CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[n+]1ccc(cc1/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)OC(=O)CCCCCCCCCCCCCCC A101000 CCCCOc1ccc(cc1Cl)c2cc(cnc2)C(=O)NCc3cccnc3N4CCOCC4 A101250 [2H]C1(C(OC(C(N1c2c(cccn2)CNC(=O)c3cc(cnc3)c4ccc(c(c4)Cl)OCCCC)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A101252 c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4 A104990 c1nc2c(nc(nc2n1[C@@H]3C[C@H](C=C3)CO)N)NC4CC4.Cl A104995 [2H]C1(C(C1([2H])[2H])Nc2c3c(nc(n2)N)n(cn3)[C@@H]4C[C@H](C=C4)CO)[2H].Cl A104997 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)NCCSS(=O)(=O)C)C)C)(F)F A105000 [2H]C1(C(C1([2H])[2H])Nc2c3c(nc(n2)N)n(cn3)[C@@H]4C[C@@H](C=C4)CO)[2H] A105002 c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)C(=O)O)N)NC4CC4 A105005 c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)N)NC5CC5 A105010 c1nc2c(nc(nc2n1[C@H]3C[C@H](C=C3)CO)N)NC4CC4 A105015 c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)O)N)NC4CC4 A105020 CC(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C(C)C)OC[C@H]2C[C@H](C=C2)n3cnc4c3nc(nc4NC5CC5)N)C(=O)OC)OC(=O)C(C)C A105030 CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C A107000 CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C A108200 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O A108490 [2H]c1c(c(c(nc1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)[2H] A108492 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A108495 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4c5cccnc5)C)C A108500 [2H]c1c(c(c(nc1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)[2H] A108502 C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)OS(=O)(=O)O A108515 C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5ccc[n+](c5)[O-])C)OS(=O)(=O)O A108520 CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C A110000 [2H]C1=C([C@@](C(C(C1=O)([2H])[2H])(C)C)(/C=C/C(=C\C(=O)O)/C)O)C([2H])([2H])[2H] A110002 CC1=CC(=O)C[C@]([C@]1(/C=C/C(=C\C(=O)OC)/C)O)(C)C#C A110010 CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C A112500 [2H]C1(C(OC(C(N1CC[C@H](CSc2ccccc2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4ccc(cc4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)c7ccc(cc7)Cl)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A112502 CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl A112550 [2H]C1(C(N(C(C(N1Cc2ccccc2c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])N[C@H](CCN(C)C)CSc6ccccc6)([2H])[2H])[2H] A112552 C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N A112580 CCCCC1CCN(CC1)CCCC(=O)c2ccccc2C.Cl A115600 CC(=O)NCCCS(=O)(=O)[O-].[Ca+2] A120000 [2H]C([2H])(C([2H])([2H])NC(=O)C)C([2H])([2H])S(=O)(=O)[O-] A120002 [2H]C([2H])([2H])C(=O)NCCCS(=O)(=O)[O-] A120003 CC1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)NC4C=C(C(C(C4O)O)O)CO A123500 [2H]C([2H])([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([2H])([2H])O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)N[C@H]4C=C([C@@H]([C@@H]([C@H]4O)O)O)CO)O)O)O)O)O A123502 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)N[C@H]4C=C([C@@H]([C@@H]([C@H]4OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C A123505 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O A123580 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O.Cl A123590 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O A123800 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CN(CC(COc2ccc(cc2C(=O)C)NC(=O)CCC)O)C(C)C)O A123890 CC(=O)OC1CN2CCC1CC2.[Cl] A130000 c1ccc(c(c1)CC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl A130400 [2H]c1c(c(c(c(c1[2H])CC(=O)O[13CH2][13C](=O)O)Nc2c(cccc2Cl)Cl)[2H])[2H] A130402 c1ccc(c(c1)CC(=O)OCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)Cl A130405 c1ccc(cc1)COC(=O)COC(=O)Cc2ccccc2Nc3c(cccc3Cl)Cl A130410 CCOC(=O)COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl A130415 COC(=O)COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl A130420 CC(=O)Nc1ccc(cc1)C(=O)O A130500 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)C(=O)O A130502 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])NC(=O)C)[2H] A130503 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)OCC(=O)O A130700 [2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)OCC(=O)O)C)[2H])[2H])Cl)[2H] A130702 c1cc2cccc3c2c(c1)C=C3 A130750 c1cc2[13c]3[13c](c1)[13cH][13cH][13cH][13c]3C=C2 A130752 CC(=O)C[C@H](c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130790 CC(=O)C[C@@H](c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130795 CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130800 [2H]c1c(c(c(c(c1C([2H])(CC(=O)C)c2c(c3ccccc3oc2=O)O)[2H])[2H])[N+](=O)[O-])[2H] A130802 CC(=O)NP(=O)(OC)SC A130850 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C.C(=C\C(=O)O)\C(=O)O A130900 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)C(=O)C)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O A130902 CC1=CC(=O)[N-]S(=O)(=O)O1.[K+] A132500 [2H]C1=C(OS(=O)(=O)[N-]C1=O)C([2H])([2H])[2H].[K+] A132502 [2H]C(=O)C([2H])([2H])[2H] A132602 C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] A132700 CC(=O)c1cccc(c1)NC(=O)C A133000 CC(=N)N.Cl A133070 [2H]C([2H])([2H])C(=N)N.Cl A133072 C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C A133100 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O)O A134300 CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2OC(=O)C)N(C)C)C(=O)OC A135000 CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2OC(=O)C)N(C)C)C(=O)OC A135005 CC(=O)N[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)c3ccccc3)C(=O)OC(C)(C)C A136260 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC(=O)C A137500 CC(=O)NC(=C)C(=O)O A137650 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCN)CO)O)O A139000 Cc1ccc(c(c1NC(=O)C)C)N A139040 B(c1cc(ccc1NC(=O)C)N)(O)O A139500 CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])N.[Na+].[Na+] A141000 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C A141500 [2H]C([2H])([2H])C(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C A141502 CC(=O)Nc1ccc(cc1)S(=O)O A141870 CC(=O)Nc1ccc(cc1)S(=O)[O-].[Na+] A141871 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)O)[2H] A141872 CC(=O)Nc1ccc(cc1)S(=O)(=O)O A141875 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)O)[2H] A141877 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)O)[2H].c1ccncc1 A141878 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)c4ccccc4 A141990 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)c4ccccc4 A142000 CC(=O)N[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1O)c3ccccc3)C(=O)OC(C)(C)C A142210 CC(=O)N[C@@H]\1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O/C1=N\O)O A142425 CC(=O)N[C@@H]1C([C@H]2[C@@H](COC(O2)c3ccccc3)OC1O)O A142500 CC(=O)Nc1ccc(c(c1)C(=O)O)C(=O)c2ccc(cc2O)N(C)C A147500 CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2O)N(C)C)C(=O)O A147505 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O A148265 C[C@H](C(=O)OC)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O A148275 CC(=O)Nc1nc2c(c(n1)Cl)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C A149500 CC(=O)N/C(=C\c1ccccc1)/C(=O)O A150000 CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3Cl A150250 [2H]C([2H])([2H])C(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3Cl A150252 CC(=O)Nc1cc2ccccc2oc1=O A150400 Cc1c(c2ccccc2c(n1)NC(=O)C)C#N A150525 Cc1ccc(c(c1NC(=O)C)C)O A150535 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)CO)O)O A150750 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O A150760 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)CO)O)O A150765 C/C(=N\C#N)/N(C)Cc1ccc(nc1)Cl A150800 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)C A150835 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1OC(=N)C(Cl)(Cl)Cl)OC(=O)c4ccccc4 A150840 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OC(=N)C(Cl)(Cl)Cl)OC(=O)C A150850 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCNC(=O)OCc2ccccc2)CO)O)O A151050 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)O)O)O A151500 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)O)O)O A151550 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)O)O)O A151570 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A151600 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O A151750 CC(=O)N[C@@H]1[C@H]([C@@H](OC1=O)[C@@H](CO)O)O A151850 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C A151900 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A151995 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A152000 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O A152250 CC(=O)Nc1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I A168180 CC(=O)Nc1cc(ccc1O)Cl A168185 CCOC(=O)C(C[N+](C)(C)C)(C(=O)OCC)NC(=O)C.[I-] A168190 CCC(C(=O)O)NC(=O)C A168195 [2H]C([2H])([2H])CC(C(=O)O)NC(=O)C A168197 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O A152500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A152580 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O A153000 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)C(=O)O)O)O A153500 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N/O)CO)O)O A155240 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C A155250 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O A156000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O A156500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H](OC([C@H]2O)O)CO)O)CO)O)O A157000 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N/OC(=O)Nc2ccccc2)CO)O)O A157245 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)O/N=C/2\[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)[2H])[2H] A157247 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O A157250 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)[2H])[2H] A157252 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)CO)O)O A157280 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)O A157310 CC(=O)N[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O A158000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)c4ccccc4)O[C@@H]2OCc5ccccc5)OCc6ccccc6)CO)O)O A158160 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)CO)O)O A158175 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O A158250 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)OC1O)O A158350 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158355 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158360 CC(=O)N[C@H]1[C@H]([C@H](OC1=O)[C@@H](CO)O)O A158370 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O A158372 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC A158375 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158376 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)COC(=O)C)OC(=O)C)OC(=O)C A158378 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)c4ccccc4)O[C@@H]2OCc5ccccc5)OCc6ccccc6)COC(=O)C)OC(=O)C)OC(=O)C A158379 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C A158380 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCNC(=O)OCc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C A158382 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)COC(=O)C)OC(=O)C)OC(=O)C A158385 CC(=O)N/C(=C\c1ccc(c(c1)OC(=O)C)OC(=O)C)/C(=O)O A158388 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)F)O A158390 CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO A158400 CC(=O)NCCCCCC(=O)O A158410 CC(=O)N[C@@H]1CN[C@H]([C@@H]1O)CO A158415 CC(=O)NCCN(C)c1ccc(c(c1)O)C(=O)c2ccccc2C(=O)O A158425 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COC(=O)C)F)OC(=O)C A158435 CC(=O)Nc1nc(=O)c-2nc(c[nH]c2n1)C=O A158440 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)Oc2ccc(cc2)[N+](=O)[O-])O A158445 CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])N=C=S.[Na+].[Na+] A158450 CC(=O)Nc1cccc2c1cccc2 A158455 CC(=O)Nc1cccc2c1cccc2S(=O)(=O)N A158460 CC(=O)Nc1cccc2c1cccc2S(=O)(=O)Cl A158465 CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3 A158470 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)NC(=O)C)[2H])[2H] A158472 CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 A158475 CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] A158480 CCCCCCC(C(=O)C)NC(=O)C A158485 CC(=O)Nc1ccccc1O A158490 CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O A158495 CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+] A158500 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+] A158502 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)Nc4ccc(cc4)NC(=O)C A161150 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)O[C@@]5([C@H]([C@@H](C([C@@H](O5)[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)Sc6ccccc6)C(=O)OC)O)COCc7ccccc7)OCc8ccccc8)NC(=O)C)OCc9ccccc9)OCc1ccccc1)OCc1ccccc1 A161160 CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A161185 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A161187 CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C A161195 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4 A161200 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COC(=O)C)OC(=O)C)OC(=O)C A161205 CC(=O)NC(CCc1c[nH]c2c1cccc2)(C(=O)O)C(=O)O A161210 CC(=O)Nc1ccc(cc1)O A161220 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O A161221 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])O)[2H] A161222 CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161223 CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)[15NH][13CH2][13C](=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161224 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161226 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)OS(=O)(=O)O A161227 CC(=O)Nc1ccc(cc1)OS(=O)(=O)[O-].[K+] A161230 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)OS(=O)(=O)[O-].[K+] A161232 CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O A161235 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C([2H])([2H])[2H])O A161237 [2H]c1c(c(c(c(c1[2H])[2H])N([2H])C(=O)C)[2H])[2H] A161352 CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 A161353 [2H]C([2H])([2H])c1nc2ccccc2c(=O)o1 A161362 CCOC(=O)[C@@H]([C@H](c1ccc(cc1)OCc2ccccc2)NC(=O)C)O A161380 CC(=O)Nc1nnc(s1)S(=O)(=O)N A161500 [2H]C([2H])([2H])C(=O)Nc1nnc(s1)S(=O)(=O)N A161502 c1ccc(c(c1)CC(=O)OCC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl A161550 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CC)n(n1)C A161600 [2H]C1(C(N(C(C(N1CC)([2H])[2H])([2H])[2H])CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] A161602 [2H]C([2H])(C([2H])([2H])O)NC(=O)CC(=O)C A161812 CC(=O)CC(=O)N(C)CCc1ccc(c(c1)OC)OC A161850 CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O[Si](CC)(CC)CC)C)OC(=O)CC(=O)C)C)OC(=O)C A161930 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)CC(=O)C A161950 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C A161960 CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)Br)C(=O)OC)OC(=O)C A162000 CC(=O)O[13C@H]1[13C@@H]([13C@H](O[13C@@H]([13C@@H]1OC(=O)C)Br)[13C](=O)OC)OC(=O)C A162002 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 A162650 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])NC(=O)NS(=O)(=O)c2ccc(cc2)C(=O)C)[2H] A162652 CC(=O)NO A163750 CC(=NOCC(=O)O)C A163810 CC(=NNc1c2ccccc2cnn1)C A163875 CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)CCO.C(=C\C(=O)O)\C(=O)O A163930 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(=O)C.C(=C\C(=O)O)\C(=O)O A163932 CC(=O)Cc1cccnc1 A164000 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C)[2H])[2H] A164017 [2H]C([2H])(CC(=O)C)C([2H])([2H])O A164022 [2H]C([2H])([2H])Oc1cc(ccc1C(=O)C)O A164092 CC(=O)OCOC(=O)C1CC(N(C1(C)C)OC(=O)C)(C)C A164125 CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)CBr A164135 [2H]C([2H])(C(COC(=O)C)COC(=O)C)C([2H])([2H])n1cnc2c1nc(nc2Cl)N A164152 CC(=O)Nc1ccc(cc1[N+](=O)[O-])OC(=O)C A164180 CC(=O)N[C@H](CSCCC(=O)COC(=O)C)C(=O)O A164250 CC(=O)OC1C[C@@H]([C@H](O1)COC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl A164255 CC(=O)c1c(cc(cc1OC(=O)C)O)O A164260 CC(=O)c1cncnc1 A164270 Cc1nnc2n1-c3ccc(cc3C(=NC2OC(=O)C)c4ccccc4)Cl A164280 CC(=O)OC1c2c(ccc(c2Cl)Cl)NC3=NC(=O)CN13 A164310 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C A164330 CC(=O)Oc1ccccc1C(=O)Oc2ccc(cc2)CCl A164360 Cc1ccc(cc1)OC(=O)c2ccccc2OC(=O)C A164365 CC(=O)OC1C(=O)Nc2ccc(cc2C(=N1)c3ccccn3)Br A164400 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)Br)C)C A164420 CC(=O)Oc1ccccc1/C=C/c2cc(ccc2Br)Cl A164450 [2H]C1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] A164487 C[C@H]([C@@H]1[C@H](NC1=O)OC(=O)C)O[Si](C)(C)C(C)(C)C A164500 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@]4([C@@]3(CCC(C4)OC(=O)C)C)O)Cl)C A164660 CC(=O)C(CCOC(=O)C)Cl A164680 Cc1ncc2n1-c3ccc(cc3C(=NC2OC(=O)C)c4ccccc4F)Cl A164700 C[C@H](C/C=C/COC(=O)C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C A164740 C/C=C/C(=O)C1=C(C(CCC1(C)C)OC(=O)C)C A164850 Cc1cc(cc(c1NC(=O)C2CCCCN2C(=O)OC(C)(C)C)C)OC(=O)C A164890 CC(=O)Oc1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3 A165000 CC(=O)OCC(=O)c1ccc(cc1F)F A165090 [2H]C([2H])([2H])N(CCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)C(=O)OC(C)Cl A165197 CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)O A165285 CC1=N/C(=C/c2cc(c(c(c2)I)OC(=O)C)I)/C(=O)O1 A165350 CC(C(C)(C)C(=O)Cl)OC(=O)C A165380 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H](C4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C A165525 CCc1c(ncc(n1)C)C(C)OC(=O)C A165570 CC(=O)OCCc1ccc(cc1)O A165595 CC(c1ccc(c(c1)F)c2ccc(cc2)OC(=O)C)C(=O)OC A165620 [2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)OC(=O)C)C(=O)OC A165622 CC(C)N(C)CCc1c[nH]c2c1c(ccc2)OC(=O)C A165625 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OC(=O)C)C([2H])([2H])N(C)C(C)C A165627 Cc1c(ncc(c1OC)CO)COC(=O)C A165630 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C A165740 CC(=O)Oc1cc(cc(c1)O)C=C A165760 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C A165790 CC(=O)Oc1c[nH]c2c1cccc2 A165850 CC1=N/C(=C\c2ccc(c(c2)OC(=O)C)I)/C(=O)O1 A165975 CC(=O)Oc1cc(cc(c1)I)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A166000 CC(=O)ON1C(CC(CC1(C)C)C(=O)OC)(C)C A166350 CC(=O)ON1C(CC(C1(C)C)C(=O)OC)(C)C A166380 CC(=O)Oc1ccc(c(c1)OC)OCC#N A166490 CC(=O)OCOC(COC(=O)c1ccccc1)COC(=O)c2ccccc2 A166570 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)c1ccccc1)OCOC(=O)C)OC(=O)c2ccccc2 A166572 CC(=O)c1ccc(c(c1)COC(=O)C)OC(=O)C A166600 CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4C[C@@H](C5=O)OC(=O)COC(=O)C)C)C A166650 CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4C[C@@H](C5=O)OC(=O)C)C)C A166660 CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CCC5=O)C)C A166670 CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC=C5OC(=O)C)C)C A166680 CC(=O)N1C(CCC1=O)COC(=O)C A166750 Cc1c(cccc1OC(=O)C)C(=O)O A166960 Cc1c(cccc1OC(=O)C)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO)O A166975 Cc1c(cccc1OC(=O)C)C(=O)Cl A166990 CC(=O)OCc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl A167125 CC(=O)OCc1ncc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4F)Cl A167135 Cc1c(ncc(c1Cl)COC(=O)C)C A167190 Cc1c([n+](cc(c1Cl)COC(=O)C)[O-])C A167200 Cc1cc(cnc1C)COC(=O)C A167235 Cc1cc(c[n+](c1C)[O-])COC(=O)C A167240 CC(=O)OCc1ccc(o1)C=O A167500 CC(=O)O[13CH2][13c]1[13cH][13cH][13c](o1)[13CH]=O A167502 CC(=O)OCc1ccc(o1)C(=O)O A167520 CC(=O)O[13CH2][13c]1[13cH][13cH][13c](o1)[13C](=O)O A167522 Cc1c(ncc(c1OC)C(=O)OC)COC(=O)C A167525 Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)COC(=O)C A167530 C[C@@H](CCC(=O)O)COC(=O)C A167540 CC(=O)OCN(CCCC(=O)c1cccnc1)N=O A167550 CC(=O)OC1(CC(=O)OC(=O)C1)C A167565 CC(=O)OC(C)(C)CO A167575 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])OC(=O)C A167577 CC(=O)OCC(=O)C=C A167585 CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)OC(=O)C)c2ccccc2[N+](=O)[O-])C(=O)OC A167625 [2H][13C]([2H])([2H])[13C](=O)O A167642 [2H]C([2H])([2H])[13C](=O)O A167643 [2H][13C]([2H])([2H])C(=O)O A167644 CC(=O)Oc1cc(ccc1C(OC(=O)C)OC(=O)C)[N+](=O)[O-] A167645 CC(=O)OC1c2ccccc2N(c3ccccc3C1=O)C(=O)N A167650 CC(=O)OC1CCCCS1 A167660 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC(=O)C A167680 CC(=O)O[C@@H](c1ccnc2c1cc(cc2)OC)[C@H]3C[C@@H]4CC[N@]3CC4=O A167700 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2ccc(cc2)OC(=O)C)/c3ccccc3 A167775 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)COC(=O)C)(C)C)O A167800 CC(=O)ON1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C A167880 CC(=O)ON1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A167900 Cc1cnc(c(c1OC(=O)C)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC A167910 Cc1cnc(c(c1OC(=O)C)C)CSc2[nH]c3ccc(cc3n2)OC A167915 CC(=O)N1CCC(CC1)/C(=N\OC(=O)C)/c2cc(ccc2O)F A167950 CC(=O)NC(CCc1ccc(cc1Cl)Sc2cccc(c2)OCc3ccccc3)(COC(=O)C)COC(=O)C A167970 [2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)OCC=C)NC(=O)C)O A167982 CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)COC(COC(=O)C)COC(=O)C A167985 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CC=C2C1)O)C)C A167990 CC(=O)Nc1nc2c(c(n1)O)ncn2COCCOC(=O)C A167995 [2H]C([2H])(C([2H])([2H])OC(=O)C)OCn1cnc2c1nc(nc2O)NC(=O)C A167997 CC(=O)n1cc(c2c1cccc2)OC(=O)C A168010 CC(=O)Nc1nc2c(c(n1)O)ncn2COCCO A168015 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CC=C2C1)O[Si](C)(C)C(C)(C)C)C)C A168020 CC(=O)n1cc(cc1c2ccccc2)OC(=O)C A168030 CCCSC[C@H](C(=O)O)NC(=O)C A168035 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C A168037 CC(=O)NCCSC[C@@H](C(=O)O)NC(=O)C A168040 CC(=O)N[C@@H](CSCCC(=O)O)C(=O)O A168045 [2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A168047 CC(=O)N[13CH]([13CH2]SCCC(=O)O)[13C](=O)O.C1CCC(CC1)NC2CCCCC2 A168048 CC(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 A168050 [2H]C(C(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)([2H])[2H] A168052 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A168060 CC(=O)NCCC(=O)O A168070 CC(=O)NCCC(=O)ON1C(=O)CCC1=O A168075 CC(=O)N[C@H](CSCC=C)C(=O)O A168100 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC=C)C(=O)O A168102 CC(=O)Nc1nnc(s1)S A168105 [2H]C([2H])([2H])C(=O)Nc1nnc(s1)S A168107 CC(=O)Nc1c(c(c(c(c1I)C(=O)Cl)I)C(=O)Cl)I A168110 CC(=O)c1ccc(c(c1)C#N)N A168115 CC(=O)Nc1c([nH]c(=O)n(c1=O)C)N.O A168125 [2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)NC(=O)C.O A168127 CC(=O)N[C@@]1(CCc2c(ccc(c2C1)OC)OC)[13C](=O)O A168137 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)O)Cl)NC(=O)C A168147 CC(=O)N[C@@H]1C=C(O[C@@H]([C@@H]1O)[C@@H]([C@@H](CO)O)O)C(=O)O A168160 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OC[C@@H](C(=O)OCC(=O)c4ccccc4)NC(=O)OCC5c6ccccc6-c7c5cccc7)OC(=O)c8ccccc8 A168165 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)NC(=O)C)[2H])[2H] A168172 CC(=O)Nc1ccc(c(c1)Cl)O A168175 CC(=O)N[C@@H]1[C@H](C([C@](OC1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)Sc2ccccc2)OC(=O)C A168200 CC(=O)N[C@@H]1[C@H](C([C@](OC1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)Sc2ccccc2)OC(=O)C A168205 CC(=O)Nc1c([nH]c(=O)n(c1=O)C)NC=O A168210 [2H]C([2H])([2H])C(=O)Nc1c([nH]c(=O)n(c1=O)C)NC=O A168212 [2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)NC=O)NC(=O)C A168213 CC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O)O A172170 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)OC)O A172190 CC(=O)NC1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])O.[Na+] A172200 CC(=O)N1Cc2c(cccc2O)C=C1 A172280 CC(=O)OC1C[C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3 A173500 CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C A173510 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C A173515 CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)c3ccccc3C2=O)OC(=O)C A173525 CC(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179075 [2H]C([2H])([2H])C(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179077 CC(CCO)SC[C@H](C(=O)[O-])NC(=O)C.C1CCC(CC1)[NH2+]C2CCCCC2 A179125 [2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179127 CC(=O)N[C@H](CSCC(C(=O)N)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179130 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C(=O)N)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179132 CC(=O)NCCc1c[nH]c2c1cc(cc2)O A179160 CC(=O)/N=c/1\n(nc(s1)S(=O)(=O)O)C A179170 [2H]C([2H])([2H])n1/c(=N\C(=O)C)/sc(n1)S(=O)(=O)O A179172 CC1=C(c2ccccc2/C(=N/C(=O)C)/C1)C#N A179180 CC(=O)OC1C=CC(=O)CO1 A187495 CC(=O)N1CCN(CC1)c2ccc(cc2)Oc3cc(ccc3OCC4COC(O4)(Cn5ccnc5)c6ccc(cc6Cl)Cl)N7CCN(CC7)C(=O)C A187500 CC(=O)OCC(CC#N)Cc1cccc(c1)OC A187505 CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O)O A187510 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC=C4[C@H]3CCC5=CC(=O)C=C[C@@]54C)C)OC(O2)(C)C A187515 CC(=O)Oc1cccc2c1c(c[nH]2)CCN(C)C.C(=C/C(=O)O)\C(=O)O A187520 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OC(=O)C)C([2H])([2H])N(C)C.C(=C/C(=O)O)\C(=O)O A187522 CC(=O)c1ccc(c2c1cccn2)OCc3ccccc3 A187525 CC(=O)c1ccc(c2c1ccc(=O)[nH]2)OCc3ccccc3 A187530 CC(=O)c1ccc(c2c1ccc[n+]2[O-])OCc3ccccc3 A187535 CCS[C@@]1(C([C@@H]([C@H](C(O1)[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)Sc2ccccc2)C(=O)OC A168215 CC(=O)N[C@@H]1C[C@@H](C=C1)C(=O)OC A168245 CCOC(=O)c1ccc(c(c1)O)NC(=O)C A168250 C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC(=O)C A168260 CC(=O)Nc1ccc(cc1C(=O)OC)OCc2ccccc2 A168270 CC(=O)Nc1ccc(cn1)c2ccccc2 A168290 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)S(=O)(=O)c4ccc(cc4)NC(=O)C)O)(C)O)C)C)C)O)(C)O A168295 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)N(C)[C@H]2C[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]3(C)O)C)C)C)O)(C)O)CC)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)C)[2H] A168297 CC(=O)Nc1cc2cccc3c2c(c1)C(=O)N(C3=O)CCN(C)C A168300 [2H]C([2H])([2H])N(CCN1C(=O)c2cccc3c2c(cc(c3)NC(=O)C)C1=O)C([2H])([2H])[2H] A168302 C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC(=O)C)O A168310 CC(=O)Nc1ccc(c(c1)C(=O)O)O A168320 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)C(=O)O)O A168322 CC(=O)Nc1ccc(c(c1)O)C(=O)O A168325 CC(=O)Nc1ccccc1 A168330 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)C)[2H])[2H] A168332 CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 A168333 Cc1cccc(c1)NC(=O)C A168335 CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)COP(=O)(OCCC#N)OCCC#N A168350 CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)CO A168370 CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)COC(c3ccccc3)(c4ccccc4)c5ccccc5 A168390 CC(=O)c1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C A168395 CC(=O)c1ccc2cc3ccccc3cc2c1 A168400 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)OC(=O)C A168405 C/C=C/1\C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)OC(=O)C A168410 CC[C@@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@@H](C(=O)C)C(=O)N4[C@@H](COC4=O)c5ccccc5 A168415 CC(=O)O[C@H]1CC(=C[C@H]([C@H]1OC(=O)c2ccccc2)OC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)C(=O)OC A168420 CC(=O)OC1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OC(=O)c5ccccc5 A168425 [2H]C([2H])([2H])C(=O)N[C@@H](CSCc1ccccc1)C(=O)O A168427 CC(=O)N[C@H](CSCc1ccccc1)C(=O)O A168428 CC(=O)NC(Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O A168430 CC(=O)N[C@H](Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O A168431 CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N A168435 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] A168437 [2H]C([2H])([2H])C(=O)C([2H])([2H])CCC(=O)O A168442 CC(=O)c1ccc2cc(ccc2c1)N(C)C A168445 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](CO[C@H](O2)c3ccc(cc3)OC)O[C@@H]1OC)O A168450 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C A168480 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C A168495 [2H]C1=C2[C@](C=CC1=O)([C@@]34[C@@H](O3)C[C@]5([C@H]([C@@H]4CC2([2H])[2H])C[C@H]([C@@]5(C(=O)C([2H])([2H])OC(=O)C)O)C)C)C A168497 C[C@H](CC=O)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C A168650 CC(=O)Nc1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 A168700 CC(=O)ON1CC(=O)c2c1ccc(c2Cl)Br A168765 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2c[nH]c3c2cc(cc3)Br)O.[Na+] A168800 C1CNCCc2c1nc(s2)N A168935 C1CNCCc2c1nc(s2)N A168936 CC(=O)OCC1COCC(O1)COCc2ccccc2 A169450 CC(=O)Nc1cc(ccc1C(=O)CCl)Cl A169490 CC(=O)c1ccccc1C(=O)O A169550 CC(=O)N=C1C=CC(=O)C=C1 A170000 CC(=O)c1cc2ccccc2s1 A170325 C[13C](=O)C1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2OC1=O)CC[C@@H]4OC(=O)c5ccccc5)C)C A170502 CC(=O)N1CCC(CC1)C(=O)c2ccccc2 A170625 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O A170802 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OCc2ccccc2)O A170805 CCOC(=O)C(CCc1ccc(cc1Cl)Br)(C(=O)OCC)NC(=O)C A170940 CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl A170950 [2H]c1c(c(c(c(c1N([2H])C(=O)C)[2H])[2H])S(=O)(=O)Cl)[2H] A170952 CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)S(=O)(=O)Cl A170953 CC(=O)Nc1ccc(cc1)/N=C(\C)/N(C)C A170965 [2H]C([2H])([2H])N(/C(=N/c1ccc(cc1)NC(=O)C)/C)C([2H])([2H])[2H] A170967 CC(=O)c1cccc(c1)C(=O)c2ccccc2 A170975 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cccc(c2)C(=O)C)[2H])[2H] A170977 CC(=O)c1cc(ccc1O)C[C@@H](C(=O)OC)NC(=O)OCc2ccccc2 A171010 CC(=O)c1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 A171020 CC(C)[C@@H](C(=O)OCC(COC(=O)C)OCn1cnc2c1nc([nH]c2=O)N)NC(=O)OCc3ccccc3 A171090 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)OCn2cnc3c2nc([nH]c3=O)N)OC(=O)C A171092 C/C=C(/c1ccc(cc1)OC(=O)C)\C(=C/COC(=O)C)\c2ccc(cc2)OC(=O)C A171125 CC(=O)NCCc1cn(c2c1cc(cc2)OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C A171135 [2H]C([2H])([2H])C([2H])([2H])C(C(=O)C)C(=O)OCC A171152 CC(=O)NCCc1cn(c2c1cc(cc2)O)C(=O)OC(C)(C)C A171155 CC(=O)NCCc1cn(c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C A171160 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC(=O)OC(C)(C)C A171165 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@@H](O[C@H](CC(=O)O1)[C@@H](C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)OC5CC[C@@H]([C@H](O5)C)N(C)C A171170 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@@H](O[C@H](CC(=O)O1)[C@@H](C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)OC5CC[C@@H]([C@H](O5)C)NC A171180 CC(=O)C1CCOC1=O A171250 [2H]C1(C(C(=O)OC1([2H])[2H])C(=O)C)[2H] A171252 CC(=O)Oc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC A171795 CC(=O)Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC A171800 CC(=O)N[C@H](CSCCC(=O)N)C(=O)O A171870 [2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(=O)N)C(=O)O A171872 CCOC(=O)n1cc(c2c1cc(c(c2)OC)C(=O)C)CCNC(=O)C A171960 CCOC(=O)C(CCc1c[nH]c2c1cccc2)(C(=O)OCC)NC(=O)C A172000 CC(CC(=O)[O-])SC[C@@H](C(=O)[O-])NC(=O)C.[Na+].[Na+] A172005 [2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CC(=O)[O-])C(=O)[O-].[Na+].[Na+] A172007 CC(CSC[C@H](C(=O)O)NC(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172010 [2H]C([2H])([2H])C(=O)N[C@H](CSCC(C)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172012 CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O A172015 CCOC(=O)C(C)CSC[C@H](C(=O)O)NC(=O)C A172020 [2H]C([2H])([2H])C(=O)N[C@H](CSCC(C)C(=O)OCC)C(=O)O A172022 CC(=O)c1cnc(cn1)Cl A172025 CC(=O)C1(CCOC1=O)Cl A172030 CC(=O)NC(CCl)C(=O)OC A172035 CC(=O)N[C@@H](CCl)C(=O)OC A172038 CC(=O)N1CCC(CC1)C(=O)c2ccc(cc2)Cl A172043 CC(=O)N1CCC(CC1)C(=O)c2ccc(cc2)Cl.Cl A172045 [2H]C([2H])([2H])[N+](CCOC(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-] A172052 CC(=O)OCC[N+](C)(C)C.[Cl-] A172060 [2H]C([2H])([2H])[N+](CCOC(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] A172062 CC(C(=O)c1ccc2c3cc(ccc3n(c2c1)C(=O)C)Cl)Cl A172065 CC(=O)O[C@H]1C=C[C@H]2[C@@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)OC A172070 CC(=O)N[C@H](CSCC(C#N)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172075 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C#N)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172077 CC(=O)N[C@@H](CSC(CO)C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172080 [2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172082 CCOC(=O)C(Cc1ccc(cc1)C(=O)c2ccccc2)(C#N)NC(=O)C A172085 [2H]C([2H])([2H])C(=O)N[C@@H](CSCCC#N)C(=O)O A172087 CC(=O)N[C@H](CSCCC#N)C(=O)O A172088 CC(=O)N1CCC(CC1)C#N A172090 CC(=O)N[C@@H](CS)C(=O)O A172091 [2H]C([2H])([2H])C(=O)N[C@@H](CS)C(=O)O A172092 CC(=O)N[C@H](CS)C(=O)OCC=C A172095 CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)[O-])NC(=O)C)O.[Na+] A172100 [2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)[O-])NC(=O)C)O.[Na+] A172102 CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)OC)NC(=O)C)O A172110 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)C(=O)C A173542 CC(=O)N(C)CC/C=C/1\c2ccccc2COc3c1cccc3 A173545 C[C@@H]([C@H](c1cnc2c(n1)c(=O)[nH]c(n2)NC(=O)C)OC(=O)C)OC(=O)C A173560 CC(=O)N[C@H](CSC=C(Cl)Cl)C(=O)O A173580 [2H]C([2H])([2H])[13C](=O)N[C@@H](CSC=C(Cl)Cl)C(=O)O A173582 CC(=O)N[C@H](CS/C(=C/Cl)/Cl)C(=O)O A173585 [2H]C([2H])([2H])[13C](=O)N[C@@H](CS/C(=C/Cl)/Cl)C(=O)O A173587 CCC(CC)C(C(=O)O)NC(=O)C A173630 CC/C(=C(/CC)\c1ccc(cc1)OC(=O)C)/c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A173650 CC(=O)N1CCN(CC1)Cc2ccc(cc2F)F A173655 [2H]C1(C(N(C(C(N1Cc2ccc(cc2F)F)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H] A173657 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O A173660 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O A173665 CC(=O)N1CC(=O)c2c1nccc2 A173675 CC1Cc2cc(ccc2N1C(=O)C)OC A173680 CC1Cc2cc(ccc2N1C(=O)C)O A173685 CC([C@]1(C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)OC(=O)C)O)O A173690 CC(=O)N[C@H](CSCCC(CO)O)C(=O)O A173710 [2H]C([2H])(C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C)C([2H])(C([2H])([2H])O)O A173712 CC([C@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)OC(=O)C)O)O A173720 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C3COC(O3)(C)C)OC(O2)(C)C A173735 CC(=O)[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C)C A173740 CC(=O)OC1=C(O[C@H]2[C@@H]1OC(O2)(C)C)C3COC(O3)(C)C A173745 Cc1ccc(c(c1)C)SC[C@@H](C(=O)O)NC(=O)C A173750 [2H]C([2H])([2H])C(=O)NC(CSc1ccc(cc1C)C)C(=O)O A173752 Cc1ccc(cc1C)SC[C@@H](C(=O)O)NC(=O)C A173755 [2H]C([2H])([2H])C(=O)N[C@@H](CSc1ccc(c(c1)C)C)C(=O)O A173757 CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A173760 CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC3(O[C@@H]4[C@@H]([C@H]([C@@H](O[C@@H]4O3)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC5(O[C@H]6[C@H]([C@@H]([C@H](O[C@H]6O5)COC(=O)C)OC(=O)C)OC(=O)C)C A173765 Cc1ccc(c(c1)SC[C@@H](C(=O)O)NC(=O)C)C A173770 [2H]C([2H])([2H])C(=O)N[C@@H](CSc1cc(ccc1C)C)C(=O)O A173772 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A173775 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC2CO2 A173780 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2C(=O)C)NC(=O)CCC)[2H] A173782 CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C A173787 CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2 A173790 CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2 A173792 CC(=O)O[C@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(cc2)F)c3ccc(cc3)O)c4ccc(cc4)F A173795 [2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)O)[2H])[2H])F)[2H] A173797 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)[C@@H]3[C@H](C(=O)N3c4ccc(cc4)F)CC[C@H](c5ccc(cc5)F)OC(=O)C)C(=O)OC)OC(=O)C A173800 [2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)[2H])[2H])F)[2H] A173802 [2H]C([2H])([2H])[C@H](CCCC)CC(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCC(C(=O)OC)[Se]c2ccccc2)OC(=O)C)OC3CCCCO3 A173817 CCc1cccc2c1oc(c2)C(=O)C A173820 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C A173825 CCSC[C@H](C(=O)O)NC(=O)C A173830 [2H]C([2H])([2H])C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C A173832 C[C@H]([C@H](c1ccccc1)O)N(C)C(=O)C A173850 [2H]C([2H])([2H])C(=O)N(C)[C@H](C)[C@H](c1ccccc1)O A173852 C[C@@H]([C@@H](c1ccccc1)O)N(C)C(=O)C A173860 CC(=O)N1CC1 A174000 [2H]C1(C(N(C(=O)N1)C(=O)C)([2H])[2H])[2H] A174602 CC(=O)N(Cc1ccccc1O)CC(OC)OC A174800 CCOC(=O)C(C)(Cc1ccc(c(c1)OC)OC)NC(=O)C A174840 CC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 A175000 CC(c1ccc(c(c1)F)c2ccc(cc2)C(=O)C)C(=O)OC A175825 [2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)C(=O)C)C(=O)OC A175827 CC(=O)N1CCC(CC1)/C(=N\O)/c2cc(ccc2O)F A175850 CC(=O)NCCO/N=C(\CCCC(=O)O)/c1ccc(cc1)C(F)(F)F A175900 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])NCc2c[nH]c-3nc(nc(=O)c3n2)NC(=O)C)[2H] A176002 CC(=O)OCCOCn1cnc2c1nc(nc2Cl)NC=O A176020 CC(=O)n1cc(c2c1nccc2)C=O A176040 CC(=O)NCCC(=O)c1cc(ccc1NC=O)OC A176100 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O A177000 CC(=O)OC[C@@H]1[C@H](C([C@@H](O1)n2ccc(nc2=O)N)(F)F)O A177500 CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O[Si](C)(C)C(C)(C)C)O A177740 CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A177750 CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O[Si](C)(C)C(C)(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A177760 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178000 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178002 CC(=O)N[13C@@H]1[13C@H]([13C@@H]([13C@H](O[13CH]1O)[13CH2]O)O)O A178003 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178200 CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)O)O A178205 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O)O.[Na+] A178210 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O)O.[Na+] A178212 CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)OC(=O)C)OC(=O)C A178215 CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)O)OC(=O)C A178220 CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)OC(=O)C)O A178225 C[C@@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C A178230 CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-].[Na+].[Na+] A178235 [2H]C([2H])([2H])C(=O)NC(CCP(=O)(C)[O-])C(=O)[O-].[Na+].[Na+] A178237 CC(=O)N(CC(=O)O)CP(=O)(O)O A178245 CC(=O)[15N](CP(=O)(O)O)[13CH2][13C](=O)O A178247 [2H]C([2H])([2H])C(=O)N(CC(=O)O)CP(=O)(O)O A178248 CC(=O)Nc1[nH]c2c(c(=O)n1)[nH]cn2 A178250 CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2c(c1)[C@@H]3[C@@H](CC2)N(CCO3)C(=O)C A178275 CC(=O)OCC[C@@H](C(=O)O)N.Cl A178300 CC(=O)NC(CCc1c[nH]c2c1cccc2)C(=O)O A178400 CCOC(=O)C(CCc1c[nH]c2c1cccc2)NC(=O)C A178500 CC(=O)N[C@H](CSC/C=C\CO)C(=O)O A178645 [2H]C([2H])([2H])C(=O)N[C@@H](CSC/C=C\CO)C(=O)O A178647 CC(=O)N[C@H](CSC/C=C/CO)C(=O)O A178650 [2H]C([2H])([2H])C(=O)N[C@@H](CSC/C=C/CO)C(=O)O A178652 CC(=O)N[C@H](CSC/C=C/CO)C(=O)OC A178660 C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C A178850 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)O)O)C)O A178875 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O A178877 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)O)C)O A178880 [2H][C@]12[C@@H](C[C@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O A178882 C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)O A178890 CC(=O)N[C@@H](CSCCO)C(=O)O.C1CCC(CC1)NC2CCCCC2 A178911 [2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2 A178912 CC(=O)n1cc(c2c1cccc2)O A178950 CCCC(=O)Nc1ccc(c(c1)C(=O)C)O A178975 CC(=O)N[C@H](CSC(CO)C(=O)N)C(=O)OC(C)(C)C A178985 CC(=O)N[C@H](CSCC(C(=O)N)O)C(=O)OC(C)(C)C A178990 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C=CC4=O)C)C A178995 CC(=O)N[C@H](CSCC(C=C)O)C(=O)O.CC(=O)N[C@H](CSC(CO)C=C)C(=O)O A179005 [2H]C(=C([2H])C([2H])(C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C)O)[2H].[2H]C(=C([2H])C([2H])(C([2H])([2H])O)SC[C@H](C(=O)O)NC(=O)C)[2H] A179007 CC(=O)N[C@H](CSCC(C)(C=C)O)C(=O)O A179015 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C)(C=C)O)C(=O)O A179017 CC(=C)C(CO)SC[C@H](C(=O)O)NC(=O)C.CC(=C)C(CSC[C@H](C(=O)O)NC(=O)C)O A179020 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C(=C)C)O)C(=O)O.[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)C(=C)C)C(=O)O A179022 CC(=O)N[C@H](CSC(CO)c1ccccc1)C(=O)O A179025 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(c1ccccc1)O)C(=O)O.[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)c1ccccc1)C(=O)O A179027 CC(=O)N1CCN(CC1)c2ccc(cc2)O A179045 [2H]C1(C(N(C(C(N1c2ccc(cc2)O)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H] A179047 CC(CSC[C@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2 A179060 [2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A179062 CC(=O)c1cc2ccccc2[nH]1 A179250 CC(=O)N1CCN(CC1)c2ccc(cc2)OCOC A179255 CC(=O)N[C@@H](Cc1ccc(c(c1)I)Oc2ccc(cc2)OC)C(=O)N A179360 CC(=O)N[C@H](Cc1ccc(c(c1)I)O)C(=O)N A179410 CC(=O)N[C@H](Cc1ccc(c(c1)I)O)C(=O)O.O A179425 C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)OC(=O)C A179500 CC(=O)NNC(=O)c1ccncc1 A179520 [2H]c1c(nc(c(c1C(=O)NNC(=O)C)[2H])[2H])[2H] A179522 CC(=O)N1CCC(CC1)C(=O)O A179540 CC(=O)N1CCC(CC1)C(=O)Cl A179550 CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3ncnc4N)OC(O2)(C)C A179575 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(CO)O)OC(O2)(C)C A179640 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(O2)(C)C A179730 CC(=O)Oc1cc(ccc1OC)C=O A179735 Cc1ccc(c(c1)C)SCC(C(=O)O)NC(=O)C A179749 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)OC(O2)(C)C A179760 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O A180000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O)O.[Na+].[Na+] A184990 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A185000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O.[Na+] A185010 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)COC(=O)C)Cl A185300 Cc1ccc(c(n1)C)C(=O)C A185500 CC(=O)N[C@@H](CCCCN)C(=O)O A185540 CC(=O)N[C@@H](CCCCN)C(=O)N.Cl A185550 CC(=O)OC1CC(=O)OC1=O A185850 CC(=O)O[C@@H]1CC(=O)OC1=O A185865 CC(=O)O[C@@H]1CC(=O)OC1=O A185870 CC(=O)O[C@@H](c1ccccc1)C(=O)O A185960 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A186199 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A186200 CC(=O)N[13C@H]1[13C@H]([13C@@H]([13C@H](O[13CH]1O)[13CH2]O)O)O A186202 CC(=O)N[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C)C A186250 CC(=O)[O-].c1cc(ccc1N2C(=O)C=CC2=O)[Hg+] A186280 CC(=O)[O-].c1cc(ccc1NC(=O)/C=C\C(=O)O)[Hg+] A186290 CC(=O)NCCc1cc(c(c(c1)OC)OC)OC A186300 [2H]C([2H])([2H])C(=O)NCCc1cc(c(c(c1)OC)OC)OC A186302 CC[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186320 CC[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186325 [2H]C([2H])([2H])C[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186327 CC(=O)NC(CCSC)C(=O)OC A186350 CC(=O)NCCC(=O)c1cc(ccc1N)OC.Cl A186500 CCOC(=O)CCCOc1cc(c(cc1OC)C(=O)C)[N+](=O)[O-] A186515 CCOC(=O)CCCOc1ccc(cc1OC)C(=O)C A186530 CC(=O)N(C)CCCC(c1cccnc1)O A186560 CC(=O)N(C)CCCC(c1cccnc1)O A186562 CC(=O)N(C)CCCC(=O)c1cccnc1 A186585 Cc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)C A186610 CC(=O)N[C@H](CSC(=O)NC)C(=O)O A186625 [2H]C([2H])([2H])C(=O)N[C@@H](CSC(=O)NC)C(=O)O A186627 CC(=O)N[C@@H](CSC)C(=O)O A186640 [2H]C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C A186642 CC(=O)NC(C)(Cc1ccc(c(c1)OC)OC)C(=O)O A186650 C[C@H](c1ccccc1)N.CC(=O)N[C@](C)(Cc1ccc(c(c1)OC)OC)C(=O)O A186660 CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 A186680 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O A186700 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O A186705 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC)OC(=O)C A186720 CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)C A186750 Cc1ccc(cn1)C(=O)C A186790 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)c4c3ccc(c4)OC)C A186820 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OC)C A186830 CCN(CC)CCNC(=O)c1cc(c(cc1OC)NC(=O)C)Cl A186860 [2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCCN(CC)CC)Cl)NC(=O)C A186862 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O A186900 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O A186902 CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A186905 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A186907 CC(c1ccc2ccccc2c1)c3ccccc3C(=O)C A186970 CC(=O)N(C)C[C@@H](c1cccc(c1)O)O A186985 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O A187000 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O A187002 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)OC(=O)C A187030 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)OC(=O)C A187032 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O A187250 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O A187252 Cc1ccc(c(c1NC(=O)C)C)[N+](=O)[O-] A187260 CC(=O)O[C@]12CCC(=O)[C@H]3[C@@]14CCN[C@@H]2Cc5c4c(c(cc5)OC)O3.Cl A187270 [2H]C\1=C2[C@](CC(/C1=N\OC(=O)C)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H] A187282 CC(=O)OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@@H]4[C@@H](O4)[C@H](C2)N3 A187285 CC(=O)N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)OC(=O)C)OC(=O)C A187290 CC(=O)N1CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC A187295 [2H]C([2H])([2H])C(=O)N1CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC A187297 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CC[C@@H](C4)O)C)C A187300 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C A187305 CC(=O)Oc1ccccc1C(=O)Oc2cccc(c2)CO A187310 CC(=O)OCC(=O)Nc1c(c(c(c(c1I)C(=O)Cl)I)C(=O)Cl)I A187315 CC(=O)O[C@]12CCC(=O)[C@H]3[C@@]14CCN([C@@H]2Cc5c4c(c(cc5)OC)O3)C A187320 CC(=O)O[C@H]1C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)CO)OC2CCCCO2 A187325 CC(=O)Nc1ccc(c(c1)OC)OC(=O)C A187330 CC(=O)OC1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)OCc2ccccc2)C=O)OC3CCCCO3 A187335 C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)F A187340 CCCCCCCCc1ccc(cc1)CC[C@@](CO)(COC(=O)C)NC(=O)OCc2ccccc2 A187345 CC1=C(C(CCC1OC(=O)C)(C)C)C(=O)CC(C)OC A187350 Cc1cnc(c(c1OC(=O)C)C)CS(=O)c2[nH]c3ccc(cc3n2)OC A187355 CC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)O A187360 CC(=O)N[C@@H](C(=O)O)C(C)(C)S A187365 CC(=O)C(C#N)c1ccccc1 A187370 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C A187375 CC(=O)N[C@H](Cc1ccccc1)C(=O)O A187380 C[C@H](c1ccc(cc1)C(=O)C)NC(=O)C A187385 CC(=O)c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O A187390 CC(=O)N[C@@H]1C[C@@H](C=C1)COC(=O)C A187395 CC(C)C(=O)c1ccc(cc1)C(=O)C A187400 CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C A187405 CC(=O)c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A187410 CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C A187415 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C A187420 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2(C1C(=O)COC(=O)C)C)C A187425 CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C A187430 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)Br)C)F A187435 CC(=O)O[C@H](CC(c1ccccc1C(=O)OC)Br)c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl A187440 CC(=O)O[C@H]1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)OCc2ccccc2)CO)OC3CCCCO3 A187445 CCCCC(C(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCc2ccccc2)OC(=O)C)OC3CCCCO3)(F)F A187450 CC(=O)OCC(=O)[C@]1([C@@H](C=C2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)O A187455 CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]([C@]4(C[C@@H]([C@@H]3[C@]2(CC1)C)O)C)(C(=O)COC(=O)C)O A187460 CC(=O)c1cc(ccc1O)CCOC(=O)C A187465 C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)COC(=O)C)C)C)F A187470 CC(=O)OCCN1C(=O)c2ccccc2C1=O A187475 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)COC(=O)C)(C)C)O A187480 CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)O)O A187485 CC(=O)O[C@H]1CN([C@@H]([C@H]([C@@H]1OC(=O)C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)COCc7ccccc7)C(=O)OCc8ccccc8 A187545 CC(=O)c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3 A187565 CC(=O)N1CCC[C@@H]1C(=O)O A187590 CC(=O)c1cccnc1 A187600 CC(=O)N[C@@H](CSCc1ccc(cc1)c2ccccn2)C(=O)O A187620 [2H]C([2H])([2H])C(=O)N[C@@H](CSCc1ccc(cc1)c2ccccn2)C(=O)O A187622 CC(=O)C1=NCCC1 A187650 [13CH3][13C](=O)C1=NCCC1 A187652 CC(=O)c1ccc(c2c1ccc(=O)[nH]2)O A187660 CCC(=O)NCC[C@@H]1CCc2c1c3c(c(c2)C(=O)C)OCC3 A187675 CC(=O)Oc1ccc(cc1)/C=C\c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O A187690 CC(=O)Oc1cc(cc2c1C(=O)c3c(cccc3O)C2=O)C(=O)O A187700 CC(=O)Oc1cccc2c1C(=O)c3c(cc(cc3O)C(=O)O)C2=O A187705 CC(=O)ONC(=O)c1ccccc1O A187725 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)C A187735 CC(=O)c1ccc(c(c1)C(=O)OC)O A187755 [13CH2]=[13CH][13C]#N A191372 C=CC(=O)Nc1ccc(cc1)[Hg+].[Cl-] A191380 C=CC(=O)NCCCCc1ccc2ccc3cccc4c3c2c1cc4 A191475 CC(=O)Nc1ccc(cc1)CC(=O)O A191700 [2H]c1c(c(c(c(c1CC(=O)O)[2H])[2H])NC(=O)C)[2H] A191702 CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO A192000 c1nc2c(n1COCCO)nc(nc2O)N A192400 [2H]C([2H])(C([2H])([2H])OCn1cnc2c1nc(nc2O)N)O A192402 CC(=O)OCCOCn1cnc2c1nc(nc2O)N A192410 CCN[C@@H](C(C)C)C(=O)OCCOCn1cnc2c1nc(nc2O)N.Cl A192415 CC[C@H](C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)N A192420 CC(C)C[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)N)N.Cl A192425 [2H]C([2H])(C([2H])([2H])OC(=O)[C@H](CC(C)C)N)OCn1cnc2c1nc([nH]c2=O)N.Cl A192427 CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC.Cl A192430 c1nc2c(n1COCCOP(=O)(O)O)nc(nc2O)N A192500 C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)C(=O)N A207900 [2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])C(=O)N)([2H])[2H] A207902 CC(=O)Oc1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A187775 CC(=O)Oc1ccccc1C(=O)O A187780 [2H]c1c(c(c(c(c1[2H])C(=O)O)OC(=O)C)[2H])[2H] A187782 CC(=O)Oc1ccccc1C(=O)OC(=O)c2ccccc2OC(=O)C A187785 CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O A187788 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O A187790 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C)C A187795 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C A187800 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)OC(=O)C)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C A187805 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 A187810 CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)S(=O)(=O)Nc2ncccn2 A187813 CC(=O)N[C@H](Cc1cc(c(cc1F)F)F)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2 A187815 [2H]C([2H])([2H])C(=O)N[C@H](Cc1cc(c(cc1F)F)F)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2 A187817 Cc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)NC(=O)C A187820 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nccc(n2)C)[2H] A187822 CC(=O)OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@@H]4[C@@H](O4)[C@H](C2)N3C.Br A187825 CC(=O)NCCc1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A187830 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2c(c(ncn2)OC)OC A187840 Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)NC(=O)C)C A187850 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nc(cc(n2)C)C)[2H] A187852 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NC(=O)C A187885 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2cc(on2)C)[2H] A187886 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 A187910 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2ccccn2)[2H] A187912 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nccs2)[2H] A187976 CC(=O)NC1[C@H](C=C(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C A188350 CC(=O)n1cc(c2c1cccc2)O[C@H]3C([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188400 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188450 CC(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 A188485 CC(=O)N[C@@]1(CCc2c(ccc(c2C1)OC)OC)C(=O)[13CH3] A188497 CC(=O)C1=NCCCC1.Cl A188500 [13CH3][13C](=O)C1=NCCCC1.Cl A188502 CC(=O)N1CCc2cccc(c2C1)O A188505 CC(=O)CC(=O)N1C(C=C(C1(C)C)C(=O)N)(C)C A188510 CC(=O)N1C(C=C(C1(C)C)C(=O)N)(C)C A188520 CC(=O)N1C(C=C(C1(C)C)C(=O)O)(C)C A188530 CC(=O)N1C(C=C(C1(C)C)C(=O)ON2C(=O)CCC2=O)(C)C A188535 CC(=O)N1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C A188560 CC(=O)N1C(C=C(C1(C)C)CO)(C)C A188570 CC(=O)N1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A188600 CC(=O)[15N]1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A188602 CC(=O)SCC(=O)O A188680 CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(c2ccccc2Cl)C(=O)OC A188685 CC(=O)SCC(Cc1ccccc1)C(=O)O A188690 CC(=O)SCCCC#N A188695 CC(=O)SCCS(=O)(=O)[O-].[Na+] A188700 [2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)C.[Na+] A188702 CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(c2ccccc2F)C(=O)C3CC3 A188705 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCSC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188710 [2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1C(=O)OCc2ccc(cc2)[N+](=O)[O-])SC(=O)C)C([2H])([2H])[2H] A188717 CC(=O)SC(C)(C)C(=O)O A188725 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OC A188760 C[C@H](CSC(=O)C)C(=O)O A188770 CC(CSC(=O)C)C(=O)O A188775 [2H]C([2H])([2H])C(C(=O)O)C([2H])([2H])SC(=O)C A188777 CC(CSC(=O)C)C(=O)NCC(=O)OC(C)(C)C A188790 [2H]C([2H])([2H])C(C(=O)NCC(=O)OC(C)(C)C)C([2H])([2H])SC(=O)C A188792 CC(=O)SC[C@H]1CCN([C@@H]1c2cccnc2)C A188795 CC(=O)S[C@H](Cc1ccccc1)C(=O)O A188805 CC(=O)S[C@H](Cc1ccccc1)C(=O)O A188810 CC(=O)SCCC(=O)O A188835 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2cc(ncn2)OC)[2H] A188847 [2H]C1(C(N(C(=N1)Nc2c(ccc3c2nsn3)Cl)C(=O)C)([2H])[2H])[2H] A188872 CC(=O)N[C@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)C(=O)O A188890 CC(=O)N[C@H](Cc1cc(c(c(c1)I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C(=O)O A188892 CCOC(=O)[C@@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)NC(=O)C A188900 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A189225 CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189325 CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189330 CC(=O)O[13C@H]1[13C@@H]([13C@@H]([13C@H](O1)[13CH2]OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189332 CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4 A189400 CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl A189525 CC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O A189580 [2H]C([2H])([2H])C(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O A189582 CC(=O)N1CCC(CC1)C(=O)c2cccc(c2)C(F)(F)F A189625 CC(=O)OCC(c1ccccc1)C(=O)O A189700 CC(=O)c1cc(ccc1O)C[C@@H](C(=O)O)N A189750 CC(=O)c1cc(ccc1O)C[C@@H](C(=O)OC)N.Cl A189755 CC(=O)NS(=O)(=O)Cc1c2ccccc2on1 A189800 Cc1cnc(c[n+]1[O-])C(=O)O A189850 [2H]c1c(ncc([n+]1[O-])C([2H])([2H])[2H])C(=O)O A189852 CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC A189875 Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC A189900 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C A189902 Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC A189905 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C A189907 Cc1cc(c(c(c1/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)C)C)OC A189910 Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)C)C)OC A189925 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)C A189927 Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC A189930 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C A189932 C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N A190150 C[C@@H]([C@@H]([C@H](CC=O)N)O)O.Cl A190250 c1ccc2c(c1)c(c3ccccc3n2)N A190880 c1ccc2c(c1)cc3ccccc3n2 A190900 C[n+]1c2ccccc2c(c3c1cccc3)C(=O)Oc4ccc(cc4)CCC(=O)ON5C(=O)CCC5=O.C(F)(F)(F)S(=O)(=O)[O-] A190925 c1ccc2c(c1)c(c3ccccc3n2)NC(=O)/C=C\C(=O)O A190935 c1ccc2c(c1)c(=O)c3ccccc3[nH]2 A190950 c1cc2c(cc1N)nc3cc(ccc3c2NCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)N A191100 C=CC=O A191200 [2H]C(=C([2H])C(=O)[2H])[2H] A191202 C=CC(=O)N A191300 [2H]C(=C([2H])C(=O)N)[2H] A191302 C=CC(=O)O A191350 [13CH2]=[13CH][13C](=O)O A191352 C=CC#N A191370 COC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 A208000 [2H]C(O)([C@@]12C[C@]3(C[C@@H](C1)C[C@@H](C2)C3)C(O)([2H])[2H])[2H] A208052 COc1c(cccc1)C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4 A208250 COc1c(cc(cc1)Br)C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4 A208300 C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)COCCCCC=O A209000 C1C2CC3CC1CC(C2)(C3)COCCCCCN4CC([C@H]([C@@H](C4CO)O)O)O A210000 COc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)O)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6 A225000 [2H]C(Oc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)O)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)([2H])[2H] A225002 COc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)OC)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6 A225010 [2H]C(Oc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)OC([2H])([2H])[2H])cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)([2H])[2H] A225012 c1c(ccc(c1)NCc2c(ccc(c2)O)O)C(=O)OC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5 A225020 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C)(C)C)SC1)C(=O)O A235000 CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O.Cl A514485 CC(C)(C)NC[C@H](c1ccc(c(c1)CO)O)O.Cl A514490 CC(C)(C)NCC(c1ccc(c(c1)C=O)O)O A514495 CC(C)(C)NCC(c1ccc(c(c1)CO)O)O.OS(=O)(=O)O A514500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)CO)O)O A514502 CC(C)(C)NCC(c1ccc(c(c1)CO)OS(=O)(=O)O)O A514505 CC(C)(C)NCC(c1ccc(c(c1)CO)O)OC A514510 CC(C)(C)NCC(c1ccc(c(c1)Cc2cc(cc(c2O)CO)C(CNC(C)(C)C)O)O)O A514515 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)Cc2cc(cc(c2O)CO)C(CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)O)O A514517 CN1CCC(=C2c3ccccc3CCn4c2ncc4C=O)CC1 A514530 [2H]C([2H])([2H])N1CCC(=C2c3ccccc3CCn4c2ncc4C=O)CC1 A514532 CN1CCC(=C2c3ccccc3CCn4c2ncc4C(=O)O)CC1 A514535 C=CCN1c2ccccc2Sc3c1cccc3 A572200 CCC(=O)OC1(CCN(CC1CC=C)C)c2ccccc2.Cl A572300 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2CC=C)C)OC(=O)CC)[2H])[2H].Cl A572302 C=CCc1ccc(c(c1)O)C=O A575000 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)OC(=O)OCC=C)/c3ccccc3 A575075 c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N A247500 [2H]C([2H])(C([2H])([2H])OCP(=O)(O)O)n1cnc2c1ncnc2N A247502 CCN(CC)CC.c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N A247510 [2H]C([2H])(C([2H])([2H])OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cnc2c1ncnc2N.CCN(CC)CC A247512 CCN(CC)CC.c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)O)N A247515 [2H]C([2H])(C([2H])([2H])OCP(=O)(O)OP(=O)(O)O)n1cnc2c1ncnc2N.CCN(CC)CC A247517 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)O A247525 c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)N A280400 c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)O)O)N A280402 c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N.[Na+] A280450 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])O)N.[Na+] A280455 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)OCOC(=O)C(C)(C)C A280465 c1[nH]c2c(ncnc2n1)N A280480 CC[NH+](CC)CC.c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N A280500 CC[NH+](CC)CC.c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]4[13C@@H]([13C@H](O3)[13CH2]O)OP(=O)(O4)[O-])N A280502 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+] A281700 B1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4N)c5ccccc5 A281750 c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)OP(=O)(O)O)O)N.c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)OP(=O)(O)O)N A281775 c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)OP(=O)(O)O)O)N.c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)O)OP(=O)(O)O)N A281777 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N.[Na+].[Na+] A281790 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)[O-])O)O)N.[Na+] A281800 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O)N.[Na+].[Na+] A281810 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N A291500 c1nc(c2c(n1)n(cn2)[13C@H]3[13C@@H]([13C@@H]([13C@H](O3)[13CH2]SCC[C@@H](C(=O)O)N)O)O)N A291502 C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.[Cl-] A291530 [2H]C([2H])([2H])[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.OS(=O)(=O)O A291532 C[S+](CC[C@@H](C(=O)O)N)[13CH2][13C@@H]1[13C@H]([13C@H]([13C@@H](O1)n2cnc3c2ncnc3N)O)O.[Cl-] A291533 COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)c4ccccc4)C(=O)NO A291560 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2.Cl A291580 [2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C#N A291602 C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)O A291800 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN2CC[C@@]([C@H](C2)C)(C)c3cccc(c3)O)C(=O)O)[2H])[2H] A291802 c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO A301500 CC1CC(C2=C/C(=N/NC(=N)N)/C(=O)C=C12)O.CS(=O)(=O)O A305240 CN1CC(C2=CC(=O)C(=O)C=C21)O A305250 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C A305600 CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 A325600 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 A325602 CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F A355300 [2H]C1(C[C@@H](C(O1)([2H])[2H])Oc2cc3c(cc2NC(=O)/C=C/CN(C)C)c(ncn3)Nc4ccc(c(c4)Cl)F)[2H] A355302 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)n6cnc7c6c(=O)nc([nH]7)N)O A355350 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)n6cnc7c6c(=O)[15n][13c]([nH]7)[15NH2])O A355352 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2 A357460 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2 A357462 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2 A357465 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2 A357467 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5C=CO[C@@H]5O2 A357480 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5C=CO[C@@H]5O2 A357482 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5CCO[C@@H]5O2 A357485 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5CCO[C@@H]5O2 A357487 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@]5(C=CO[C@@H]5O2)O A357500 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@]5(C=CO[C@@H]5O2)O A357502 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5(CCOC5O2)O A357505 [2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5(CCOC5O2)O A357507 c1c(c2c3c(c(=O)oc2c4c1O[C@@H]5[C@H]4C=CO5)C(=O)CC3)O A357520 c1c(c2c3c(c(=O)oc2c4c1O[C@@H]5[C@H]4CCO5)C(=O)CC3)O A357525 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)C[C@@H]4O)[C@@H]5C=CO[C@@H]5O2 A357530 c1ccc(cc1)CNC(=O)/C(=C/c2ccc(c(c2)O)O)/C#N A425000 [HH].CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3.OOP(=O)=O A425500 Cc1ccc(cc1)C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)O)(C)C A427000 [2H]c1c(c(c(c(c1C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)O)(C)C)[2H])[2H])C([2H])([2H])[2H])[2H] A427002 CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=CCC3(C)C)c4ccc(cc4)C A427010 [2H]c1c(c(c(c(c1C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)OCC)(C)C)[2H])[2H])C([2H])([2H])[2H])[2H] A427012 CC(=O)NCCc1cccc2c1cc(cc2)OC A430000 [2H]C([2H])(c1cccc2c1cc(cc2)OC)C([2H])([2H])NC(=O)C A430002 c1cc2c(c(c1)C(=O)c3ccc(cc3)Br)NC(=O)C2=O A435000 c1nc(c(n1[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)O)N)C(=O)N A440500 CC[C@@H]1[C@H](N2C3CC1C4C2CC5([C@H]3N(c6c5cccc6)C)[C@H]4O)O A448000 c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O A450300 CCc1cccc(c1N(COC)C(=O)CCl)CC A450800 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])C([2H])([2H])[2H])N(COC)C(=O)CCl)C([2H])([2H])C([2H])([2H])[2H])[2H] A450802 C1CNC(=NC1=O)N.Cl A460500 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O.Cl A470300 [2H][C@@](C(=O)O)(C([2H])([2H])[2H])N A481502 C[C@@H](C(=O)OCc1ccccc1)N.Cl A481505 Cc1ccc(cc1)S(=O)(=O)O.C[C@H](C(=O)OCc1ccccc1)N A481510 Cc1ccc(cc1)S(=O)(=O)O.C[C@@H](C(=O)OCc1ccccc1)N A481515 C[C@H](C(=O)OCc1ccccc1)N.c1ccc(cc1)S(=O)(=O)O A481525 C[C@@H](C(=O)OCc1ccccc1)N.c1ccc(cc1)S(=O)(=O)O A481535 CCOC(=O)C(C)N.Cl A510575 CC(COC)N A510600 C(C(C(=O)O)N)N(N=O)O A510800 C(C(C(=O)O)N)[15N]([15N]=O)O A510805 C([C@@H](C(=O)O)N)N(N=O)O A510810 C[C@@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)N A511000 C[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N A511010 C[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)N)N.Cl A511100 C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)N A511350 CNc1ccc(cc1)NC A511380 [2H]C([2H])([2H])Nc1ccc(cc1)NC([2H])([2H])[2H] A511382 C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]1[C@H]2[C@@H]1CN(C2)c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)O)F)N.CS(=O)(=O)O A511400 [2H]C1([C@@H]2[C@@H]([C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(N1c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)O)F)([2H])[2H])[2H].CS(=O)(=O)O A511402 C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)n3cnc4cc(ccc4c3=O)Cl A511450 [2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)n3cnc4cc(ccc4c3=O)Cl A511452 CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC A511610 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1ccc2c(c1)nc([nH]2)NC(=O)OC A511612 CCCS(=O)(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC A511615 CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC A511620 C([C@H](C(=O)O)N)NC(=O)N A511995 C([C@@H](C(=O)O)N)NC(=O)N A512000 CC1=C(C(=O)[C@@H]2[C@H]([C@]3([C@@H]4[C@H]5N4[C@]2(C1=O)N3C5)OC)COC(=O)N)N A513500 [2H]C([2H])([2H])N1CCC(=C2c3ccccc3CCn4c2ncc4C(=O)O)CC1 A514537 C=CCOc1ccc(cc1Cl)CC(=O)O A514550 [2H]C(=C([2H])C([2H])([2H])Oc1ccc(cc1Cl)CC(=O)O)[2H] A514552 C(CO)COP(=O)(N)N(CCCl)CCCl A514575 [2H]C([2H])(CN(CC([2H])([2H])Cl)P(=O)(N)OCCCO)Cl A514577 c1ccc2c(c1)cnnc2N/N=C/C(C(C(C(CO)O)O)O)O A514600 CC(C)(/C=N/OC(=O)NC)SC A514650 [2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)SC A514652 CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C A514660 [2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)S(=O)(=O)C A514662 CC(C)(/C=N/OC(=O)NC)S(=O)C A514665 [2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)S(=O)C A514667 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O A514700 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3[C@H](C[C@@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@H]4C(=O)C([2H])([2H])O)C=O)O)C A514702 [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@H]([C@@]4(C([C@]2([2H])O)([2H])[2H])C=O)C(=O)CO A514703 CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]13C[C@@H]([C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)OC3O A514710 CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)/C=N\O A514720 c1ccc2c(c1)cnnc2N/N=C(\CO)/C(C(C(CO)O)O)O A514800 CCCCCCCCCCCCCC(=O)NCCCN(C)C A521000 C1C2[C@@H]([C@H](C1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O)O A521100 C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+] A521250 [2H]C([2H])(C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O)C([2H])([2H])N A521252 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C A524000 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C([2H])([2H])[2H] A524002 CC1=C(C[C@H](C[C@@H]1O)O)[C@@H]2C=C3[C@@H]4CC[C@@H]([C@]4(CC[C@H]3n5n2c(=O)n(c5=O)c6ccccc6)C)[C@H](C)CCCC(C)C A524010 CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC A525000 [2H]C([2H])([2H])C([2H])([2H])C(CCCC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CCCC)C([2H])([2H])C([2H])([2H])[2H] A525002 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCn3c(=O)n(nn3)CC)COC.Cl A525800 [2H]C([2H])([2H])OCC1(CCN(CC1)CCn2c(=O)n(nn2)CC)N(c3ccccc3)C(=O)CC.Cl A525802 CN(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl A532000 [2H]C([2H])([2H])N(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl A532002 CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O A532030 C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O A535960 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl A536000 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N A536001 [2H]C([2H])([2H])C(CNC(=O)[C@@H](C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O)C(C)C)(C(=O)N)C([2H])([2H])[2H].Cl A536002 C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N A536500 C1(C(=O)NC(=O)N1)NC(=O)N A540500 C1(C(=O)[15NH][13C](=O)[15NH]1)[15NH][13C](=O)[15NH2] A540502 C(C(=O)O)(NC(=O)N)NC(=O)N A541500 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C A542200 C=CCSS(=O)CC=C A543500 C=CCC1(C(=O)NC(=O)NC1=O)CC=C A544500 [2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C([2H])([2H])C(=C([2H])[2H])[2H])[2H] A544502 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C A545000 C(CSC[C@H](C(=O)O)N)[C@@H](C(=O)O)N A546125 Cc1cc(=O)c(co1)O A546700 C[C@@H](C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)O A546800 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@@H]4C(=O)C)C)C)([2H])[2H])O A547102 c1c2c([nH]cnc2=O)[nH]n1 A547300 [2H]c1c2c([nH]c(nc2=O)[2H])[nH]n1 A547302 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O A548000 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O A548500 [2H]C1(C[C@]2([C@@H](CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C([2H])([2H])O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H] A548502 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A548510 [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A548512 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)O A548520 [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)C)([2H])[2H])O A548522 Cc1cc(c(cc1S(=O)(=O)[O-])OC)/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)[O-].[Na+].[Na+] A548750 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)OCc2ccccc2 A549000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COCc2ccccc2)O)OCc3ccccc3 A549100 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCC=C)O A549200 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCC=C)O A549210 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COC(=O)C)OC(=O)C)OC(=O)C A549500 CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)OCC=C)O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6 A549650 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC A549652 [2H]C(=C([2H])C([2H])([2H])NC1=C2C[C@H](C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](\C=C/C=C(/C(=O)NC(=CC1=O)C2=O)\C)OC)OC(=O)N)\C)C)O)OC)C)[2H] A549660 CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)OCc3ccccc3)CC=C A549665 CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)O)CC=C A549670 CCCCn1c2c(c(=O)n(c1=O)CC=C)[nH]c(n2)Cc3ccc(cc3)NC(=O)C A549675 COc1ccc2c3c1oc(=O)c4c3c(c(cc4CC=C)OC)oc2=O A549680 C=CCC1(CC1)S(=O)(=O)[O-].[K+] A549695 C=CCC1(CC1)S(=O)(=O)Cl A549700 C=CCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)N2C(=O)c3ccccc3C2=O A549800 COc1ccc(c2c1oc(=O)c3c2c(c(cc3)OC)OCC=C)C(=O)OC A549900 C=CCn1c2c(=O)[nH]c(nc2n(c1=O)[C@H]3[C@H](C([C@H](O3)CO)O)O)N A550000 Cn1c2c(nc1c3ccccc3)n(c(=O)n(c2=O)CC=C)C A552500 C[C@@H]1CN[C@H](CN1CC=C)C A552540 C[C@H]1CN[C@@H](CN1CC=C)C.C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O A552545 Cn1c2c(nc1c3ccc(cc3)S(=O)(=O)[O-])n(c(=O)n(c2=O)CC=C)C.[Na+] A552650 C=CCO[C@@H]1C([C@H]([C@H](C(O1)CO)O)O)O A554750 C=CCO[C@@H]1C([C@H]([C@@H](C(O1)CO)O)O)O A555250 C=CCOC(=O)C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O A555400 C=CCO[13C](=O)[13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)O)O)O A555402 C=CCC1CC(=O)NC(=O)C1 A555600 C=CC[C@H](C(=O)O)N A556500 CS(=O)(=O)SCC=C A558500 CC1[C@H]2Cc3ccc(cc3[C@]1(CC[N@@]2CC=C)C)O.Cl A559000 CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)OC=C A561430 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C/C=C/C(=O)O[C@H]3C(C([C@@H](C(O3)C(=O)OCC=C)O)O)O)OC(=O)OCC=C)C A561475 COc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)O A561480 [2H]C1([C@@H]2CCCN([C@@H]2C(N1c3c(cc4c(c3OC)n(cc(c4=O)C(=O)O)C5CC5)F)([2H])[2H])C(=O)OCC=C)[2H] A561482 CCOc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)OCC A561485 COc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OCC=C)O)O)O A561495 C=CCOC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O A561500 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)OCC=C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A561520 Cc1cc(=O)oc2c1cc3c(coc3c2OCC=C)C A561700 [2H]C(=C([2H])C([2H])([2H])Oc1c2c(cc3c1occ3C)c(cc(=O)o2)C)[2H] A561702 C=CCOc1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N A561800 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)OCC=C)O)O)O A571500 CC(c1ccc(cc1)NCC(=C)C)C(=O)O A575150 [2H]C([2H])([2H])C(c1ccc(cc1)NCC(=C)C)C(=O)O A575152 CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O A575200 CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3.Cl A575201 [2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)C([2H])([2H])[2H].Cl A575202 CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NCCCC(=O)O A575205 C[N+](C)(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)[O-].Cl A575210 CN(C)CCc1c[nH]c2c1cc(cc2)Cc3c(c4cc(ccc4[nH]3)CS(=O)(=O)N5CCCC5)CCN(C)C A575215 c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)CO)C2=O A575400 [2H]c1c(c2c(c(c1[2H])O)C(=O)c3c(c(c(c(c3O)[2H])CO)[2H])C2=O)[2H] A575402 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N A575425 [2H]C([2H])([2H])n1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N A575427 CCCS(=O)(=O)c1ccc2c(c1)nc([nH]2)N A580950 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)N A581400 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)N A581402 Cc1ncc(c(n1)N)CN A581865 Cc1ncc(c(n1)N)CN A581875 c1cc(cc(c1)N)c2nc3cc(ccc3o2)N A581940 c1cc(ccc1c2nc3cc(ccc3o2)N)N A581945 c1cc(cc(c1)N)c2nc3ccc(cc3o2)N A581950 c1cc(ccc1c2nc3ccc(cc3o2)N)N A581955 COC(=O)c1cc(c(c(c1)S(=O)(=O)N)Oc2ccccc2)N A581970 C([C@@H]1[C@@H](C([C@H](O1)CO)O)O)N A582100 C1=C(O[C@H]([C@@H]([C@H]1N)O)[C@@H]([C@@H](CO)O)O)C(=O)O A583150 c1ccc(c(c1)N)Nc2ccncc2 A583160 [2H]c1c(c(c(c(c1[2H])N)Nc2ccncc2)[2H])[2H] A583162 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)OC A583175 C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)N)C A583700 CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 A575450 CCCCc1c2c([nH]c1c3ccc(cc3)OC)nccn2 A575475 Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O.Cl A575500 [2H]C([2H])([2H])n1c2ccccc2c3c1CCN(C3=O)Cc4c(nc[nH]4)C.Cl A575502 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O A575510 [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O A575512 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A575515 [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A575517 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O A575520 [2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)([2H])[2H])O A575522 C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 A575540 [2H]c1c(c(c(c(c1[2H])[2H])C2(C(=O)NC(=O)NC2=O)CC=C)[2H])[2H] A575542 CCCN(CCC)C(=O)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl A575560 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] A575562 Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl A575650 [2H]C([2H])([2H])c1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl A575652 [2H]C1(c2nnc(n2-c3ccc(cc3C(=N1)c4ccccc4)Cl)C([2H])([2H])[2H])[2H] A575653 Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)CN A575665 Cc1nnc2n1-c3ccc(cc3C4(N(C2)O4)c5ccccc5)Cl A575690 C[C@@]12C[C@H]([C@@H](C=C1c3cc(cc(c3C(=O)O2)O)OC)O)O A575740 Cc1nnc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4)Cl A575750 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O A575755 Cc1cc(cc2c1c3cc(cc(c3c(=O)o2)O)O)O A575760 CN(C)c1nc(nc(n1)N(C)C)N(C)C A575765 Cc1cc(cc2c1c3cc(cc(c3c(=O)o2)O)OC)O A575770 C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl A575775 [2H]C(=C([2H])C([2H])([2H])SCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H] A575777 CCN(CCCc1ccccc1)CCCc2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O A575780 [2H]C([2H])([2H])C([2H])([2H])N(CCCc1ccccc1)CCCc2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O A575782 C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O A575785 C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C[C@H](Cc4ccccc4)C(=O)NCC(=O)O A575790 C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)OS(=O)(=O)[O-])C[C@H](Cc3ccccc3)C(=O)NCC(=O)[O-].[Na+].[Na+] A575795 C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O A575800 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN2CC[C@@]([C@H](C2)C)(C)c3cccc(c3)O)C(=O)NCC(=O)O)[2H])[2H] A575802 Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)I A575805 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(cc1)O A575810 [2H]c1c(c(c(c(c1NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[2H])[2H])O)[2H] A575812 CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O.Cl A575815 C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)N.Cl A575820 [2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])N)([2H])[2H] A575822 c1ccc2c(c1)c(cn2CCCCCF)C(=O)c3ccccc3I A575825 [2H]c1c(c(c(c(c1[2H])C(=O)c2cn(c3c2cccc3)CCCCCF)I)[2H])[2H] A575827 c1ccc2c(c1)cccc2C(=O)c3cn(c4c3cccc4)CCCCCF A575830 [2H]C([2H])(CCCC([2H])([2H])F)n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 A575832 CN1CCCCC1Cn2cc(c3c2cccc3)C(=O)c4cccc5c4cccc5 A575835 [2H]C([2H])([2H])N1CCCCC1C([2H])([2H])n2cc(c3c2cccc3)C(=O)c4cccc5c4cccc5 A575837 C1=CC(=NNC(=S)N)C=CC1=NNC(=N)N A575840 CN1CCCCC1Cn2cc(c3c2cccc3)C(=O)c4ccccc4I A575850 [2H]C([2H])([2H])N1CCCCC1C([2H])([2H])n2cc(c3c2cccc3)C(=O)c4ccccc4I A575852 Cc1cc(nc(n1)O[C@@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C A575860 [2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)O)Oc3nc(cc(n3)C)C A575862 Cc1cc(nc(n1)OC(C(=O)OC)C(c2ccccc2)(c3ccccc3)OC)C A575865 [2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)OC)Oc3nc(cc(n3)C)C A575867 Cc1cc(nc(n1)O[C@H](C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(c3ccccc3)(c4ccccc4)OC)C A575870 c1c(c(c(cc1Br)Br)N)CNC2CC[C@@H](CC2)O.Cl A575900 [2H][C@]1(C(CC(CC1([2H])[2H])NCc2c(c(cc(c2)Br)Br)N)([2H])[2H])O A575902 c1c(c(c(cc1Br)Br)N)CN[C@H]2CC[C@H](CC2)O A575905 [2H][C@]1(C(C[C@@H](CC1([2H])[2H])NCc2c(c(cc(c2)Br)Br)N)([2H])[2H])O A575907 c1c2c(c(cc1Br)Br)NCN(C2)[C@H]3CC[C@@H](CC3)O A575910 [2H][C@]1(C(C[C@H](CC1([2H])[2H])N2CNc3c(cc(cc3C2)Br)Br)([2H])[2H])O A575912 CC[N+](C)(C)CCC(c1ccccc1)(c2ccccc2)C(=O)N.[Br-] A576000 [2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)CCC(c1ccccc1)(c2ccccc2)C(=O)N.[Br-] A576002 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6 A576150 [2H]C1(CC2(CC1([2H])[2H])O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@]5([C@H](C[C@@]4([C@@]3(O2)C(=O)COC(=O)C)C)O)F)C)[2H] A576152 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)/N=C/N3CCCCCC3)C(=O)O)C A576300 c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)[O-].O.[Na+] A576500 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cccc(c2N)CC(=O)[O-])[2H])[2H].O.[Na+] A576502 c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O A576510 CNCC(c1cccc(c1)NS(=O)(=O)C)O A576650 c1cc(cc2c1cc(cc2)O)C(=N)N.Cl A576750 c1cc(ccc1C(=N)N)OCCCCC(=O)O A576760 c1cc(ccc1C(=N)N)OCCCCCO A576765 CCN(c1ncc(s1)C)C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O A576780 Cc1cnc(s1)N(C)C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O A576790 CC(=O)Nc1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I A576800 [2H]C([2H])([2H])C(=O)Nc1c(c(c(c(c1I)NC(=O)C([2H])([2H])[2H])I)C(=O)O)I A576802 C(CN)CNCCSP(=O)(O)O A576810 C(CN)CNCCS A576820 C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O A578500 [2H][C@@](C(=O)N[C@@H]1C[C@H]([C@H](C(C1O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CN)O)O)O)N)(C([2H])([2H])C([2H])([2H])N)O A578502 C1[C@H]([C@H](C(C([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CN)O)O)N)N A578515 c1c(nc(c(n1)N)C(=O)NC(=N)N)Cl A578690 c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N.Cl A578700 c1(c(nc(c(n1)Cl)N)N)C(=O)[15NH]C(=[15NH])[15NH2].Cl A578702 C(C(=N)N)N A580000 CC(=O)CN.Cl A580060 CC(=O)c1ccc(cc1)N A580075 C[13C](=O)c1ccc(cc1)N A580077 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)CN)[2H])[2H].Cl A580087 c1cc(cnc1)C(=O)CN A580090 CC(=O)NCCc1c[nH]c2c1cc(cc2)N A580120 c1ccc2c(c1)c(=O)c3cc(ccc3[nH]2)N A580200 C1[C@H]2CC3(C[C@@](C2)(C[C@@H]1C3)O)N A580300 c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)N)N A580360 c1nc(c2c(n1)n(c(n2)N)[C@H]3C([C@H]([C@H](O3)CO)O)O)N A580375 C(CC(C(=O)O)N)CC(=O)O A580500 [2H]C([2H])(CC(=O)O)C([2H])([2H])C(C(=O)O)N A580502 CCCSc1ccc2c(c1)nc([nH]2)N A580945 C(CN=[N+]=[N-])[C@@H](C(=O)O)N A584000 C(COCCOCCOCCN=[N+]=[N-])N A585000 [2H]c1c(c(c(c(c1C(=N)N)[2H])[2H])N)[2H] A587202 c1ccc(cc1)C(=O)Nc2ccc(cc2)N A587800 COC(=O)[C@H](CCc1ccccc1)N.Cl A591410 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N A591420 c1cc(ccc1CS(=O)(=O)N2CCCC2)N A591465 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)N A591480 [2H]c1c(c(c(c(c1NS(=O)(=O)c2ccc(cc2)N)[2H])[2H])S(=O)(=O)Nc3cc(on3)C)[2H] A591482 c1cc(ccc1C(=O)O)N A591500 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])N)[2H] A591502 [13cH]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)N A591503 c1ccc(c(c1)C#N)N A591505 c1cc2c(cc1N)Oc3ccc(cc3C(=O)N2)Cl A603335 CO[13c]1c([13c](nc(n1)N)N[C@H]2C[C@@H]([C@H]([C@H]2O)COCc3ccccc3)OCc4ccccc4)/[15N]=N/c5ccc(cc5)Cl A603342 c1ccc(cc1)COC[C@@H]2[C@@H](C[C@@H](C2O)N[13c]3c[13c](nc(n3)N)Cl)OCc4ccccc4 A603347 c1c([nH]c-2nc(nc(=O)c2n1)N)CCl.Cl A603350 c1ccc(c(c1)C(=O)c2cc(ccc2N)Cl)Cl A604630 c1c(nc(c(n1)N)Br)Br A604635 c1c(c(c(c(c1S(=O)(=O)N)Cl)Cl)N)S(=O)(=O)N.Cl A604645 c1c(c(c(nc1Cl)Cl)[N+](=O)[O-])N A604660 c1c(cc(c(c1Cl)N)Cl)C(=O)CBr A604680 CC(C)(C)NCC(=O)c1cc(c(c(c1)Cl)N)Cl.Cl A604685 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)c1cc(c(c(c1)Cl)N)Cl A604687 CC(=O)c1cc(c(c(c1)Cl)N)Cl A604690 c1cc(c(cc1Cl)N)C(=O)CCl A604695 c1c(cnc(c1N)Cl)Cl A604700 c1c(c(c(cn1)Cl)N)Cl A604705 c1c(cc(nc1Cl)Cl)N A604710 c1[13c](nc(n[13c]1Cl)N)Cl A604717 c1cc(ccc1C#N)N A591700 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)N A591710 c1cc2ccc3cc4c(cccc4N)c5c3c2c(c1)cc5 A592750 c1ccc2c(c1)nc(s2)N A593500 c1ccc2c(c1)[n+](c(n[n+]2[O-])N)[O-] A593625 c1ccc2c(c1)nc(n[n+]2[O-])N A593640 c1cc(c2c(c1)[nH]c(=O)o2)N A593750 Cn1c2ccc(cc2nc1N)C(=O)c3ccccc3 A593755 c1ccc(cc1)C(=O)c2ccc3c(c2)nc([nH]3)N A593760 c1ccc(cc1)C(c2ccc3c(c2)nc([nH]3)N)O A593765 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N A593770 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N)[2H] A593772 c1cc(ccc1C(=O)N2CCOCC2)N A593790 c1ccc(cc1)C(=O)c2cccnc2N A593800 c1cc(c(c(c1)C(=O)O)N)C(=O)c2ccc(cc2)Br A593840 c1c(cc2c(c1N)oc(=O)[nH]2)Cl A593875 c1ccc(cc1)Cn2c(c(c(=O)[nH]c2=O)Br)N A596500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)N)O A596702 c1ccc(c(c1)CC#N)N A596920 c1ccc(c(c1)CC#N)N.Cl A596925 CC(C)(C)OC(=O)CN(C[C@H](Cc1ccc(cc1)N)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C A597350 CN(C=O)c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N A597550 CNc1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N A598750 Cn1c(=O)c(c(n(c1=O)Cc2ccccc2)N)N(C)C=O A599350 c1cc(ccc1C[C@H]2COC(=O)N2)N A599500 c1ccc(cc1)COC(=O)NCCCCCO A599580 CC(C)[C@H](CN)C(=O)N1CCC[C@H]1OCc2ccccc2 A599650 c1ccc(cc1)COc2ccc(cc2)C(CN)O A600100 c1ccc(cc1)COc2ccc(cc2)[13CH]([13CH2][15NH2])O A600102 c1ccc(cc1)COc2cccnc2N A600225 c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4C([C@H]([C@H](O4)CO)O)O)N A600250 c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N A600260 c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4C([C@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N A600270 c1ccc(cc1)Cc2cccnc2N A600300 c1ccc(cc1)CN2CCN(CC2)N A600875 c1cc(ccc1CC(CC(=O)O)C(=O)O)N A601500 c1ccc(c(c1)C(=O)c2cc(ccc2N)Br)Cl A601600 c1cc(ccc1CS[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)O)N A601745 c1cc(ccc1CS[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)N A601750 CC(=O)OCC(CN(C)C(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C A601755 c1ccc(cc1)Cn2c(cc(=O)[nH]c2=O)N A601760 c1ccc(cc1)c2ccccc2N A601765 [2H]c1c(c(c(c(c1[2H])[2H])c2ccccc2N)[2H])[2H] A601768 c1ccc(cc1)c2cccc(c2)N A601774 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(c(c(c2[2H])N)[2H])[2H])[2H])[2H])[2H] A601775 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)N)[2H])[2H] A601780 c1ccc(cc1)c2ccc(cc2)N A601781 [3H]C.[3H]C.c1ccc(cc1)c2ccc(cc2)N A601782 c1ccnc(c1)C(=O)c2cc(ccc2N)Br A601785 [2H]c1c(c(nc(c1[2H])C(=O)c2cc(ccc2N)Br)[2H])[2H] A601787 c1ccc(cc1)c2ccc(cc2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] A601790 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H])[2H].[Na+] A601792 CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C A601795 c1cc(ccc1C(=O)CBr)N A601800 Cc1cc(c(nc1C)N)Br A601805 Cc1cc(c(nc1)N)Br A601810 COc1c(cc(cn1)N)Br A601815 Cc1ncc(c(n1)N)CBr A601820 Cn1c(c(cn1)Br)N A601825 Cc1c(c(n[nH]1)N)Br.Br A601827 Cc1cc(cnc1N)Br A601829 Cn1c(c(c(=O)[nH]c1=O)Br)N A601830 c1ccc(cc1)c2c(c(n[nH]2)N)Br A601835 c1ccc(cc1)c2cc(c(nc2)N)Br A601840 c1c(ncc(n1)Br)N A601845 c1c(cnc(c1CO)N)Br A601850 c1c(nc(c(n1)N)Br)C(=O)O A601855 c1c(nc(c(n1)N)C(=O)O)Br A601860 COC(=O)c1c(ncc(n1)Br)N A601863 c1c(c(n[nH]1)N)Br A601865 c1cnc(cc1Br)N A601870 c1cc(ncc1Br)N A601871 c1cc(ncc1N)Br A601875 c1c(cnc(c1Br)N)S(=O)(=O)O A601880 c1cc2c(c(c1N)Br)nccn2 A601885 [2H]C([2H])([2H])C([2H])([2H])[C@@H](CO)N A601892 CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)N)C(=O)OC A601895 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCN.Cl A601900 c1cc(ccc1C(=O)CN)Br.Br A601905 COC(=O)c1ccc(c(n1)N)Br A601910 Cc1c(cnc(c1[N+](=O)[O-])N)Br A601915 CN(Cc1cc(ccc1N)Br)C2CCCCC2 A601925 C(=C(/C(=O)N)\N)\C(=O)N A601930 CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(CO)O)I)OC(=O)C A601935 Cc1cc(nc(c1Br)C)N A601940 [2H]c1cc(cc2c1[nH]c(=O)c(c2c3c(c(c(c(c3Cl)[2H])[2H])[2H])[2H])N)Br A601952 CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)O)I)OC(=O)C A601970 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCN.Cl A602000 CC(=O)c1cc(ccc1OCC(CNC(C)(C)C)O)N A602100 CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)n2cc(c(nc2=O)N)F A602200 CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)[15n]2cc(c([15n][13c]2=O)N)F A602202 CC(C)(C)[Si](C)(C)OCc1csc(n1)N A602430 CC(C)(C)[Si](C)(C)OCc1cnc(s1)N A602440 CC(CCc1ccc(cc1)O)N A602500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)N A602502 CC(C)(C)c1nnc(s1)N A602850 CC[C@@H](C(=O)N)N.Cl A602890 [2H]C([2H])([2H])C[C@@H](C(=O)N)N.Cl A602892 C(CC(=O)O)CN A602920 CC(CC(=O)O)N A602925 CC[C@@H](C(=O)O)N A602930 [2H]C([2H])([2H])C[C@@H](C(=O)O)N A602932 [2H]C([2H])([2H])CC(C(=O)O)N A602937 CC[C@@H](C(=O)OC)N.Cl A602940 [2H]C([2H])([2H])C([2H])([2H])[C@@H](C(=O)OC)N.Cl A602942 CC(C)(C)n1c2c(c(n1)Cc3ccccc3)c(ncn2)N A602945 Cc1cccc(c1)Cc2c(c(n(n2)C(C)(C)C)N)C#N A602950 CC(C)(C)n1c2c(c(n1)c3ccccc3O)c(ncn2)N A602955 Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N A602960 CCc1c2c(ncnc2n(n1)C(C)(C)C)N A602965 Cc1ccc(cc1)c2c(c(n(n2)C(C)(C)C)N)C#N A602970 Cc1cccc(c1C)Cc2c3c(ncnc3n(n2)C(C)(C)C)N A602975 Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N A602980 CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N A602985 CC(C)(C)n1c(c(c(n1)Cc2ccccc2)C#N)N A602990 c1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN.Cl A603000 C(CC(=O)N)CN.Cl A603001 CC(C)(C)n1c(c(c(n1)Cc2cccc3c2cccc3)C#N)N A603002 CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N A603003 CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N A603004 C(CCC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)CCN A603005 CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)CCCCCN)C(=O)OC(C)(C)C A603006 CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)CCCCC[NH3+].C(=O)(C(F)(F)F)[O-] A603007 CC1[C@H]([C@@H](C([C@H](O1)NC(=O)CCCCCN)O)O)O A603010 C(CCC(=O)O)CCN.Cl A603015 [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N.Cl A603017 C(CCC(=O)N[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCN A603020 c1cc(ccc1CCC(=O)O)OC(=O)CCCCCN A603030 CCOC(=O)c1cnc(nc1N)SCC A603040 c1ccc2c(c1)c3c(ccnc3[nH]2)N A603045 CS(=O)(=O)SCCC(=O)N A603050 c1cc(c(c(c1)[N+](=O)[O-])C(=O)N)C(=O)[O-].[K+] A603055 CCOC(=O)/C=C(/C=N/NC(=O)N)\C(F)(F)F A603060 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)OCC)SC(=O)N A603065 CCCc1c(c(n(n1)C)C(=O)N)NC(=O)c2cc(ccc2OCC)S(=O)(=O)c3ccc(c(c3)C(=O)Nc4c(nn(c4C(=O)N)C)CCC)OCC A603070 C.c1c(c(n[nH]1)N)C(=O)N A603076 CCSc1ncc(c(n1)N)C(=O)O A603090 CS(=O)(=O)SC[C@@H](C(=O)O)N A603100 Cc1c(c(no1)OCC(=O)O)CC(C(=O)O)N A603150 C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O A603250 CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)OC(C)(C)C A603260 c1cc(c(cc1N)O)O A603280 C1C=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O A603300 C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)Cl A603305 CCOc1cc2c(cc1N)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F A603315 COc1cc(c(cc1C(=O)O)Cl)N A603320 c1cc(c(c(c1)F)C(=O)c2cc(ccc2N)Cl)F A603325 COC(=O)c1cc(cc(c1O)N)Cl A603330 c1nc2c(n1[C@@H]3C[C@@H](C=C3)C(=O)O)nc(nc2Cl)N A603360 c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N A603375 c1c(c(cc(c1Cl)S(=O)(=O)Cl)S(=O)(=O)Cl)N A603380 c1cc(c(cc1N)C(F)(F)F)Cl A603385 C1C(ON=C1Cl)[C@@H](CO)N A603390 c1cc(c(c(c1)Cl)N)C(=O)O A603395 C[N+](C)(C)C[C@@H](CC(=O)[O-])N A603400 C[N+](C)(C)C[C@H](CC(=O)[O-])N A603405 C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)NC(=O)c3ccc(cc3N)Cl A603410 [2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)NC(=O)c3ccc(cc3N)Cl A603412 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A603415 C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CO A603420 c1cc(c(cc1N)S(=O)(=O)N)Cl A603425 c1cc(c(c2c1nsn2)N)Cl A603430 C1=C(N=C(N(C1N)O)N)Cl A603435 c12c(=O)[nH]c(nc1nc(s2)Cl)N A603438 COc1cc2c(cc1OC)nc(nc2N)Cl A603439 c1ccc(c(c1)C(=O)c2cc(ccc2N)Cl)F A603440 COc1ccc(cc1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3N)CCl.Cl A603445 Cc1c(c(nc(n1)Cl)N)[N+](=O)[O-] A603450 COC(=O)CCc1cc(c(s1)N)C(=O)c2ccccc2Cl A603455 CC(C)[Si](C(C)C)(C(C)C)Oc1cc(c(cc1Cl)C(C#CC2CC2)(C(F)(F)F)O)N A603460 [2H]C1(C(C1([2H])[2H])C#CC(c2cc(c(cc2N)O[Si](C(C)C)(C(C)C)C(C)C)Cl)(C(F)(F)F)O)[2H] A603462 Cc1cc(c(s1)N)C(=O)c2ccccc2Cl A603465 Cc1ccnc(c1N)Cl A603468 Cc1c(c(ccn1)N)Cl A603469 Cc1cnc(nc1N)Cl A603470 c1c(cc(c(c1N)O)[N+](=O)[O-])Cl A603475 c1ccc(c(c1)C(=O)c2ccsc2N)Cl A603480 c1cnc(c(c1Cl)[N+](=O)[O-])N A603485 c1c(c(cnc1N)[N+](=O)[O-])Cl A603487 c1ccc(cc1)C(=O)c2cc(ccc2N)Cl A603490 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2N)Cl)[2H])[2H] A603492 c1cc(nc(c1[N+](=O)[O-])N)Cl A603495 Cc1c2c(c3cccnc3c1Cl)n(c(n2)N)C A603500 c1cc2c(ccc(c2N)/N=N\c3ccc(cc3)Cl)c(c1)S(=O)(=O)N A603503 c1[nH]c2c(n1)nc(nc2Cl)N A603505 c1nc2c(n1[C@@H]3C[C@@H](C=C3)CO)nc(nc2Cl)N.Cl A603506 c1cncc(c1Cl)N A603508 c1nc2c(n1[C@H]3C([C@H]([C@H](O3)CO)O)O)nc(nc2Cl)N A603510 c1cc(nnc1N)Cl A603511 c1cnc(cc1Cl)N A603512 c1c(ncnc1Cl)N A603513 c1c2c(c(nc1Cl)N)ncn2[C@H]3C([C@H]([C@H](O3)CO)O)O A603514 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)N)OC(=O)C)OC(=O)C A603515 Cn1c(c(cn1)C#N)N A603516 Cc1ncc(c(n1)N)C#N A603517 c1cnc(nc1Cl)N A603518 CCCCCCC(C(C)O)Nc1c(c(ncn1)Cl)N A603519 c1c(c([nH]n1)N)C#N A603520 c1cnc(cc1C#N)N A603523 C(#N)c1c(nc([nH]1)N)C(=O)N A603525 Cn1c(c(c(=O)n(c1=O)C)NC(=O)C2CCCC2)N A603530 C1[C@@H](CC[C@H](C1)N)CO A603535 C1CCC(C1)(C(=O)O)N A603540 COC(=O)C1(CCCC1)N A603545 C1CCC(C1)N2CCN(CC2)N A603548 C1CC1(C(=O)O)N A603550 Cc1cc(nc(c1)Cl)N A603555 c1ccc(cc1)c2c3cc(ccc3[nH]/c(=N/N)/c2N)Cl A603560 c1c(cc(c(c1C(F)(F)F)N)Cl)C(=O)O A603565 c1c(cc(c(c1C(F)(F)F)N)Cl)C(=O)CBr A603570 CC(=O)c1cc(c(c(c1)Cl)N)C(F)(F)F A603575 c1ccc(cc1)c2c3cc(ccc3[nH]c(=O)c2N)Cl A603580 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)O)Cl)N A603587 c1ccc(c(c1)c2c3cc(ccc3[nH]c(=O)c2N)[N+](=O)[O-])Cl A603590 [2H]c1c(c(c(c(c1[2H])c2c3cc(ccc3[nH]c(=O)c2N)[N+](=O)[O-])Cl)[2H])[2H] A603592 c1c(nc(nc1Cl)N)N[C@@H]2C[C@@H](C=C2)CO A603595 [2H]C([2H])([C@H]1C[C@H](C=C1)Nc2cc(nc(n2)N)Cl)O A603597 COC(=O)C1(CC1)N.[Cl] A603600 c1cc(ccc1/N=N/c2c(nc(nc2Cl)N)N[C@@H]3C[C@@H](C=C3)CO)Cl A603605 [2H]C([2H])([C@H]1C[C@H](C=C1)Nc2c(c(nc(n2)N)Cl)/N=N/c3ccc(cc3)Cl)O A603607 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)N)Cl A603610 [2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)N)Cl)[2H])[2H] A603612 c1ccc(cc1)C(c2ccccc2)OC(=O)C3=C(CS[C@H]4N3C(=O)[C@H]4N)CCl.Cl A603615 c1cc(cc2c1ccc(=O)o2)N A603620 c1cnc(cc1N)Cl A603625 c1cc(c(cc1N)C(F)(F)F)C#N A603630 [2H]c1c(c(c(c(c1C#N)C(F)(F)F)[2H])N)[2H] A603632 C1CCC(C1)(C#N)N.Cl A603635 [2H]C1(CC(CC1([2H])[2H])(C#N)N)[2H].Cl A603637 C1[C@@H](C=C[C@@H]1N)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O A603640 C1CC1c2nnc(s2)N A603645 c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CN)[N+](=O)[O-])Cl A603650 c1cncc(c1N)Cl A603655 c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)N)C#N A603660 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N)N)([2H])[2H])([2H])[2H])[2H] A603662 CC(C)(C)OC(=O)NC(CC1CCC1)C(C(=O)N)O A603665 C1CC(CC(C1)O)N A603670 C1C[C@@H](C[C@@H](C1)O)N A603675 CN(Cc1ccccc1N)C2CCCCC2 A603680 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNc3nc4c(ncnc4n3[C@H]5C([C@H]([C@H](O5)CN6CC6)O)O)N A603685 CCn1c(=O)c2cc(c(nc2n(c1=O)C3CC3)N)C(=O)N A603690 C1[C@@H](CC[C@@H](C1)O)N.Cl A603695 C1[C@@H](CC[C@H](C1)O)N.Cl A603696 COc1cccc(c1OC)[C@H](c2cc(ccc2N)Cl)O A603700 C(C(C(=O)NO)N)Cl A603710 [2H]C([2H])(C([2H])(C(=O)[15NH]O)N)Cl A603712 COC(=O)c1c(c(ccn1)N)Cl A603715 C(CCCCCO)CCCCN A603720 CCCCC/C=C/[C@H]([C@H](CO)N)O A603735 CCCCC/C=C/[C@H]([C@H](COCC)N)O A603745 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCCCCN.Cl A603750 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)Cl A603775 CS(=O)(=O)SCCCCCCCCCCN.Br A603790 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)NC(=O)CCC(=O)ON6C(=O)CCC6=O A603820 CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)N)C A603860 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CN)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O A603900 C(C1[C@H]([C@@H](C([C@@H](O1)[O])O)O)O)N.Cl A603950 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C3=N)N)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O A603960 CC1(O[C@@H]2[C@@H](O1)O[C@@H](C2O)C(CN)O)C.Cl A603975 CC1(O[C@@H]2[C@@H](O1)O[C@H](C2O)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)C A603985 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)N)O)O.Cl A604000 Cc1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)CO)N A604250 CC(Cc1ccc(cc1)N)N(C)CC#C A604300 [2H]C([2H])([2H])N(CC#C)C(C)Cc1ccc(cc1)N A604302 CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A604330 c1ccc2c(c1)-c3ccccc3NC(=O)[C@H]2N A604380 c1ccc2c(c1)c3cc(ccc3o2)N A604400 c1ccc(cc1)C[C@@H](C(=O)/C=C(/Cc2ccccc2)\N)N(Cc3ccccc3)Cc4ccccc4 A604475 CC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)N.Cl A604600 c1c(cc(c(c1C=O)N)Br)Br A604610 c1c(cc(c(c1CO)N)Br)Br A604615 CCCCn1c(c(c(=O)n(c1=O)CCCC)N=O)N A604620 CCCCn1c(cc(=O)n(c1=O)CCCC)N A604625 c1c(c(nc(n1)Cl)Cl)N A604720 c1nc(c(c(n1)Cl)N)Cl A604725 c1cc(c(c2c1N=C(NC2)N)Cl)Cl.Br A604730 C(=O)Nc1c(nc(nc1Cl)N)Cl A604735 c1cc(c(c2c1N=C(N(C2)CC(=O)O)N)Cl)Cl A604740 c1cc(c(c2c1N=C(N(C2)CC(=O)O)N)Cl)Cl.Br A604745 c1(nc(nc(n1)Cl)Cl)N A604750 c1ccc(cc1)COC(=O)CN2Cc3c(ccc(c3Cl)Cl)N=C2N.Br A604760 c1c2cc(c(c(c2ncc1Cl)C(=O)O)Cl)N A604780 CCOC(Cc1c(ncnc1O)N)OCC A604850 CCN(CC)CCc1cccc(c1)N A604860 C(C(CO)O)NC(=O)c1c(c(c(c(c1I)N)I)C(=O)O)I A604865 Cn1c(nc(=O)c(=O)[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O A604870 CCOC(Cc1c(nc(nc1O)S)N)OCC A604875 c1ccc2c(c1)c(c3c(n2)CCCC3=O)N A604880 CCc1cc(cc(c1N)CC)CCCO A604885 CCCc1c2c(nc(n1)N)CC(CC2=O)(C)C A604888 COc1ccc2c(c1)C(=O)C(CC2)[N-]Cl A604890 CN1c2ccccc2-c3ccccc3[C@@H](C1=O)N A604895 Cn1c2ccc3c(c2nc1N)ccc(=O)[nH]3 A604900 c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)O A604905 c1(c(nc(nc1O)N)O)[N+](=O)[O-] A604910 c1(c(nc(nc1[O-])O)N)N=O.[Na+] A604915 CC(C(=O)c1ccc(c(c1)O)O)N A604917 c12c([nH]c(n1)O)nc(nc2O)N.Cl A604921 COc1cc(nc(n1)N)OC A604925 [2H]C([2H])([2H])Oc1cc(nc(n1)N)OC([2H])([2H])[2H] A604927 c1c(nc(nc1O)N)O A604930 COc1cc(c(cc1OC)N)C(=O)O A604940 CC(Cc1ccc(c(c1)OC)OC)(C#N)N.Cl A604945 COC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N A604950 c1c2c(cc(c1O)O)OC(=O)[C@H](C2)N.Cl A604955 CC(C(=O)c1ccc(c(c1)OC)OC)N.Cl A604960 CN(CCC#N)c1nc2cc(c(cc2c(n1)N)OC)OC A604965 [2H]C([2H])([2H])N(CCC#N)c1nc2cc(c(cc2c(n1)N)OC)OC A604967 CN(CCCN)c1nc2cc(c(cc2c(n1)N)OC)OC.Cl A604970 [2H]C([2H])([2H])N(CCCN)c1nc2cc(c(cc2c(n1)N)OC)OC A604972 Cc1cc(cc(c1N)C)CCCO A604985 Cn1c2ccc(cc2n(c1=O)C)N.Cl A604995 [2H]C([2H])([2H])n1c2ccc(cc2n(c1=O)C([2H])([2H])[2H])N.Cl A604997 Cc1ccccc1c2ccc(c(c2)C)N A605000 Cc1cc2c(o1)cc3c(n2)nc(n3C)N A605070 Cc1ccccc1c2ccc(c(c2)C)N.Cl A605150 Cc1c(=O)n(c2c(n1)c(nc(n2)C)N)[C@H]3C[C@H]([C@H](O3)CO)O A605170 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605172 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605173 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605174 CC1C(=O)C(C(=O)C(=C1N)C(=O)CC#N)C A605175 [2H]C([2H])([2H])NC(=O)c1c(ncn1C)N A605177 CNC(=O)c1c(ncn1C)N A605178 Cc1cc2c(nc1)nc(n2C)N A605180 Cc1cc2c(cccn2)c3c1n(c(n3)N)C A605200 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)cccn3)C A605202 Cc1cc2c(cccn2)c3c1n([13c](n3)N)C A605300 Cc1cc2c(cccn2)c3c1n([14c](n3)N)C A605400 Cc1cnc2c(n1)ccc3c2nc(n3C)N A606550 Cc1cnc2ccc3c(c2n1)nc(n3C)N A606600 Cc1cnc2ccc3c(c2n1)[15n][13c]([15n]3C)N A606602 Cc1cnc2ccc3c(c2n1)n[13c](n3C)N A606700 Cc1cnc2ccc3c(c2n1)n[14c](n3C)N A606800 Cc1cnc2c(cc3c(c2n1)nc(n3C)N)Nc4[nH]c(=O)c5c(n4)n(cn5)[C@H]6CC([C@H](O6)CO)O A606815 Cc1c(noc1N)C A606835 [2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nc(cn3)C A606850 Cc1cc(c(nc1C)N)NC A607045 Cn1c(c(c(=O)n(c1=O)C)N=O)N A607175 Cc1cc(cc(c1N)C)/C=C\C#N A607330 [2H]C([2H])([2H])c1cc(cc(c1N)C([2H])([2H])[2H])/C=C\C#N A607332 Cc1cc(cc(c1N)C)/C=C/C#N.Cl A607340 [2H]C([2H])([2H])c1cc(cc(c1N)C([2H])([2H])[2H])/C=C/C#N.Cl A607342 CC(C)(CN)C(=O)N A607370 [2H]C([2H])([2H])C(CN)(C(=O)N)C([2H])([2H])[2H] A607372 CC(C)(CN)CO A607380 Cc1c(=O)[nH]c2c(n1)c(nc(n2)C)N.CC(=O)O A607415 Cc1c(nc2c(n1)c(nc(n2)C)N)[O-].[Na+] A607420 Cc1cn(nc1N)C A607430 Cc1c(cn(n1)C)N A607435 Cc1cc(n(n1)C)N A607440 Cc1c(cnn1C)N A607445 Cc1c2c(c(nc1N)C)c3ccccc3[nH]2.CC(=O)O A607500 Cc1c2c3ccccc3[nH]c2c([13c](n1)[15NH2])[13CH3].CC(=O)O A607502 Cc1c2c(c(n[14c]1N)C)c3ccccc3[nH]2.CC(=O)O A607600 Cc1ccc(nc1C)N A607640 Cc1cc(nc(n1)N)C A607720 Cc1cc(nc(n1)C)N A607725 Cn1cnc2c1c(=O)n(c(=O)n2C)N A607870 [2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])N A607872 Cc1ccc(cc1)S(=O)(=O)N[C@H](c2ccccc2)[C@@H](c3ccccc3)N A607875 c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N A607880 CCOc1cc(ccc1N2C(=O)c3ccccc3C2=O)N A607885 CCCn1c(c(c(=O)n(c1=O)CCC)N=O)N A608000 CCCn1c(cc(=O)n(c1=O)CCC)N A608070 C1C([C@H]([C@@H](C(N1CCCCCCCCCCCCN)CO)O)O)O A608080 c1ccn2c(c1)nc3c2nc(cc3)N.Cl A608800 C.c1ccn2c(c1)nc3c2nc(cc3)N A608801 c1ccn2c(c1)nc3c2n[13c]([13cH][13cH]3)N.Cl A608802 COC(=O)CCCCCCCCCCCN.Cl A608807 C(CCCCCCO)CCCCCN A608810 [2H]C([2H])([2H])Oc1ccccc1OCCN A608812 CS(=O)(=O)SCCCCCCCCCCCCN.Cl A608814 [2H]C([2H])([2H])Oc1cc(ccc1OCCN)O A608816 COc1cc(ccc1OCCN)O A608817 COc1ccc(cc1OCCN)O A608818 CCOc1ccccc1OC(c2ccccc2)C(CN)O.CS(=O)(=O)O A608820 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC(c2ccccc2)C(CN)O.CS(=O)(=O)O A608822 c1c2c(cc(c1NCCN)Cl)n(cc(c2=O)C(=O)O)C3CC3 A608824 C(CSS(=O)(=O)CCN)N A608825 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN)NC(=O)N2 A608830 C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N A608835 c1cc(ccc1C(=O)NCCN)Cl.Cl A608840 [2H]C([2H])(C([2H])([2H])O)NCCN A608842 COC(=O)c1cccc(c1)CCN A608845 c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl A608850 C.c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl A608851 C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])N A608855 CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN A608860 CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCN A608865 C(COCCOCCOCCOCCOCCN=[N+]=[N-])N A608870 CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN A608875 C(COCCOCCOCCOCCN=[N+]=[N-])N A608880 CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN A608885 Cc1cc(c(c(c1CC(=O)NCCN)C)O)C(C)(C)C.Cl A608890 c1cc(c(cc1C(=O)O)F)N A609620 Cc1cc(c(s1)N)C(=O)c2ccccc2F A609622 c1ccc(c(c1)C(=O)c2cc(ccc2N)Br)F A609625 [13CH2]([13C@H]([13C](=O)O)F)N A609632 c1ccc(c(c1)C(=O)c2ccc(cc2)F)N A609635 CC(C)S(=O)(=O)c1ccc(c2c1ccc(n2)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5)O A609640 CC(=O)N1CSC[C@H]1C(=O)O A609645 [2H]C([2H])([2H])C(=O)N1CSC[C@H]1C(=O)O A609647 CC(C)Cn1c(c(c(=O)n(c1=O)C)NC=O)N A609650 c1[nH]c(=O)c(c(n1)N)NC=O A609660 Cn1c(=O)c(c([nH]c1=O)N)N(C)C=O A609670 c1c(nc-2c(=O)nc(nc2[nH]1)N)C=O A609685 [C@@H]1([C@H]([C@H](OC([C@@H]1N)O)C(=O)O)O)O.Cl A609690 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\C)C)O)OC A609700 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)[15NH2])/C)OC)O[13C](=O)[15NH2])\C)C)O)OC A609702 c1cc(ccc1c2cc(=O)c3cc(ccc3o2)O)N A609750 CCC1(CCC(=O)NC1=O)c2ccc(cc2)N A609810 CC[C@]1(CCC(=O)NC1=O)c2ccc(cc2)N.C(C(C(=O)O)O)(C(=O)O)O A609815 COc1ccc(nc1)N A611959 Cc1cc2c(cccn2)c(c1NC)N A611960 CO/N=C(/c1csc(n1)N)\C(=O)O A611965 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)O A611967 Cc1cc(c(cc1S(=O)(=O)O)OC)N A611970 COC(=O)/C(=N\OC)/c1csc(n1)N A611975 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)OC A611977 CNc1cc(cnc1N)c2ccccc2 A611980 C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)NC(=O)/C(=N\OC)/c5csc(n5)N)SC2)C(=O)[O-] A611985 [2H]C([2H])([2H])Nc1ccc(cc1N)C(=O)N(CCC(=O)OCC)c2ccccn2 A611992 COc1ccnc(c1)N A611995 [2H]C([2H])(C([2H])([2H])NC(=O)Cc1c(cc(c(c1C)O)C(C)(C)C)C)N.Cl A608892 CC(C)(C)OC(=O)N(C)CCN A608895 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCN.Cl A608900 c1ccc2c(c1)C(=O)N(C2(c3ccc(cc3)Cl)O)CCN.Cl A608910 [2H]C([2H])(C([2H])([2H])N1C(=O)c2ccccc2C1(c3ccc(cc3)Cl)O)N.Cl A608912 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)N(C1)CCN A608925 C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)N.Cl A608930 [2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)N.C A608932 CC(C(=O)NCCN)Oc1c(cccc1Cl)Cl A608935 c1cc(c(cc1SSCCN)C(=O)O)[N+](=O)[O-] A608940 Cc1cc(cc(c1CC(=O)NCCN)C)C(C)(C)C A608945 [2H]C([2H])(C([2H])([2H])NC(=O)Cc1c(cc(cc1C)C(C)(C)C)C)N A608947 C(CSSCCN)C(=O)O A608950 C1COC(O1)CCN A608960 CC1(OCCO1)CCN A608965 C(CNCC(=O)O)N A608975 c1cc2ccncc2c(c1)S(=O)(=O)NCCN A608995 c1cc2cnccc2c(c1)S(=O)(=O)NCCN A609000 c1cc2cnccc2c(c1)S(=O)(=O)NCCN.Cl A609001 C(CON)N A609020 CCOCc1cnc(nc1N)C A609035 C1=CC(=O)N(C1=O)CCN.C(=O)(C(F)(F)F)O A609050 CC(=O)N(C[C@H](CN)O)c1ccc(c(c1)F)N2CCOCC2.Cl A609075 CS(=O)(=O)SCCN.Br A609100 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)NCCSS(=O)(=O)C)C)C)(F)F A609160 CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CCN A609165 Cc1ncc(n1CCN)[N+](=O)[O-] A609170 [2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)NC(=O)OCC A609177 Cc1ccc(cc1)C(CN)O A609180 [2H]C([2H])([2H])c1ccc(cc1)C(CN)O A609182 CN1CCCC1CCN A609185 Cc1ccc(cc1)C(=O)CN.Cl A609190 [2H]C([2H])([2H])c1ccc(cc1)C(=O)CN.Cl A609192 Cn1c(nnn1)N A609195 c1cc2c(cccc2S(=O)(=O)O)c(c1)NCCN A609200 c1cc2c(cccc2S(=O)(=O)[O-])c(c1)NCCN.[Na+] A609250 c1cc2cccc(c2c(c1)NCCN)S(=O)(=O)O A609400 c1cc2cccc(c2c(c1)NCCN)S(=O)(=O)[O-].[Na+] A609405 c1cc(nc(c1[N+](=O)[O-])N)NCCN A609445 c1cn(nc1[N+](=O)[O-])CCN.Cl A609460 c1cc(ccc1CCN)S(=O)(=O)NC(=O)N[C@H]2CCC[C@H](C2)O.C(=O)(C(F)(F)F)O A609480 c1c(ccc(c1)S(=O)(=O)NC(=O)N[C@H]2CC[C@@H](CC2)O)CCN.C(=O)(O)C(F)(F)F A609490 CCN1CCCC(C1)NC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A609495 [2H]C([2H])([2H])C([2H])([2H])N1CCCC(C1)NC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A609497 CCc1ccnc(c1)N A609500 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)CSS(=O)(=O)[O-])NC(=O)N2.[Na+] A609520 CNCc1ccc(o1)CSCCN A609530 C[N+](C)(C)CCN.C(=O)(C(F)(F)F)O.[Br-] A609540 C#Cc1ccc(c(c1)N)O A609555 C#Cc1cc(ccc1O)N A609565 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N A609580 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N A609582 c1cc(c(c(c1)F)C#N)N A609585 c1cc(c(c(c1)F)O)N A609590 c1cc(c(cc1O)F)N A609595 c1cc(c(cc1F)O)N A609600 CS(=O)(=O)SC[C@@H](C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O)N.C(=O)(C(F)(F)F)O A609615 c1cc(c(cc1F)C(=O)O)N A609617 CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N.C(C(C(=O)O)O)(C(=O)O)O A609820 [HH].C(=O)O[O-].[13C](=N)(N)N[NH] A609847 c12c([nH]c(n1)N)nc([nH]c2=O)N A609860 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2N)O)O)O A609875 CC/C=C/[C@H]([C@H](CO)N)O A609950 CC/C=C/[C@H]([C@H](COCC)N)O A609960 C(COCCOCCOCCOCCOCCO)N A609980 C(CCC(=O)O)CCN A609985 C(C/C=C/C(=O)O)CN.Cl A609990 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN.Cl A610000 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCCCN.Cl A610500 C(CCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O)CCN A610650 CS(=O)(=O)SCCCCCCN.Br A610775 c1ccc2c(c1)cccc2S(=O)(=O)NCCCCCCN.Cl A611000 c1ccc2cc(ccc2c1)S(=O)(=O)NCCCCCCN.Cl A611050 CCCCCCc1cccc(c1)NC(=O)[C@H](CCP(=O)(O)O)N.Br A611070 C[N+](C)(C)CCCCCCN.Br.[Br-] A611080 [2H]C([2H])([2H])[N+](CCCCCCN)(C([2H])([2H])[2H])C([2H])([2H])[2H].Br.[Br-] A611082 C[N+](C)(C)CCCCCCN.Cl.[Cl-] A611085 C1C(=O)NC(=O)N1N.Cl A611090 [13CH2]1[13C](=O)N[13C](=O)N1N A611092 C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)O)N)C.Cl A611120 c/1(=N\N)\[nH][nH]c(=S)n1N A611170 CC(=O)c1cccc(c1O)N.Cl A611180 C(C(C(=O)O)N)NO A611190 C(C(C(=O)O)N)[15NH]O A611192 c1cc(c(cc1CC(=O)O)N)O A611195 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O A611200 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O)NC(=O)N A611203 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O)N3CCCNC3=O A611205 c12c([nH]c(nc1=O)N)[nH]c(=S)[nH]2 A611210 c1([nH]c(nc(=O)n1)Cl)N A611220 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)O A611225 C1CC(C1)CC(C(C(=O)N)O)N.Cl A611230 C(CCN)CC(CO)CO A611235 CCOC(=O)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)N A611240 Cc1c(onc1O)CC(C(=O)O)N.O A611250 Cc1c(c(no1)O)CC(C(=O)O)N A611500 Cc1c(c(no1)O)C[13CH]([13C](=O)O)[15NH2] A611502 Cc1c(c(no1)O)CC(C(=O)O)N.Br A611550 c1cc(ccc1Nc2ccc(c3c2ccc(c3)S(=O)(=O)O)N)O A611570 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](Cc3ccccc3)N)O A611580 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)N)O A611582 CC(CN)C(=O)O.Cl A611585 [2H]C([2H])([2H])C(CN)C(=O)O.Cl A611587 c1cc2c(cc1N)CNC2=O A611590 c1cc2c(cc1N)C(=O)NC2 A611595 c1ccc2c(c1)cncc2N A611600 c1cncc(c1N)O A611605 c1cc(ncc1O)N A611610 Cc1ccc(cc1)c2c3c(ncnc3n(c2C(=O)CCl)CCCO)N A611615 [2H]C([2H])(C([2H])([2H])n1c(c(c2c1ncnc2N)c3ccc(cc3)C)C(=O)CCl)C([2H])([2H])O A611617 CC1([C@@H](NC(S1)CNC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C A611620 CC(C)C([C@@H](C(=O)O)N)O.Cl A611625 c1c(nc(s1)N)CO A611630 c1cc(nc2c1ccc(n2)O)N A611635 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-].C(=O)(C(F)(F)F)O A611640 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](CSc3ccccc3)N)O A611645 CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](CSc3ccccc3)N)O A611650 c1ccc(cc1)SC[C@@H](C(CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N A611655 c1cc(ccc1CC(=O)N)OCC(CN)O A611656 c1cc(c(nc1)N)O A611658 c1c(cnc(n1)N)O A611660 c1c(ncnc1O)N A611665 CCCCCCCCC/C=C/[C@H]([C@H](C(=O)OCC)N)O A611670 c1cc2ccc(nc2c(c1)O)N A611675 c1cc2c(ccc3c2nc([nH]3)N)nc1 A611680 c1[nH]c(c(n1)C#N)N A611685 c1[nH]c(c(n1)N)C(=O)N A611690 c1[nH][13c]([13c]([15n]1)C(=O)N)N.Cl A611692 CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N)C.Cl A611695 c1nc(c(n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)C(=O)N A611700 c1[15n][13c]([13c](n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)C(=O)N A611702 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C(=O)N A611705 c1cnc([nH]1)N A611706 c1ccc2c(c1)cc([nH]2)N.Cl A611707 c1cc(c2cc[nH]c2c1)N.Cl A611709 c1cc2c(cc[nH]2)cc1N A611710 c1ccc2c(c1)CC[C@H]2N A611715 c1ccc2c(c1)CC[C@@H]2N.Cl A611716 [2H][C@@]1(c2ccccc2CC1([2H])[2H])N.Cl A611717 [2H][C@]1(c2ccccc2CC1([2H])[2H])N A611718 c1cc(ncc1I)N A611720 c1ccn2c(c1)ncc2N A611725 CC(C)Cn1c(c(c(=O)n(c1=O)C)N=O)N A611730 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](CC2COC(=O)c3ccccc3)n4cnc5c4c(nc(n5)N)I A611735 CC(C)Cn1c(cc(=O)n(c1=O)C)N A611740 CC(C)Cn1c(cc(=O)[nH]c1=O)N A611742 c1cncc(c1C(=O)O)N A611745 CC(C)Nc1nc(nc(n1)Cl)N A611750 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)Cl)N A611752 C(=N)(N)S(=O)(=O)O A611755 [13C](=[15NH])([15NH2])S(=O)(=O)O A611757 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H](C(CCCO)O)NC(=O)OCc2ccccc2 A611760 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C(=O)N A611765 c1cc2cnccc2c(c1)N A611770 c1cc(ccc1[C@H]2CN3CCSC3=N2)N A611775 C(CC(=O)O)C(=O)CN.Cl A611780 C([13CH2]C(=O)CN)C(=O)O.Cl A611782 CCN(CC)CC(=O)Nc1c(ccc(c1C)N)C A611785 C(CC(=O)O)CNC(=O)C(C(=O)NCCCC(=O)O)N.C(=O)(C(F)(F)F)O A611790 C(C(=O)N)(C(=O)N)N A611795 C(CNC(=O)C(C(=O)NCCC(=O)O)N)C(=O)O.C(=O)(C(F)(F)F)O A611810 c1c([nH]cn1)N A611815 C(C(C(=O)O)Cl)SC(=[NH2+])N.[Cl-] A611820 c1ccc2c(c1)CC(C2)N A611825 c1[nH]c2c(n1)c(nc(n2)N)S A611830 c1[nH][13c]2[13c]([15n]1)c(nc(n2)N)S A611832 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc(c3N)C(=O)N)C A611840 c1nc2c(n1[C@H]3[C@H](C([C@H](O3)CO)O)O)nc(nc2S)N A611850 c1cc(c(cc1N)S)O.Cl A611870 c1c2c(nc(nc2[nH]n1)S)N A611900 COC[C@@H]1CCCN1N A611925 c1cnc(=S)[nH]c1N A611930 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3S)N)OC(=O)C)OC(=O)C A611935 C([C@@H]1[C@@H](C2[C@@H](O1)N=C(O2)N)O)O A611940 CN(C(=O)c1cc(ccc1N)[N+](=O)[O-])OC A611943 COc1cc(nc(n1)SC)N A611945 COc1ccnc(c1[N+](=O)[O-])N A611947 COc1cc(ccc1O)N.Cl A611948 COc1ccc(cc1)C(CN)C2(CCCCC2)O A611950 COc1ccc(cc1N)c2nc3cc(ccc3o2)c4ccccc4 A611955 CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A611956 [2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A611957 COc1cnc(nc1)N A611958 CNCC(C(=O)O)N.Cl A612000 [2H]C([2H])([2H])NCC(C(=O)O)N.Cl A612002 CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N A612500 [2H]C([2H])(C([2H])([2H])N1CCOCC1)NC(=O)[C@H]([C@@H](C)CC)N A612502 CNc1ccc2c(c1N)cccn2 A613085 [2H]C([2H])([2H])Nc1ccc2c(c1N)cccn2 A613087 CNc1ccc2cccnc2c1N A613090 CNc1ccc2c(c1N)nccn2 A613125 Cn1cnc(c1C(=O)N)N A613135 Cc1cc2c(cccn2)c(c1N(C)N=O)N A613150 c1cc(c(=O)[nH]c1)CN.Cl A617800 Cc1c2c3ccccc3[nH]c2cc(n1)N.CC(=O)O A618001 Cc1c2c3ccccc3[nH]c2[13cH][13c](n1)[15NH2].CC(=O)O A618002 CO/N=C/1\CNCC1CN A618215 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)N A618220 Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)N A618225 CC1(CC(C(N1[O-])(C)C)CN)C A618230 Cc1cnc(s1)N A618235 CCOC(=O)c1cnc(nc1N)SC A618240 Cn1c(=O)cc(nc1SC)N A618245 [2H]C1(CCc2c(c(c3ccccc3n2)N)C1([2H])O)[2H].C(=C\C(=O)O)\C(=O)O A629902 [2H]c1c(c(c2c(c1[2H])c(c3c(n2)CCCC3O)N)[2H])[2H].Cl A629903 CCOC(=O)N1CCc2c(sc(n2)N)CC1 A629920 CCOC(=O)N1CCCc2c(sc(n2)N)C1 A629925 CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C A629930 COc1ccc(c2c1CC[C@@](C2)([13C](=O)OC)N)OC A629937 c1c2c(c(cn1)N)CCCC2 A629940 c1ccc2c(c1)CCC[C@@H]2N A629950 C1CN(C(=O)OC1)N A629960 CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)N)O.Cl A629970 C1CNC(=NC1)N.Cl A629980 Cc1ccc(c(c1)C(=O)O)N A614050 CC(=N)NCc1cccc(c1)CN A614100 c1cc(ccc1CN)CO A614250 [2H]C([2H])(c1cccc(c1C)N)O A614350 [2H]C([2H])(c1cccc(c1C)N)Br.Br A614357 c1cc(ccc1CN)COc2c3c(nc[nH]3)nc(n2)N A614372 Cc1cc(ccc1N)c2ccccc2 A614425 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(c(c2)C)N)[2H])[2H] A615000 Cc1cc(ccc1N)c2ccccc2.Cl A615002 C[C@@](CC(=O)O)(C(=O)O)N.Cl A615010 CCOC(=O)/C(=C(/C)\N)/C A615265 CC(C)CC(c1ccccc1N)N A615275 CC(CC(=O)O)CN.c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O A615290 c1ccc(c(c1)C2=NCC(Nc3c2cc(cc3)Cl)CN)F A615300 c1ccc(c(c1)C2=NCC(Nc3c2cc(cc3)Cl)CN)F.C(=C\C(=O)O)\C(=O)O A615355 c1ccc(c(c1)C2=NC[13CH](Nc3c2cc(cc3)Cl)CN)F A615360 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCC(=O)NCC2CN=C(c3cc(ccc3N2)Cl)c4ccccc4F)C(=O)OC)OC(=O)C A615362 Cc1cc(=O)oc2c1ccc(c2)N A615375 C1CC(=CCC1CN)C(=O)O A615425 Cc1c(=O)n(c2c(n1)c(ncn2)N)[C@H]3C[C@H]([C@H](O3)CO)O A615530 CCN(CC)C(=O)CC(CC(C)C)CN.C(C(C(=O)O)O)(C(=O)O)O A615680 COc1cc2c(cc(=O)oc2cc1OC)CN A615875 CC(=O)O.COc1cc(cc(c1CN)OC)OCCCCC(=O)O A615900 CC1(O[C@H](C[C@H](O1)CN)CC(=O)OC(C)(C)C)C A615950 Cc1cccn2c1nc3c2nc(cc3)N.O.Cl A616100 Cc1cccn2c1nc3c2n[13c]([13cH][13cH]3)N.O.Cl A616102 CC1(c2cc(ccc2N(C1=C)C)N)C A616140 CC(C)(c1nc(c(c(=O)n1C)O)C(=O)NCc2ccc(cc2)F)N A616150 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)N)C(=O)NCc2ccc(cc2)F)O A616152 CC(C)(C)OC(=O)CN(CC(CN)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C A616160 CCN1CCC[C@H]1CN A616175 c1cc(ccc1CN2CCOC(C2)CN)F A616180 c1cc(ccc1CN2CCOCC2CN)F A616185 c1cc2c(cc1F)CCC(O2)C(CN)O A616190 c1cc2c(cc1F)CC[C@H](O2)[C@@H](CN)O A616195 Cn1c2ccc3cnccc3c2nc1N A616200 Cn1c2ccc3cnccc3c2nc1N.Br A616210 CC(C)CCC(C)N A616220 Cn1c2ccc3ccncc3c2nc1N A616250 Cn1cnc(c1C(=O)O)N A616275 Cc1cccn2c1ncc2N A616320 Cn1c2cc3ccccc3nc2nc1N A616350 Cn1c2ccc3c(c2nc1N)cccn3 A616500 Cn1c2ccc3c(c2n[13c]1N)cccn3 A616600 Cn1c2ccc3c(c2n[14c]1N)cccn3 A616700 [2H]C([2H])([2H])n1c2ccc3c(c2nc1N)cccn3 A616720 Cn1c2ccc3cccnc3c2nc1N A616750 Cn1c2c3cccnc3ccc2nc1N A616800 c1cc2c(cc[nH]2)cc1CN A616825 Cc1ccc(c(n1)N)C#N A616850 Cn1c2ccc3c(c2nc1N)nccn3 A616900 [2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nccn3 A616902 Cc1c(c2ccccc2c(n1)N)C#N A616915 Cc1cc(no1)N A616920 Cc1cc(sn1)N.Cl A616930 CNc1c(n(c(=O)[nH]c1=O)C)N A616940 CC1(COC(N1O)(C)CN)C A616945 CN1CC[C@H]([C@@H]1c2cccnc2)CN A616950 Cc1cc(cnc1N)[N+](=O)[O-] A616955 Cc1ccnc(c1[N+](=O)[O-])N A616960 C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)N A616965 C[C@@H]1[C@@H](C(=O)N1S(=O)(=O)O)N A616970 c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CN A616975 [2H]c1c(c(c(c(c1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CN)[2H] A616977 CC[C@H](C)[C@@H](COC(Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)N.Cl A616985 Cn1c2cc(cnc2nc1N)c3ccccc3 A617000 Cn1c2cc(cnc2nc1N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c4ccccc4 A617005 Cn1c2cc(cnc2n[14c]1N)c3ccccc3 A617200 [2H]C([2H])([2H])n1c2cc(cnc2nc1N)c3ccccc3 A617350 Cc1ccc(cc1)Sc2c3c(nc(n2)N)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C A617360 c1ccc(cc1)Nc2c(cnc(n2)Nc3ccc(cc3)CN)F A617370 c1ccc2c(c1)C(OC2=O)CN.Cl A617385 CC(C)(C#N)N A617390 CC(C)(CO)N A617400 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])N A617402 CCCc1c(c(n(n1)C)C(=O)N)N A617415 CCCc1c(c(n(n1)C)C(=O)N)N.Cl A617420 CCCc1c(c(nn1C)C(=O)N)N A617425 Cn1cnc2c1ncnc2N A617450 Cc1cc(ccn1)N A617460 c1cc(cnc1)CN A617465 Cc1ccnc(c1)N A617470 [2H]c1c(nc(c(c1C([2H])([2H])[2H])[2H])N)[2H] A617472 Cn1c(ccn1)N A617475 Cc1cc([nH]n1)N A617480 Cc1ccncc1N A617485 [2H]c1c(c(c(nc1[2H])[2H])CN)[2H] A617492 Cc1ccc(nc1)N A617495 [2H]C([2H])([2H])c1ccc(nc1)N A617497 Cc1cc2c3ccccc3[nH]c2nc1N A617500 [2H]C([2H])([2H])c1cc2c3ccccc3[nH]c2nc1N A617502 CSc1nc(cc(n1)O)N A618250 Cc1cc2c(s1)Nc3ccccc3N=C2N.Cl A618255 Cc1cc(c(s1)N)C#N A618260 CSc1ncc(c(n1)N)CO A618265 Cc1cc(cc(n1)N)C(F)(F)F A618270 Cn1c(=O)cc([nH]c1=O)N A618275 [2H]C([2H])([2H])n1c(=O)cc([nH]c1=O)N A618277 c1csc(n1)CN A618280 CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)N)O)C(=O)N)O)N(C)C)O A618285 c1cc(ccc1CN2CCOCC2)c3cc(c(s3)C(=O)N)N A618295 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)N A618300 [2H]C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3)N A618302 c1cc2cc(ccc2c(c1)N)S(=O)(=O)O A618325 c1cc2c(cccc2S(=O)(=O)N)c(c1)N.Cl A618350 c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N A618360 CN1CCCC1c2cccnc2N A618370 CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3c2)C#N)N A618375 c1cc(c(nc1)N)C(=O)O A618380 c1cc(ncc1C(=O)O)N A618385 c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)N A618390 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)N)[2H])[2H] A618392 c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O A618394 c1cc(c(cc1N)C(=O)O)[N+](=O)[O-] A618395 c1cc(c(cc1C#N)[N+](=O)[O-])N A618398 c1ccc(cc1)C(=O)c2cc(ccc2N)[N+](=O)[O-] A618400 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2N)[N+](=O)[O-])[2H])[2H] A618402 c1cc-2c(cc1N)Cc3c2ccc(c3)[N+](=O)[O-] A618405 c1ccc(c(c1)C(=O)c2cc(ccc2N)[N+](=O)[O-])Cl A618410 COCOc1ccc(c(c1)[N+](=O)[O-])N A618415 c1ccc(c(c1)C(=O)c2cc(ccc2N)[N+](=O)[O-])F A618420 c1cc(sc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N A618425 c1cc(nc(c1[N+](=O)[O-])N)NCCNC(=N)N.Cl A618430 c1c(cnc(n1)N)[N+](=O)[O-] A618435 Cc1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)N A618440 [2H]C([2H])([2H])c1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)N A618442 Cn1c(=O)c(c([nH]c1=O)N)N=O A618445 [2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)N=O A618447 CCCOc1ccccc1c2[nH]c(=O)c(c(n2)N)N=O A618450 c1(c([nH]c(=S)[nH]c1=O)N)N=O A618455 c1(c(=O)[nH]c(=S)[nH][13c]1N)[15N]=O A618457 c1cc(c(cc1N)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] A618460 c1(c([nH]c(=S)[nH]c1=O)N)[N+](=O)[O-] A618465 c1(=O)[13c]([13c]([nH]c(=S)[nH]1)N)[15N+](=O)[O-] A618467 c1cc(ccc1CNc2ccc(c(n2)N)[N+](=O)[O-])F A618470 [2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)[N+](=O)[O-])[2H])[2H])F)[2H] A618472 c1c(c(cc(c1N)O)[N+](=O)[O-])C(F)(F)F A618475 c1cc(c(cc1[N+](=O)[O-])N)O A618480 c1cc(c(cc1O)[N+](=O)[O-])N A618485 c1(c([nH]c(=O)[nH]c1=O)N)[N+](=O)[O-] A618495 c1cc(ccc1CC(C(=O)N)N)[N+](=O)[O-] A618500 CCCCCC[C@H]([C@H](C)O)N A618520 CCCCCC[C@H]([C@@H](C)O)N A618525 c1cc(ccc1N)NC(=O)C(=O)O A618565 [2H]C1(C(OC(=O)N1N)([2H])[2H])[2H] A618572 CC[C@@H](C(=O)N)NC(=O)CCCCl A618580 [2H]C([2H])([2H])C[C@@H](C(=O)N)NC(=O)CCCCl A618582 CC(=O)CC[C@@H](C(=O)O)N.Br A618585 c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CON A618595 C(CON)N(CC(=O)O)CC(=O)O.Cl A618600 C[C@@H](C(=O)CCCCCC(=O)O)N A618750 c1ccc(cc1)C[C@@H](C(=O)N2CCCC2)N A618760 c1ccc(cc1)C[C@@H](C(=O)N2CCCC2)N.C(=O)(C(F)(F)F)O A618770 c1ccc(cc1)SC[C@@H](CC(=O)N2CCOCC2)N A618775 C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N A618780 c1cc2c(=O)cc(oc2c(c1)N)c3[nH]nnn3 A618785 c1cc(sc1)[C@@H]2CNC(=O)[C@H](CS2)N A618795 c1cc(sc1)[C@H]2CNC(=O)[C@H](CS2)N A618796 CC1(C[C@H]([C@H](C(N1O)(C)C)C(=O)O)N)C A618875 CC1(C[C@@H]([C@H](C(N1[O])(C)C)C(=O)O)N)C A618885 CC[C@H](CC#N)N.CS(=O)(=O)O A618890 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C A618895 CC1([C@@H]([C@H](C(N1[O])(C)C)N)C(=O)O)C A618905 C(CON)CS.Cl A618910 c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)CCc5ccc(cc5)N A618915 c1cc(ccc1N)O A618920 [13cH]1[13cH][13c]([13cH][13cH][13c]1N)O A618922 Cc1ccc(c(c1)OCCOc2ccccc2N)N A618925 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)N A618940 [2H]C([2H])([2H])NC(=O)c1cc(ccn1)Oc2ccc(cc2)N A618942 CCOC(CCCCN)OCC A618945 [2H]C([2H])(C)C([2H])(C([2H])([2H])C)N A618952 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)CCCCN A618960 CC(CCCO)N A618965 [2H]C([2H])(CC(C)N)C([2H])([2H])O.Cl A618967 c1cc(cnc1)C(=O)CCCCN A618970 [2H]C([2H])(CC(=O)OC)C([2H])([2H])CN.Cl A618982 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCN.Cl A619000 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCCN.Cl A619500 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCN)C(=O)O A619600 C1=CC(=O)N(C1=O)CCCCCN.C(=O)(C(F)(F)F)O A619900 CS(=O)(=O)SCCCCCN.Br A619950 CN(CCCCC[NH])CCN(Cc1ccc(cc1)OC)c2ccccn2.C(=C\C(=O)O)\C(=O)O A620125 c1ccc2c(c1)cccc2S(=O)(=O)NCCCCCN.Cl A620500 Cc1c(c(=O)n(n1C)c2ccccc2)N A621000 [2H]C([2H])([2H])n1c(c(c(=O)n1c2ccccc2)N)C A621002 c1ccc(cc1)Oc2ccc(cc2)CCNc3c4cc(ccc4ncn3)N A621350 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)N A621600 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)N)CO)O)O A622000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)N)CO)O)O A622050 c1cc(cc(c1)N)CC(=O)O A622250 c1cc(ccc1C[C@@H](C(=O)O)N)N.Cl A622375 Cc1cc(c(s1)Nc2ccccc2N)C#N A622420 c1cc(ccc1N)[As]=O A622500 COC(=O)C1CN(C1)c2cccc(c2)N A622525 B(c1cccc(c1)N)(O)O.O A622530 c1ccc(c(c1)CCCC(=O)O)N.Cl A622545 c1cc(cc(c1)N)CCCC(=O)O.Cl A622550 c1cc(ccc1N)O[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O A622590 C[C@@H]1CC(=O)NN=C1c2ccc(cc2)N A622630 C/C(=N\c1ccc(cc1)N)/N(C)C A622650 [2H]C([2H])([2H])N(/C(=N/c1ccc(cc1)N)/C)C([2H])([2H])[2H] A622652 c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N.Cl A622670 c1cc(ccc1[C@@H]([C@H](CO)N)O)[N+](=O)[O-] A622685 c1cc(ccc1N)[As](Cl)Cl.Cl A622700 c1ccc(c(c1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A623995 c1ccc(c(c1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O.Cl A624000 c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A624005 c1cc(ccc1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A624010 c1cc(ccc1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O A624700 c1cc(ccc1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O A624995 c1cc(ccc1N)O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O.Cl A625000 c1cc(ccc1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O A625200 CC[C@@H](CC(=O)N1[C@@H](COC1=O)c2ccccc2)c3cccc(c3)N A625400 CCOC(=O)/C=C/C#Cc1cccc(c1)N.C(=O)(C(F)(F)F)O A625800 c1ccc(cc1)CCN2CCC(CC2)Nc3ccccc3 A625875 [2H]c1c(c(c(c(c1[2H])[2H])Nc2ccccc2CC(=O)[O-])[2H])[2H].[Na+] A625957 c1ccc(cc1)NC(=O)CCCCCC(=O)Nc2ccccc2N A625980 c1cc(ccc1N)N2CCOCC2=O A625990 [2H]c1c(c(c(c(c1N)[2H])[2H])N2CCOCC2=O)[2H] A625992 C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(cc1)N A626000 c1ccc(cc1)[C@@H]([C@H](CO)N)O A626050 c1ccc(cc1)C[C@H](C(=O)N)N A626080 c1ccc(cc1)C[C@@H](C(=O)N)N A626085 c1ccc(cc1)c2cc(n[nH]2)N A626210 c1ccc(cc1)n2c(c(cn2)C#N)N A626250 c1ccc(cc1)n2c3c(cn2)c(ncn3)N A626500 c1ccc(cc1)c2ccc(nc2)N A626745 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(nc2)N)[2H])[2H] A626747 c1ccc(cc1)c2cccc(n2)N A626750 c1ccc2c(c1)c3ccncc3n2c4ccc(cc4)N A626800 [2H]c1c(c(c(c(c1N)[2H])[2H])n2c3ccccc3c4c2cncc4)[2H] A626802 c1cc(ccc1N)S[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O A626960 COc1ccc(cc1)[C@@H]([C@H](C(=O)OC)O)Sc2ccccc2N A626980 c1cc(ccc1N)S[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O.Cl A627000 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccccc2N)C(=O)OC)OC(=O)C A627190 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)N)C(=O)OC)OC(=O)C A627200 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Sc3ccc(cc3)N)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A627325 c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O)N A627515 c1ccc2c(c1)cnnc2N A627660 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cccc(c3c(=O)[nH]n2)N)CO)O)O A627700 c1cc(c(nc1)C(=O)O)N A627800 c1cnc(cc1N)C(=O)O A627805 c1cc(ncc1N)C(=O)O A627810 C(CCC(=O)O)CC(C(=O)O)N A627900 C1CNCCC1(C(=O)O)N A627925 C1C[C@@H](CNC1)N A627935 Cn1c(=O)cc(n(c1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N.C(=O)(C(F)(F)F)O A627960 C1C[C@@H](N(C1)N)C(=O)O A628000 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)OCC(CO[C@@H]2[C@H](OC([C@H]([C@H]2O)O)O)CO)N)O.Cl A628070 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O A628095 [2H]C([2H])(CO)C([2H])([2H])N A628132 CCC(=O)N[C@H]1CCc2c(sc(n2)N)C1 A628150 [2H]C([2H])([2H])CC(=O)N[C@H]1CCc2c(sc(n2)N)C1 A628152 [2H]C([2H])([2H])CC(=O)N[C@@H]1CCc2c(sc(n2)N)C1 A628157 CC(C#N)N A628180 CC(C)c1cc(cc(c1O)C(C)C)N.Cl A628200 CCCNc1c(c(=O)c1=O)N A628225 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1c(c(=O)c1=O)N A628227 c1ccc2c(c1)[nH]c(n2)CCCN A628240 c1cc(cc(c1)C(=O)O)CCCN.Cl A628245 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCN.Cl A628250 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCN.Cl A628300 C1=CC(=O)N(C1=O)CCCN.C(=O)(C(F)(F)F)O A628450 CS(=O)(=O)SCCCN A628600 C[C@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A628700 C(CN)COP(=O)(O)O A628750 C1CC(=O)N(C1)CCCN A628800 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N A628850 CCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)O A628870 c1c2c([nH]cn2)nc(n1)N A628886 c1nc(c2c(n1)n(cn2)CC(=O)O)N A628890 c1nc(c2c(n1)n(cn2)CCC(=O)O)N A628895 c1c2c(nc(n1)N)n(cn2)[C@H]3C([C@H]([C@H](O3)CO)O)O A628900 [2H]C([2H])(C([2H])([2H])O)n1cnc2c1ncnc2N A628912 c1nc(c2c(n1)n(cn2)CCNCCCCCO)N A628913 C[N+]1(CCCC1)c2c3c([nH]cn3)nc(n2)N.[Cl-] A628914 c1cn(c2n1c(=O)nc(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O A628915 [2H]C([2H])(C([2H])([2H])OCP(=O)(OCC)OCC)n1cnc2c1ncnc2N A628917 c1cnc(c(n1)C(=O)O)N A628925 COC(=O)c1cnc(cn1)N A628930 COC(=O)c1c(nccn1)N A628935 c1cn[nH]c1N A628950 C1C(=NNC1=O)N A628955 c1cc2c(n[nH]c2nc1)N A628960 c1cncc(c1C=O)N A628965 c1c2c(ncnc2[nH]n1)N A628970 c1c(cn[nH]c1=O)N A628973 c1cc(c(nc1)C=O)N A628975 c1cc(ncc1S(=O)(=O)O)N A628980 c1ccnc(c1)N A628985 c1cc[15n]c(c1)N A628987 C.c1cc(cnc1)C(=O)CCCN A628990 c1cc(c(nc1)N)CO A628995 c1ccc2c(c1)c3ccc(nc3[nH]2)N A629000 c1ccc2c(c1)c3ccc([15n]c3[15nH]2)[15NH2] A629002 c1cc(nc2c1C3C=CC=CC3=N2)N A629005 c1c[n+](ccc1N)[O-] A629010 c1c[nH]c(=O)cc1N A629020 c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] A629045 c1c(cnc(n1)N)C#N A629060 c1c(cnc(n1)C#N)N A629065 c1c(ncnc1O)N A629075 CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N.Cl A629110 c1cc(c2cccnc2c1)N A629165 c1ccc2c(c1)ncc(n2)N A629170 C1CN2CCC1C(C2)N A629185 C1CN2CCC1[C@@H](C2)N A629190 [2H][C@]1(CN2CCC1CC2)N A629192 c1ccc(cc1)C2CN=C(O2)N A629200 [2H]c1c(c(c(c(c1[2H])[2H])C2CN=C(O2)N)[2H])[2H] A629202 CCOC(=O)c1cnn(c1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N A629210 CCCN1CCCCC1C(=O)Nc2c(ccc(c2C)N)C A629215 c1cc(c(cc1N)O)C(=O)O A629220 C1[C@H]2[C@@H](C(S1)CCCCC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O)NC(=O)N2 A629230 [2H]C([2H])(CC1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])CC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O A629232 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O)NC(=O)N2 A629235 c1cc2ccc3cc4c(cccc4NC(=O)CCC(=O)O)c5c3c2c(c1)cc5 A629250 Cn1c(c(c(=O)[nH]c1=O)N(C)C(=O)c2ccc(cc2)S(=O)(=O)N)N A629325 CS(=O)(=O)SCCNc1ccc(c2c1non2)S(=O)(=O)N A629350 c1c2c(cc(c1Cl)S(=O)(=O)NCN3CNS(=O)(=O)c4c3cc(c(c4)S(=O)(=O)N)Cl)S(=O)(=O)NCN2 A629375 c1cc(c2c(c1F)non2)S(=O)(=O)N A629400 CC(C)(C)OC(=O)NCCc1ccc(cc1)S(=O)(=O)N A629480 CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)N A629490 c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@H](C3)C(=O)N(CC4=O)N)c5ccc6c(c5)OCO6 A629550 CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O A629650 c1ccc2c(c1)c(c3c(n2)CCCC3)N.Cl A629700 c1ccc2c(c1)c(c3c(n2)CCCC3O)N.C(=C\C(=O)O)\C(=O)O A629900 Cc1cc2c(c3c1n(c(n3)N)C)nc(c(n2)C)C A630000 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)nc(c(n3)C)C)C A630002 [13CH3]C([C@@]1(Cc2c(c(c3c(c2O)C(=O)[13c]4cccc[13c]4C3=O)O)[C@H](C1)O)N)O A630077 Cc1cc2c(c3c1n([14c](n3)N)C)nc(c(n2)C)C A630200 CC1(CC(CC([15NH]1)(C)C)N)C A630240 CC1(CC(CC(N1O)(C)C)N)C A630260 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)N)N(C)C A630300 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)N)N(C)C A630305 c1nnc(s1)N A630315 C1CSC(=N1)N A630325 C1C(N=C(S1)N)C(=O)O A630330 C1C([15N]=[13C](S1)[15NH2])C(=O)O A630332 c1ccc2c(c1)Nc3c(cc(s3)C=O)C(=N2)N.Cl A630335 c12c([nH]c(=O)s1)nc([nH]c2=O)N A630340 CC(C)(C)OC(=O)CO/N=C(/c1csc(n1)N)\C(=O)O A630355 c1(nnc(s1)S(=O)(=O)N)N A630360 CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)NC(=O)CC=O A630365 c1cc(sc1)c2cc([nH]n2)N A630370 CC(C)(C)OC(=O)C(C)(C)O/N=C(/c1csc(n1)N)\C(=O)O A630375 c1c(nc(s1)N)/C(=N/O)/C(=O)NCC(O)O A630380 CC1C2=C(C(=O)O1)NC(SC2)C(C(=O)O)NC(=O)/C(=N\O)/c3csc(n3)N A630385 CC1C2=C(C(=O)O1)NC(SC2)CNC(=O)/C(=N\O)/c3csc(n3)N A630390 CCOC(=O)/C(=N\O)/c1csc(n1)N A630395 C.CC1(C=C(C(N1O)(C)C)CSC[C@@H](C(=O)O)N)C A630400 c1ccc(c(c1)N)S A630425 c1c([nH]c(=S)[nH]c1=O)N.O A630455 c1c(=O)[nH]c(=S)[nH][13c]1N A630457 [13cH]1c(=O)[nH]c(=S)[nH][13c]1N A630458 CCCN1C(CCC1=O)CC(=O)NC(=S)N A630480 C1[C@H](N=C(S1)N)C(=O)O A630500 C1[C@H](N=C(S1)N)C(=O)O A630505 c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)NC(=O)OCc3cncs3 A630520 c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N A630525 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2N)C#N)OC(=O)C)OC(=O)C A630660 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2N)C(=O)N)OC(=O)C)OC(=O)C A630670 c1nc(nc(n1)SCCS(=O)(=O)O)N A630680 [2H]C([2H])(C([2H])([2H])S(=O)(=O)O)Sc1ncnc(n1)N A630682 c1c([nH]nn1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O A630685 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ccnc3N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A630690 [2H]C([2H])([2H])Nc1cc(cnc1N)c2ccccc2 A630762 c1cc(c(cc1OC(F)(F)F)SC#N)N A630770 c1cc(c(cc1C(=O)O)C(F)(F)F)N A630780 c1c(cnc(n1)C(F)(F)F)N A630790 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)N A630800 c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O A630810 c1(c(c(c(c(c1I)N)I)C(=O)Cl)I)C(=O)Cl A630815 C1CCC2(CC1)O[C@@H]3[C@H]4[C@@H]([C@H]([C@@H]3O2)I)NC(=O)O4 A630820 COc1cc(cc(c1OC)OC)Cc2cnc([nH]c2=O)N A630830 Cc1cc2c(nc1C)nc(n2C)N A630850 Cc1cc2c(c3c1n(c(n3)N)C)nc(cn2)C A631000 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)nc(cn3)C)C A631002 Cc1cc2c(c3c1n([14c](n3)N)C)nc(cn2)C A631200 Cc1c(nc2c(n1)ccc3c2nc(n3C)N)C A631600 [2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nc(c(n3)C)C A631602 Cc1c(nc2c(n1)ccc3c2n[14c](n3C)N)C A631800 [2H]C([2H])(CN)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])CNC(=O)CN(C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 A631852 COC(=O)c1cccc(c1)OCCOCCOCCOCC[NH] A631910 C(COCCOCCOCCO)N A631975 CC(C)(C)OC(=O)N(C)CC(=O)NCCCOCCOCCOCCCN A631990 c1cc(c(cc1CC(C(=O)O)N)O)N A632020 C1(C(=O)NC(=NC1=O)N)NC(=O)N A632075 c1c(c(=O)[nH]c(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N.Cl A632125 Cc1ccc(c(c1N)C)O A632430 Cc1cc(cc(c1N)C)O A632435 C1CNC(=O)[C@H]([C@@H]1O[C@H]2C([C@H]([C@@H](CO2)O)O)O)O A632440 c1ccc(cc1)C[C@H](C(=O)O)ON.Br A632450 c1ccc(cc1)C[C@@H](C(=O)O)ON.Br A632500 c1cc[n+](cc1)CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-] A632580 C=CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A632600 CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I.Cl A632950 [2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I)N(CC)CC.Cl A632952 CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A633250 [2H]C([2H])([2H])C([2H])([2H])N1CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A633252 CC[N+]1(CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC)[O-] A633265 [2H]C([2H])([2H])C([2H])([2H])[N+]1(CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC)[O-] A633267 Cc1cc(c(cc1)/N=C/N(/C=N/c2c(cc(cc2)C)C)C)C A633320 CN(C)CCC=C1c2ccccc2CCc3c1cccc3.Cl A633350 [2H]C([2H])([2H])N(C)CCC=C1c2ccccc2CCc3c1cccc3.Cl A633352 [13CH3]N([13CH3])[13CH2]CC=C1c2ccccc2CCc3c1cccc3.Cl A633353 c1[nH]nc(n1)N A633380 [13cH]1[15nH][15n][13c](n1)N A633382 CC(C)c1ccc2c(c1)c(=O)c3cc(c(nc3o2)N)C(=O)O A633410 CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Cl)C(=O)OC)C)COCCN A633490 CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN A633491 [2H]C([2H])(C([2H])([2H])OCC1=C([C@@H](C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633492 [2H]C([2H])(C([2H])([2H])OCC1=C([C@H](C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633493 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN A633495 [2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633497 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN.c1ccc(cc1)S(=O)(=O)O A633500 [2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N.C(=C\C(=O)O)\C(=O)O A633502 CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Cl)C(=O)OC)C)COCCN.c1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O A633505 CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN.Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O A633506 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O A633515 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O A633520 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OCC)COCCN)C A633550 CC1=C(C(C(=C(N1)COCCN)C(=O)OC)c2ccccc2Cl)C(=O)OC A633560 c1([nH]c(=O)[nH]c(=O)n1)N A633650 [13c]1([nH][13c](=O)[nH][13c](=O)n1)N A633652 c1([nH]c(nc(=O)n1)N)N A633660 [13c]1([nH][13c](n[13c](=O)n1)N)N.Cl A633662 [15NH3] A633802 c1c(onc1[O-])C(=O)N.[NH4+] A633840 [13CH3][13C](=O)[O-].[NH4+] A633902 c1cc(c2c(c1F)non2)S(=O)(=O)[O-].[NH4+] A634000 CCC1(C(=O)NC(=O)NC1=O)CCC(C)C A634100 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CCC(C)C A634102 CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl A634200 [2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl)C([2H])([2H])C([2H])([2H])[2H] A634202 CN(C)CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O A634205 [2H]C([2H])([2H])N(CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O)C([2H])([2H])[2H] A634207 C[N+](C)(CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O)[O-] A634210 c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)CN4CCCC4)O A634215 c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)C[N+]4(CCCC4)[O-])O A634220 c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4 A634230 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Oc4c2cc(cc4)Cl)([2H])[2H])[2H] A634232 CC1(C(NC(S1)C2C(=O)NC(C(=O)N2)c3ccc(cc3)O)C(=O)O)C A634234 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C A634235 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13CH](c3ccc(cc3)O)[15NH2])C(=O)O)C A634236 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H]([13c]3[13cH][13cH][13c]([13cH][13cH]3)O)N)C(=O)O)C A634237 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4OS(=O)(=O)C(F)(F)F)C)C A637555 C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C A637560 [2H]C1(C[C@@]2([C@H]3CC[C@@]4(C=CC[C@H]4[C@@H]3CC[C@H]2C(C1([2H])O)([2H])[2H])C)C)[2H] A637562 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=CC(=O)CC[C@]34C A637565 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC=CC4)C A637570 c1cc2c(cco2)c3c1ccc(=O)o3 A637575 CC(C)(C)OC(=O)N1CC2[C@H](O2)[C@H]3C1COC(O3)c4ccccc4 A637580 C[C@]12CCC=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4OS(=O)(=O)C(F)(F)F)C A637590 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4[C@@]3(C=CC(=O)C4)C A637595 C[C@@](OC(=O)/C=C/c1ccc(cc1)O)(C2Oc3c(c4oc(=O)ccc4cc3)C2)C A637600 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A637605 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A637607 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C A634238 C[C@H](Cc1ccccc1)N A634240 C[C@@H](Cc1ccccc1)N.Cl A634245 [2H]C([2H])([2H])[C@@H](Cc1ccccc1)N.Cl A634246 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)N.Cl A634247 CC(Cc1ccccc1)N.Cl A634248 C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O A634250 C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)OC)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O A634255 CC1([C@@H](N[C@H](S1)[C@H](C(=O)O)NC(=O)C(c2ccc(cc2)O)N)C(=O)O)C A634265 c1cc2c(cc1C(=O)N3CCCCC3)nccn2 A634275 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C(=O)c2ccc3c(c2)nccn3)([2H])[2H])([2H])[2H])[2H] A634277 c1ccc2c(c1)CCc3ccccc3C2NCCCCCCC(=O)O A634280 CC(Cc1ccccc1)NC(C#N)c2ccccc2 A634285 [2H]c1c(c(c(c(c1[2H])[2H])C(C#N)NC(C)Cc2ccccc2)[2H])[2H] A634287 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C A634300 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C A634302 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C A634320 CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)c2c1cccc2)C)C(=O)Nc3ccccn3 A634350 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N A634400 [2H]C1(C[C@@H](C(O1)([2H])[2H])OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN(C(C)(C)C)S(=O)(=O)c3ccc(cc3)N)O)[2H] A634402 C1COCCN1CC2CN(C(=O)O2)N A634600 [2H]C1(C(OC(=O)N1N)([2H])C([2H])([2H])N2CCOCC2)[2H] A634602 c1cnccc1c2cc(c(=O)[nH]c2)N A635000 CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4ccccc4C3=O)O)[C@H](C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)N A635200 C[13C](=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)[13c]4cccc[13c]4C3=O)O)[C@H](C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)N A635202 CC([C@@]1(Cc2c(c(c3c(c2O)C(=O)c4ccccc4C3=O)O)[C@H](C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)N)O A635210 [13CH3]C([C@@]1(Cc2c(c(c3c(c2O)C(=O)[13c]4cccc[13c]4C3=O)O)[C@H](C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)N)O A635212 C[13CH]([C@@]1(Cc2c(c(c3c(c2O)C(=O)[13c]4cccc[13c]4C3=O)O)[C@H](C1)O[C@H]5C[C@H]([C@@H](CO5)O)O)N)O A635213 Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)NCC(=O)Oc3ccccc3OC A635350 CCCCCN(C)N=O A636500 c1cc(cnc1)C2=NCCCC2 A637150 [2H]c1c(c(c(nc1[2H])[2H])C2=NCCCC2)[2H] A637152 c1cc(cnc1)[C@@H]2CCCCN2 A637171 c1cc(cnc1)C2CCCCN2 A637175 [2H]c1c(c(c(nc1[2H])[2H])C2CCCCN2)[2H] A637180 C[C@H]1[C@H](OC(=O)N1Cc2cc(ccc2c3cc(c(cc3OC)F)C(C)C)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F A637200 [2H]C([2H])([2H])Oc1cc(c(cc1c2ccc(cc2CN3[C@H]([C@H](OC3=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)C)C(F)(F)F)C(C)C)F A637202 c1cc(c(c2c1N=C3NC(=O)CN3C2)Cl)Cl.Cl A637300 c1cc(c(c2c1N=[13C]3N[13C](=O)[13CH2]N3C2)Cl)Cl A637302 C(CN)C(=O)O A637320 C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=O)CC[C@]34C A637340 C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC2)C)O A637360 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H](C=CC4)O)C)C A637380 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 A637425 [2H]C([2H])([2H])C(C#N)(c1cc(cc(c1)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])Cn2cncn2)C([2H])([2H])[2H] A637427 CC(C)(C#N)c1cc(cc(c1)Cn2cncn2)CC(C)(C#N)c3cc(cc(c3)C(C)(C)C#N)Cn4cncn4 A637440 [2H]C([2H])([2H])C(Cc1cc(cc(c1)C(C)(C)C#N)Cn2cncn2)(C#N)c3cc(cc(c3)C(C)(C)C#N)Cn4cncn4 A637442 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C A637445 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=C[C@@H](C4)O)C A637446 [2H]C1=C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C([C@@]1([2H])O)([2H])[2H])CC[C@@H]4O)C)C A637448 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@]34C)O A637450 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C A637455 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C)C A637460 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=C[C@@H](C4)O)C)C A637465 CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O A637470 C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](OCC3=O)O)(C)CO)O A637475 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O A637485 c1cc(cnc1)[C@H]2CC=CCN2 A637490 c1cc(cnc1)C2CC=CCN2 A637495 c1cc(cnc1)C2CC=CCN2 A637500 [2H]c1c(c(c(nc1[2H])[2H])C2CC=CCN2)[2H] A637502 [2H]c1c(c(c(nc1[2H])[2H])C2CC=CCN2)[2H] A637505 c1cc(cnc1)C2CC=CCN2.C(C(C(=O)O)O)(C(=O)O)O A637510 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C A637515 c1cc(cnc1)C2CCNC(C2)c3cccnc3 A637520 [2H][C@]1([C@]2(CC[C@H]3C([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O A637522 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O A637526 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O A637527 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=CC(=O)C=C[C@]34C A637530 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O A637535 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O A637537 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C A637540 [2H][C@]1([C@]2(CC[C@H]3C([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O A637542 [2H][C@]1([C@]2(CC[C@H]3C([C@@H]2CC1([2H])[2H])CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O A637547 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C A637550 [2H]C([2H])([2H])[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C A637552 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C A637610 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C A637615 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)C4=CC(=O)CC[C@]34C A637620 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC(=O)C4=CC(=O)CC[C@]34C)C)O A637622 c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)C[C@H](CO3)O A637625 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O A637630 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O A637632 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A637635 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A637637 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O A637640 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CCC5=O)C)C)C(=O)OC)OC(=O)C A637645 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C A637650 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C A637655 Cc1ccc(cc1)C(=O)OC2C[C@H]3C(COC(O3)c4ccccc4)OC2 A637660 Cc1ccc(cc1)C(=O)OC2COC3COC(O[C@H]3[C@@H]2OC(=S)Oc4ccc(cc4Cl)Cl)Cc5ccccc5 A637680 c1ccc(cc1)C2OCC3[C@@H](O2)[C@@H](C(CO3)O)O A637690 Cc1ccc(cc1)C(=O)OC2COC3COC(O[C@H]3[C@@H]2O)c4ccccc4 A637700 c1ccc2c(c1)C(=O)OP(=O)(O2)Cl A637725 Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O.Cl A637740 CC[C@H]([C@](C)(/C=C(\C)/C(=O)[C@H](C)CC(C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)OC)O)O A637745 C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O A637750 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]3[C@H](O2)CO3 A637782 C1[C@@H]2[C@H](C=C[C@H](O1)O2)O A637815 C1[C@@H]2[C@@H](C=C[C@H](O1)O2)O A637825 CCC(C)(C)C(=O)O[C@H]1C[C@@H]2C[C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2 A637845 c1ccc(cc1)CO[C@@H]2[C@H](O[C@H]([C@H]2OCc3ccccc3)CO)CO A637850 c1ccc(cc1)CO[C@@H]2[C@H](O[C@H]([C@H]2OCc3ccccc3)COP(=O)(OCc4ccccc4)OCc5ccccc5)COP(=O)(OCc6ccccc6)OCc7ccccc7 A637855 c1ccc(cc1)CO[C@@H]2[C@@H](O[C@@H]([C@H]2OCc3ccccc3)COP(=O)(OCc4ccccc4)OCc5ccccc5)CO A637860 Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H](C2O)OS(=O)(=O)c4ccc(cc4)C A637865 C[C@@H]1CC[C@H]2C(=CO[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C A637875 C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2CC(=Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)C(=O)CO)N)O A638300 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)O A638800 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1C(=CC2)C(=O)O A638802 C1[C@H]([C@H](CO1)O)O A638900 CC[C@H]1C2([C@@H]([C@H](C3(O2)C(CC(O3)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)C)C)O)C A638950 C[C@H]1[C@@H]2CC[C@]3(C(=CC[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)[C@]2(CC[C@H]1O)C)C A639500 C1C2[C@@H]([C@@H](C([C@@H](O1)O2)O)O)O A641000 CN1CC[C@@]23C=CC=C[C@@H]2Oc4c3c(ccc4OC)C1 A641500 C1C([C@H]([C@@H](C(O1)CO)O)O)O A648000 C([C@H]1[C@@H](C([C@H](O1)CO)O)O)O A648005 c1ccc(cc1)COP(=O)(OCc2ccccc2)OC[C@H]3[C@@H](C([C@H](O3)COP(=O)(OCc4ccccc4)OCc5ccccc5)O)O A648015 C([C@H]1[C@@H](C([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O A648020 C([C@H]1[C@@H](C([C@H](O1)COP(=O)(O)O)O)O)O A648040 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O A648100 CC(=O)O[C@@H]1[C@H]([C@@H]2OCC([C@@H]1OC(=O)C)O2)OC(=O)C A648110 CC(=O)O[C@@H]1[C@H]([C@@H]2OCC([C@H]1OC(=O)C)O2)OC(=O)C A648200 C([C@H]1[C@@H](C([C@H](N1)CO)O)O)O A648300 C([C@@H]1[C@@H](C([C@H](N1)CO)O)O)O A648350 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C4[C@H](O4)[C@H](O3)CO A648370 CC1(O[C@@H]2[C@@H](C3OCC(C2O1)O3)O)C A648400 CC1(O[C@@H]2[C@@H](C3CO[C@@H](C2O1)O3)O)C A648420 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]3COC(O3)[C@@H]4[C@H]2OC(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C A648500 Cc1ccc(cc1)S(=O)(=O)O[C@H]2[C@@H]3C(C4COC2O4)OC(O3)(C)C A648600 CC1(OC[C@H]2C(O1)[C@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)C A648675 C1[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O A648975 C1C([C@H]([C@@H](C(O1)CO)O)O)O A648980 C([C@@H]1[C@@H](C([C@H](O1)CO)O)O)O A649000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C A649010 C([C@H]1C([C@H]([C@@H](O1)COP(=O)([O-])[O-])O)O)O.[Ba+2] A649500 C.C([C@H]1[C@@H](C([C@@H](O1)COP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] A649550 C1C2[C@H]([C@H](C([C@H](O1)O2)O)O)O A652500 C1C2[C@H]([13C@H]([13CH]([13C@H](O1)O2)O)O)O A652502 C([C@@H]1[C@H]([C@@H]([C@H](O1)C=O)O)O)O A653240 C([C@@H]1[C@H](C(C(O1)C=NO)O)O)O A653270 CC\1=CCCC(/C1=C/C=C(\C)/C=C/C=C(\C)/C=C)(C)C A654500 C1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O A655525 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]3CO[C@H](O3)[C@H]([C@H]2O)O)OC(=O)C)OC(=O)C)OC(=O)C A656000 Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O.Cl A656050 C1[C@@H]([C@H](CO1)O)O A656400 [2H]C1([C@@H]([C@H](C(O1)([2H])[2H])O)O)[2H] A656402 Cc1cn2c(nc1=O)O[C@H]3C[C@H]2O[C@@H]3CO A656500 [2H]C([2H])([2H])c1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3CO A656502 Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)O)O A658265 Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)O A658275 c1ccc(cc1)CO[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2OCc4ccccc4)OCc5ccccc5 A658750 CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC A659750 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2CN(CCc3c1[nH]c4c3cccc4)CC(=C2)CC)c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C A659752 CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O A659760 C1C([C@@H]([C@H](O1)CO)O)O A659780 c1ccc(c(c1)Nc2nc(nc(n2)Cl)Cl)Cl A659800 [2H]c1c(c(c(c(c1[2H])Nc2nc(nc(n2)Cl)Cl)Cl)[2H])[2H] A659802 CCOC(=O)C1(CCN(CC1)CCc2ccc(cc2)N)c3ccccc3 A660750 [2H]C1(CC(CC(N1CCc2ccc(cc2)N)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H] A660752 [2H]c1c(c(c(c(c1[2H])[2H])N)[2H])[2H] A662477 c1ccc(cc1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A662500 [2H]c1c(c(c(c(c1[2H])[2H])N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] A662502 c1ccc(cc1)NCC(=O)N A663300 c1ccc(cc1)CN2CCC(CC2)Nc3ccccc3 A663680 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)N)C)C)(F)F A663730 [2H]c1c(c(c(c(c1[2H])[2H])N/C=C(/C=C/C(=O)O)\C(=O)OC)[2H])[2H] A663752 c1ccc(cc1)NC(=O)CCC(=O)O A663950 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)CCC(=O)O)[2H])[2H] A663952 c1ccc(cc1)NC2=CC(=O)c3c(cccn3)C2=O A664500 COc1cc(cc(c1OC)OC)C/C(=C/Nc2ccccc2)/C#N A672500 CCCCCCCCCCCCC(CCCN(C)CCc1cccc(c1)OC)(C#N)c2cccc(c2)OC.Cl A672700 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCN(C)CCc1cccc(c1)OC)(C#N)c2cccc(c2)OC.Cl A672702 COc1ccc(cc1)C(=O)N2CCCC2=O A672800 COc1ccc(cc1)[13CH]=O A673202 CO[13c]1[13cH][13cH][13c]([13cH][13cH]1)C=O A673203 CO[13c]1[13cH][13cH][13cH][13cH][13cH]1 A673902 COc1ccc(cc1)C#N A673935 COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)C(=O)c4ccc(cc4)OC A673950 CCOCc1ccc(cc1)OC A673980 COc1ccc(cc1)c2cc/c(=N/N)/[nH]n2 A674000 COc1ccc(cc1)/C=C\2/c3ccccc3C(=O)O2 A674015 [2H]C([2H])([2H])C(c1ccc(cc1)OC)(C([2H])([2H])[2H])O A674025 COc1ccc(cc1)c2ccc(=O)[nH]n2 A674027 CC1[C@@H]([C@@H](C([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(CO)O)O)I)O)O A674050 Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN.[N+](=O)(O)[O-] A675500 c1ccc2cc3ccccc3cc2c1 A678250 c1ccc2c[13c]3[13cH][13cH][13cH][13cH][13c]3cc2c1 A678400 c1ccc2cc3cc(ccc3cc2c1)CC(=O)ON4C(=O)CCC4=O A678402 c1ccc2c(c1)cc3ccccc3c2CC(=O)ON4C(=O)CCC4=O A678420 c1ccc2c(c1)cc3ccccc3c2CCC(=O)O A678425 CCOC(=O)CCc1c2ccccc2cc3c1cccc3 A678435 Cc1ccc(cc1)C(=O)CCc2c3ccccc3cc4c2cccc4 A678440 c1ccc2c(c1)cc3ccccc3c2CCC(=O)O A678450 CC(c1ccc2cc3ccccc3cc2c1)O A678500 CS(=O)(=O)SCc1ccc2cc3ccccc3cc2c1 A678510 CS(=O)(=O)SCc1c2ccccc2cc3c1cccc3 A678515 c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)O A678700 c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2 A679200 [2H]c1c(c(c(c(c1[2H])C(=O)O)N)[2H])[2H] A679222 c1cc2c(c(c1)O)C(=O)c3cccc(c3C2=O)O A679250 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC)O)NC(=O)CC(C)(C)O A679300 CC(=C)C(=O)Oc1c2ccccc2cc3c1cccc3 A679750 C(C[C@@H](C(=O)O)N)CNC(=N)N.Cl A769500 C(C[C@@H](C(=O)O)[15NH2])C[15NH]C(=[15NH])[15NH2].Cl A769502 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N A769550 [2H]c1c(c(c(c(c1[2H])[2H])C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)[2H])[2H] A769552 c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 A771000 [2H]C1(C(N(C(C(N1CCCCOc2ccc3c(c2)NC(=O)CC3)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H] A771002 [2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])N3CCN(CC3)c4cccc(c4Cl)Cl A771003 c1cc(c(c(c1)Cl)Cl)[N+]2(CC[N+](CC2)(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-])[O-] A771010 [2H]C1(C([N+](C(C([N+]1(CCCCOc2ccc3c(c2)NC(=O)CC3)[O-])([2H])[2H])([2H])[2H])(c4cccc(c4Cl)Cl)[O-])([2H])[2H])[2H] A771012 c1cc(c(c(c1)Cl)Cl)N2CC[N+](CC2)(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-] A771015 [2H]C1(C([N+](C(C(N1c2cccc(c2Cl)Cl)([2H])[2H])([2H])[2H])(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-])([2H])[2H])[2H] A771017 c1cc(c(c(c1)Cl)Cl)[N+]2(CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4)[O-] A771020 CC(C)C1(C(=C(N(C1=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791775 CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791780 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@H](CC(=O)O4)O)C(C)C)C(=O)Nc5ccccc5)[2H])[2H] A791782 CC(C)C12C(O1)(C3(C(N2CC[C@@H]4C[C@H](CC(=O)O4)O)(O3)c5ccc(cc5)F)c6ccccc6)C(=O)Nc7ccccc7 A791785 CC(=C)C(=O)OCc1c2ccccc2cc3c1cccc3 A684980 Cc1cc(=O)n(n1C)c2ccccc2 A685000 [2H]C([2H])([2H])n1c(cc(=O)n1c2ccccc2)C A697500 c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F)Nc4ccnc5c4ccc(c5)C(F)(F)F A697502 [2H]C1(C(N(C(C(N1CCOC(=O)c2ccccc2Nc3ccnc4c3ccc(c4)C(F)(F)F)([2H])[2H])([2H])[2H])c5cccc(c5)C(F)(F)F)([2H])[2H])[2H] A697800 [2H]C(C(NC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2c3nc(nc(c3nc2)N)C#CC[C@H]4CC[C@H](CC4)C(=O)OC)([2H])[2H])([2H])[2H] A697802 [2H]C1(C(OC(C(N1C(=O)CCc2cc3c(s2)-n4c(nnc4CN=C3c5ccccc5Cl)C)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A710502 c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CCCC4)C#N.Cl A726100 c1cc(c(nc1)NCc2cc[n+](cc2)[O-])C(=O)Nc3ccc(cc3)C4(CCCC4)C#N.Cl A726102 CC[C@@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(=O)CC A726150 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O A726160 [2H]c1cc(cc(c1O)[2H])c2c(c(=O)c3c(c(c(c(c3o2)[2H])O)[2H])O)[2H] A726300 Cc1cccc(c1)/C=N/Nc2cc(nc(n2)OCCc3ccccn3)N4CCOCC4 A726500 [2H]C([2H])([2H])c1cccc(c1)/C=N/Nc2cc(nc(n2)OCCc3ccccn3)N4CCOCC4 A726502 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OC)O.Cl A727100 [2H]C([2H])([2H])N1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OC)O.Cl A727102 CC(=O)c1ccc(c(c1)OC)O A727200 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O.Cl A727500 [2H]C([2H])([2H])N1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O.Cl A727502 [2H]c1c(c2c3c(c1[2H])-c4c(c(c(c(c4O)O)[2H])[2H])C[C@H]3N(CC2)C)[2H].Cl A727503 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O A727510 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OS(=O)(=O)[O-])O.[K+] A727515 CN1C2C3OC3C1C[C@@H](C2)OC(=O)C(=C)c4ccccc4 A729000 CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)c4ccccc4.Cl A729005 Cc1c2cccc(c2c(c3c1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O A729035 Cc1c2cccc(c2c(c3c1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O A729036 CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)O)CC3 A729250 [2H]c1c(c(c2c(c1[2H])c3c4n2C(=C[C@@]5([C@@H]4N(CCC5)CC3)CC)C(=O)O)[2H])[2H] A729252 c1c(cc(c(c1Cl)N=C2NCCN2)Cl)N.Cl A729400 CNC1[C@H](O[C@@H]2CC([C@H](OC2C1O)OC3[C@@H]([C@@H](C(CC3N)N)O)O)N)O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O A729600 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729785 C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729790 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729800 [2H]CC([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)[13CH2][13c]3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729802 C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O.C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729810 CC(C)C1(C(=O)NC(=O)NC1=O)CC=C A735400 [2H]C([2H])([2H])C([2H])(C1(C(=O)NC(=O)NC1=O)CC=C)C([2H])([2H])[2H] A735402 c1cc(c(c(c1)Cl)Cn2cnc3c2ncnc3N)F A735500 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F A763800 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)O A764000 c1c[15n]([13c](=O)[15nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)O A764002 c1cn(c(=O)[nH]c1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O A764010 c1c[15n]([13c](=O)[15nH]c1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O A764012 c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)OC(=O)c4ccccc4)OC(=O)c5ccccc5 A764017 C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O A764175 C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O A764180 c1ccc(cc1)N/N=C/[C@H]([C@@H]([C@@H](CO)O)O)O A764200 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765000 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765001 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765002 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl A765020 [2H]C([2H])(C([2H])([2H])Cl)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC A765022 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 A765030 [2H]C1(C(C1([2H])[2H])NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[2H] A765032 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO A765050 [2H]C([2H])(C([2H])(C([2H])([2H])O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O A765052 COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] A765500 [2H]C([2H])([2H])Oc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] A765502 CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3.Cl A766000 CN1CCC=C(C1)C(=O)O A766500 [2H]C1CC=C(C(N1C([2H])([2H])[2H])[2H])C(=O)O A767002 CCOC(=O)C1=CCCN(C1)C.Cl A767010 CN1CCC=C(C1)C(=O)OC.Br A767500 [2H]C1CC=C(C(N1C([2H])([2H])[2H])[2H])C(=O)OC.Br A767502 C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C A768990 C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C A768995 C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C A769000 C[C@H]1CCN([C@@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C A769010 [2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])N3CC[N+](CC3)(c4cccc(c4Cl)Cl)[O-] A771022 c1cc2c(cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])c(c1)O A771295 COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771300 c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771305 c1cc(cc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O A771310 COc1cc(cc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O A771315 COc1ccc2c(c1O)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771320 C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O A771726 [2H]c1c(c(c(c(c1C(F)(F)F)[2H])[2H])NC(=O)/C(=C(/C)\O)/C#N)[2H] A771727 Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)c6ccc(o6)CNCCS(=O)(=O)C A774000 [2H]C([2H])([2H])S(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)C)Oc5ccn6c(c5)ncn6 A774002 c1ccc(c(c1)N)[As](=O)(O)O A774100 c1cc(ccc1N)[As](=O)(O)O A774110 CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)OC(CC3)(OO4)C)C)C A774295 CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)OC(CC3)(OO4)C)C)C A774300 C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C A777400 [2H]C([2H])([2H])O[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777402 C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C A777410 [2H]C([2H])([2H])O[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777412 C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]([C@@]23[C@H]1CCO3)OC(=O)C)OC)C A777415 C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C A777500 [2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@@](CC3)(OO4)C)C A777502 C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C A777505 C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C A777550 C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C A777800 [2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@H]1OC(=O)CCC(=O)O)O[C@@](CC3)(OO4)C)C A777802 [2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)O[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777803 C[As+](C)(C)CC(=O)O.[Br-] A778500 [2H]C([2H])([2H])[As+](C)(C)CC(=O)O.[Br-] A778502 CCCCCC[C@@H](CCC)C(=O)O A779500 [2H]C([2H])([2H])CC[C@H](CCCCCC)C(=O)O A779502 CCCCCC[C@@H](CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O A779505 CCCCCC[C@H](CCC)C(=O)O A779510 [2H]C([2H])([2H])CC[C@@H](CCCCCC)C(=O)O A779512 c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O A780100 [2H]C([2H])(C([2H])(C([2H])([2H])O)O)NC(=O)c1ccncc1Nc2ccc(cc2F)I A780102 CC[C@H]1/C=C(\C[C@@H](C[C@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@H]4CC[C@@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)/C A781000 C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O A786990 [13CH2]([13CH]([13C@@H]1[13C](=[13C]([13C](=O)O1)O)O)O)O A786992 CC1(OC[C@H](O1)[C@@H]2C(=C(C(=O)O2)O)O)C A787000 CN1C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl A788000 [2H][13C]([2H])([2H])N1C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl A788002 C[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O A788005 [2H][13C]([2H])([2H])[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O A788007 C[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[O-] A788010 CN1CCc2ccc(cc2-c3c(ccc(c3O)OC)CC1CCc4ccccc4)OC A788500 [2H]c1c(c(c(c(c1[2H])[2H])CCC2Cc3ccc(c(c3-c4cc(ccc4CCN2C)OC)O)OC)[2H])[2H] A788502 COC(=O)NS(=O)(=O)c1ccc(cc1)N A788750 c1cc[n+](c(c1)/C=N\O)COC[n+]2ccc(cc2)C(=O)N A790000 [2H]c1c([n+](c(c(c1C(=O)N)[2H])[2H])COC[n+]2ccccc2/C=N/O)[2H] A790002 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N A790015 [2H]C([2H])([2H])OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N A790017 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)O)N)[2H])[2H] A790018 C([C@H](C(=O)O)N)C(=O)O A790020 C([C@@H](C(=O)[O-])N)C(=O)[O-].Cl.[Ca+2] A790021 [2H][C@@](C(=O)O)(C([2H])([2H])C(=O)O)N A790023 CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C A790025 COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F A790030 [2H]C([2H])([2H])Oc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F A790032 CCN\1c2ccccc2C(/C1=C\C=C\C3=[N+](c4ccccc4C3(C)C)CC)(C)C.[I-] A790035 CC(C)(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)[O] A790050 CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC A790051 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)[2H])[2H] A790052 CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC A790055 CC(C)NCC(COc1ccc(cc1)CC(=O)N)O A790075 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)CC(=O)N)O A790077 CC(C)NC[C@H](COc1ccc(cc1)CC(=O)N)O A790080 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COc1ccc(cc1)CC(=O)N)O A790082 CC(C)NC[C@@H](COc1ccc(cc1)CC(=O)N)O A790085 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1)CC(=O)N)O A790087 Cc1ccccc1OC(CCNC)c2ccccc2.Cl A791390 Cc1ccccc1O[C@H](CCNC)c2ccccc2.Cl A791400 [2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccccc2C.Cl A791402 [2H]C([2H])([2H])NCC[C@@H](c1ccccc1)Oc2ccccc2C.Cl A791404 Cc1ccccc1O[C@@H](CCNC)c2ccccc2.Cl A791405 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791690 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6 A791700 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)NCC[C@H](C[C@H](CC(=O)[O-])O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791705 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OCC=C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791710 CC(C)c1c(c(c(n1CC[C@@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791725 CC(C)c1c(c(c(n1CC[C@@H](C[C@@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791735 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791740 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791745 C.CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791750 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccccc4)[2H])[2H].[Na+] A791752 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791760 CC(C)C12C(O1)(C3(C(N2CC[C@H](C[C@H](CC(=O)[O-])O)O)(O3)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6 A791765 CC(C)c1c(c(c(n1CC[C@H]2C[C@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791770 CC(C)c1c(c(c(n1CC[C@H](C[C@@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791795 CC(C)C1(C(=C(N(C1=O)CC[C@H](C[C@H](CC(=O)OCC=C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791800 CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791805 CCOC(=O)C[C@@H](C[C@@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(cc4)F)O)O A791810 CC(C)C1(c2c3ccccc3c4cc(ccc4c2N(C1=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)F)C(=O)Nc5ccccc5 A791815 CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)[O-])O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6)O.[Na+] A791820 CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)[O-])O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6.[Na+] A791825 CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)OCC=C)O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6)O A791830 CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)OCC=C)O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6 A791835 CC(C)c1c(c(c(n1CC[C@H](C[C@@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791840 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791845 CC(C)CC1(C(O1)(c2ccccc2)C(=O)c3ccc(cc3)F)C(=O)Nc4ccccc4 A791850 CC(C)C(=O)C1(C(O1)(c2ccccc2)C(=O)c3ccc(cc3)F)C(=O)Nc4ccccc4 A791855 CC(C)C1(C2(C(O2)(C(O1)(c3ccc(cc3)F)O)c4ccccc4)C(=O)Nc5ccccc5)O A791860 [2H][C@]1(C(C[C@@H](CC1([2H])[2H])c2ccc(cc2)Cl)([2H])[2H])C3=C(C(=O)c4c(cccc4)C3=O)O A793452 c1cc2c(cc1)C(=O)C(=C(C2=O)C3CC[C@@H](CC3)c4ccc(cc4)Cl)O A793500 [2H][C@]1(C(C[C@H](CC1([2H])[2H])c2ccc(cc2)Cl)([2H])[2H])C3=C(C(=O)c4c(cccc4)C3=O)O A793502 C=C(c1ccccc1)C(=O)O A793850 C[N+]1(CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5C4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(=O)[O-] A794500 CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] A794530 c1cc(c(cc1/C=C\2/C(=O)c3c(cc(cc3O2)O)O)O)O A794550 CCNc1nc(nc(n1)Cl)NC(C)C A794600 [2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC(C)C A794602 CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc([nH]n3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O A808100 C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5ccc(c(c5)CO)OC A808130 CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C A794610 CCNc1nc(nc(n1)SC[C@H](C(=O)O)NC(=O)C)NC(C)C.Cl A794615 C.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OS(=O)(=O)O A794625 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)O[C@H]2CC3N(C(C2)CC3)C)CO)[2H])[2H] A794627 Cc1cc2c(c(c1O)OC)C(=O)c3c(cc(c(c3O)OC)O)C2=O A794640 CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 A794650 [2H]C([2H])([2H])NC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 A794652 COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4 A794670 COc1ccc(cc1Cl)CNc2c(cnc(n2)[15N]3[13CH2][13CH2][13CH2][13CH]3[13CH2]O)C(=O)NCc4ncccn4 A794672 CC(c1ccc(cc1C(=O)c2ccccc2)Cl)C(=O)CNC(=O)[C@H](CCCCN)N A794685 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2C(C)C(=O)CNC(=O)[C@H](CCCCN)N)Cl)[2H])[2H] A794687 CC(C)(C)c1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)OC A794690 CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO A794695 c1cc(c(cc1)Cl)CNC[C@H]2CC[C@@H](CC2)CNCc3c(cccc3)Cl A794700 Cc1ccc(nc1)S(=O)(=O)Nc2c(c(nc(n2)c3ccncc3)OC)Oc4ccccc4OC A794710 [2H]C([2H])([2H])Oc1c(c(nc(n1)c2ccncc2)NS(=O)(=O)c3ccc(cn3)C)Oc4ccccc4OC A794712 CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+] A794750 C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+] A794850 [2H]C1([C@H]2CN([C@@H](C1([2H])[2H])C(=O)N)C(=O)N2OS(=O)(=O)[O-])[2H].[Na+] A794852 C[C@@H]1CC[C@H]2[C@H](C(=O)N[C@H]3C24[C@H]1CCC(O3)(OO4)C)C A794900 C1[C@@H]2C=C[C@H]1NC2=O A795200 C1[C@@H]2C=C[C@@H]1NC2=O A795205 CC(C)(C)OC(=O)N[C@H]1[C@H]2[C@@H]1CNC2 A795230 C1C[C@@H]2C[C@@H](N[C@@H]2C1)C(=O)O A795260 c1ccc(cc1)COC(=O)[C@H]2C[C@H]3CCC[C@H]3N2 A795270 c1ccc(cc1)COC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2.Cl A795273 c1ccc(cc1)COC(=O)[C@@H]2C[C@H]3CCC[C@H]3N2 A795275 c1ccc(cc1)COC(=O)[C@H]2C[C@H]3CCC[C@H]3N2.Cl A795280 c1ccc(cc1)COC(=O)[C@@H]2C[C@H]3CCC[C@H]3N2.c1ccc(cc1)S(=O)(=O)[O-] A795285 c1ccc2c(c1)CCC[C@@H]2C(=O)N[C@@H]3CN4CCC3CC4 A795300 [2H][C@]1(CN2CCC1CC2)NC(=O)[C@H]3CCCc4c3cccc4 A795302 C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)CO[Si](C)(C)C(C)(C)C)O A795450 C[C@@H]1[C@@H]([C@@]2([C@@H](OCN2C1=O)C(C)C)C(=O)O)O A795575 c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N A796000 c1[15n]c([15n]c(=O)[15n]1[C@H]2C([C@H]([C@H](O2)CO)O)O)[15NH2] A796002 c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)N A796015 c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)O)N A796020 c1[15n]c([15n]c(=O)[15n]1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)O)[15NH2] A796022 c1[nH]c(=O)nc(n1)N A796375 c1[15nH]c(=O)[15n]c([15n]1)[15NH2] A796377 c1cn2c([nH]1)nc(nc2=O)N A796900 c1nc(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N A796950 c1[15n]c([15n]c(=O)[15n]1[C@H]2C[C@H]([C@H](O2)CO)O)[15NH2] A796952 c1nc(nc(=O)n1[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)N A796960 c1[15n]c([15n]c(=O)[15n]1[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)[15NH2] A796962 C1[C@H]([C@H](O[C@H]1n2c(=O)[nH]c(nc2=O)N)CO)O A797050 CC(Cc1cccnc1)N(C)CC#C A797200 C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@]5(O6)C)[C@@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C A797300 CN(C)Cc1c[nH]c2c1cccn2 A797500 CC[C@@H]1[C@@]([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O A797800 C[C@@H]1[C@@H]([C@@]2([C@@H](OCN2C1=O)C(C)C)C=O)O A798200 C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)CO)O A798800 c1cn(cn1)C(=O)/C=C/NCC(=O)CCO A798900 [2H]c1c(n(c(n1)[2H])C(=O)/C=C/NCC(=O)CCO)[2H] A798902 c1cc-2cnnc2[nH]c1 A800260 c1cc2cc[nH]c2nc1 A800275 c1cc2c(c[nH]c2nc1)C(C(=O)O)N A800500 COC(=O)C(c1c[nH]c2c1cccn2)N.Cl A800520 c1cc2c(nc1)-c3c(c4cc(ccc4[nH]3)Br)CC(=O)N2 A800950 COP(=O)(OC)SCn1c2c(cc(cn2)Cl)oc1=O A801300 [2H]C([2H])([2H])OP(=O)(OC([2H])([2H])[2H])SCn1c2c(cc(cn2)Cl)oc1=O A801302 CCC1(CC(C2(C(CCC3(C2C(=O)CC3)C(C1O)C)C)C)OC(=O)CSc4[nH]c(nn4)N)C A801530 c1cc2c(nc1)NC(=O)C2 A801725 C(CNC(=O)/C=C\C(=O)O)C(=O)O A801825 c1ccc(cc1)[C@H]2COC(=O)[C@@H]3N2[C@@H]4CCC[C@@H]4C3 A802050 c1ccnc(c1)N2CCN(CC2)CCCC(=O)c3ccc(cc3)F A802200 CN1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl.Cl A802800 [2H]C(N1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl)([2H])[2H].Cl A802802 [2H][13C](N1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl)([2H])[2H].Cl A802803 CN1CCC(=C2c3ccccc3CCc4c2nccc4)CC1 A802950 Cn1cnc(c1Sc2c3c(nc[nH]3)ncn2)[N+](=O)[O-] A803350 [13CH3]n1[13cH]n[13c]([13c]1Sc2c3c(nc[nH]3)ncn2)[N+](=O)[O-] A803352 c1cc2c(c[nH]c2nc1)CC(C(=O)O)N.O A803575 CCOC(=O)CCCCCCCC(=O)O A808150 CN1CCC[C@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808245 CN1CCC[C@@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808246 CN1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808250 [2H][13C]([2H])([2H])N1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl A808252 C[N+]1(CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808260 c1ccc(cc1)C(c2ccccc2)N3CCC3 B194850 c1ccc(cc1)C(c2ccccc2)N3CC(=O)C3 B194860 c1ccc(cc1)C(c2ccccc2)N3CCC3C(=O)O B194870 c1ccc(cc1)C(c2ccccc2)N3CC(C3)C(=O)O B194875 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@H](C6)OC(=O)c7ccccc7)C)C)C)OC1 B208120 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O B208125 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O B208127 CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 B208130 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC(C)C B208132 Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)C=O B208135 CCOC(=O)C[C@]1(C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3)C B208140 CCOC(=O)C[C@@]1(C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3)C B208145 c1ccc(cc1)C(=O)n2ccnc2 B208150 c1ccc(cc1)C(=O)c2cccc3c2NC(=O)C3 B208155 c1ccc(cc1)C(=O)N[C@H]2CCC[C@H](C2)OC(=O)c3ccccc3 B208165 CN1[C@@H](C[C@H](C1=O)OC(=O)c2ccccc2)c3ccc[n+](c3)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)O)O)O.[Cl-] B208170 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)[n+]2cccc(c2)[C@@H]3C[C@H](C(=O)N3C)OC(=O)c4ccccc4)C(=O)OC)OC(=O)C.[Br-] B208175 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)c2ccccc2)O B208180 CCOC(=O)[C@@H]([C@H](c1ccc(cc1)S(=O)(=O)C)O)NC(=O)c2ccccc2 B208190 c1ccc(cc1)C(=O)N=C=S B208195 [2H]C([2H])([2H])C(C(=O)NCC(=O)OCC)SC(=O)c1ccccc1 B208202 C[C@H](CCCC(C)COC(c1ccccc1)(c2ccccc2)c3ccccc3)[C@H]4C(C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@H](C7)OC(=O)c8ccccc8)C)C)OS(=O)(=O)C B208205 COc1ccc2cc(c(=O)oc2c1)C(=O)c3ccccc3 B208210 Cc1ccc(cc1)Sc2ccc(cc2)C(=O)c3ccccc3 B208215 C[C@H]1C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3 B208220 C[C@@H]1C(=O)O[C@H](N1C(=O)c2ccccc2)c3ccccc3 B208225 [2H][13C]([2H])([2H])[N+]1(CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808262 C[N+]1(CCC[C@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808265 C[N+]1(CCC[C@@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808270 CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC(C)C A808500 C1CC(=O)CCNC1.Cl A809755 C1CN[C@H]1C(=O)O A812480 C1CNC1C(=O)O A812490 C1CN[C@H]1C(=O)O A812500 C1C(CN1)C(=O)O A812520 CC(C)(C)OC(=O)[C@@H]1CCN1 A812560 C1CNC1.Cl A813000 C1C(CN1)O.Cl A813200 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])COC(=O)C)OC(=O)C)OC(=O)C A817500 CC(=O)c1ccc(cc1)N=[N+]=[N-] A821250 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-])N A821960 c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N A821980 c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[NH4+].[NH4+].[NH4+].[NH4+] A822000 [13cH]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)N=[N+]=[N-] A822052 c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CN=[N+]=[N-])[N+](=O)[O-] A822100 CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]2[C@H]1COC(O2)c3ccccc3)O)N=[N+]=[N-] A822240 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A822400 C(CCO)CN=[N+]=[N-] A822530 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A822550 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A822575 CC1(O[C@@H]2[C@H](O1)C(=O)O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C A822620 c1ccc(cc1)OC(=O)OC(CN=[N+]=[N-])CCl A822800 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)N=[N+]=[N-])Cl)[2H])[2H] A822832 C(C(CCl)O)N=[N+]=[N-] A822850 c1c(c(c(=O)[nH]n1)Cl)N=[N+]=[N-] A822950 C(CCCCCO)CCCCN=[N+]=[N-] A823075 C([C@H]([C@H]1[C@@H]([C@H](C(O1)O)O)O)N=[N+]=[N-])O A823150 CC(=O)O[C@@H]1[C@@H](CO[C@@]2([C@H]1OC(=O)C)COC(O2)(C)C)N=[N+]=[N-] A823345 CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)N=[N+]=[N-])C A824000 C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)N=[N+]=[N-] A824200 [C@@H]1([C@H]([C@H](OC([C@@H]1N=[N+]=[N-])O)C(=O)O)O)O A824300 CC(=O)O[C@H]1[C@H]([C@H](OC([C@@H]1N=[N+]=[N-])OC(=O)C)C(=O)OC)OC(=O)C A824310 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)N=[N+]=[N-])C(=O)OC)OC(=O)C A824315 CC1(O[C@H]2[C@@H](C(O[C@@H]2O1)(CO)CO)N=[N+]=[N-])C A824400 CC1(OC[C@]2(O1)[C@H]([C@@H]([C@@H](CO2)N=[N+]=[N-])O)O)C A824525 CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CN=[N+]=[N-])O)O)C A824575 CC1(O[C@H]2[C@@H]([C@@H](O[C@]2(O1)CO)CN=[N+]=[N-])O)C A824700 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C A824850 CC(C)(C)C(=O)OC[C@H]([C@H]1[C@@H]([C@H](C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=[N+]=[N-] A824950 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] A825000 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] A825002 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=[N+]=[N-].[Na+] A825050 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=[N+]=[N-].[Na+] A825052 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)[O-])N=[N+]=[N-].[Na+] A825070 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] A825090 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] A825095 CC(Cc1ccc(cc1)N=[N+]=[N-])N(C)CC#C A827250 [2H]C([2H])([2H])N(CC#C)C(C)Cc1ccc(cc1)N=[N+]=[N-] A827252 C([C@H]([C@@H](CCl)O)N=[N+]=[N-])Cl A844100 [2H][C@]1(CC([C@](c2c1cccc2)([2H])N=[N+]=[N-])([2H])[2H])c3ccc(c(c3)Cl)Cl A844502 CCC(CC)OC1[C@@H]([C@H](CC(C1N=[N+]=[N-])C(=O)OCC)N)NC(=O)C A844600 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N=[N+]=[N-])C([2H])([2H])[2H] A844887 Cc1cc2c(cccn2)c3c1n(c(n3)N=[N+]=[N-])C A845000 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])cccn3)C A845002 Cc1cnc2ccc3c(c2n1)nc(n3C)N=[N+]=[N-] A847500 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])OC(=O)C(C)(C)C A847625 CS(=O)(=O)SCCCCCCCCCCCCN=[N+]=[N-] A848125 C(COCCOCCO)N=[N+]=[N-] A848550 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN=[N+]=[N-] A848950 [2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N=[N+]=[N-] A848952 C1COC(O1)CCN=[N+]=[N-] A848965 CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1N=[N+]=[N-])OS(=O)(=O)C)C(=O)OCC.CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1OS(=O)(=O)C)N=[N+]=[N-])C(=O)OCC A848985 Cc1c(c(n(n1)C)NC(=O)CN=[N+]=[N-])C(=O)c2ccccc2F A849020 C(COCCOCCOCCOCCOCCO)N=[N+]=[N-] A850020 C[C@@](CO)(C(=O)O)N=[N+]=[N-] A850090 C[C@](CN=[N+]=[N-])(C(=O)OC)O A850110 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2I)N=[N+]=[N-] A850250 CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N=[N+]=[N-] A850325 [2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N=[N+]=[N-] A850327 Cn1c2ccc3c(c2nc1N=[N+]=[N-])cccn3 A852500 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(CN=[N+]=[N-])COc2cccc3c2cccc3)C(=O)OC)OC(=O)C A853000 Cn1c2cc(cnc2nc1N=[N+]=[N-])c3ccccc3 A854500 CS(=O)(=O)OCCCCN=[N+]=[N-] A854520 CS(=O)CCCCN=[N+]=[N-] A854530 CC(C)[C@H](C(=O)O)N=[N+]=[N-].C1CCC(CC1)N A854700 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)[O-].[Na+] A856000 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN=[N+]=[N-])O A856295 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN=[N+]=[N-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O A856300 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CN=[N+]=[N-])COc2cccc3c2c4ccccc4[nH]3)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 A856305 CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N=[N+]=[N-] A856350 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N=[N+]=[N-])O)O A856500 c1cc(c(cc1N=[N+]=[N-])O)C(=O)O A857925 c1cc(c(cc1N=[N+]=[N-])O)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O A858000 c1cc(c(cc1N=[N+]=[N-])O)C(=O)NCCSSCCC(=O)O A858950 c1ccnc(c1)SSCCNC(=O)c2ccc(cc2O)N=[N+]=[N-] A859000 c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)N A860750 c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)N A861925 CS(=O)(=O)SC[C@@H](C(=O)O)NC(=O)c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F A862000 c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)O A862010 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)O)NC(=O)CCCCCNC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F)NC(=O)N2 A862160 CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)CCCCCNC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F A862185 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)CCCCCNC(=O)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)NC(=O)N2.[Na+] A862210 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)O)NC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F)NC(=O)N2 A862240 CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F A862275 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)NC(=O)N2.[Na+] A862325 Cc1cc2c(c3c1n(c(n3)N=[N+]=[N-])C)nc(c(n2)C)C A862500 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])nc(c(n3)C)C)C A862502 CC1(CC(CC(N1O)(C)C)N=[N+]=[N-])C A862600 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A866500 [2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])nc(cn3)C)C A867502 Cc1c(nc2c(n1)ccc3c2nc(n3C)N=[N+]=[N-])C A869500 [2H]C([2H])([2H])n1c2ccc3c(c2nc1N=[N+]=[N-])nc(c(n3)C)C A869502 CC1(O[C@H]2[C@H](OC([C@H]2O1)(C)O)CN=[N+]=[N-])C A884560 CC1(O[C@H]2[C@H](OC(=O)[C@H]2O1)CN=[N+]=[N-])C A884575 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OC)OC(=O)C)N=[N+]=[N-] A884600 C(COCCOCCOCCO)N=[N+]=[N-] A885250 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A919935 CCC(CC)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC A919960 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(=CC1OC(CC)CC)C(=O)OCC)N=[N+]=[N-] A919962 c1cc(ccc1C(=O)CBr)N=[N+]=[N-] A920000 c1cc(ccc1[14C](=O)CBr)N=[N+]=[N-] A920200 c1ccc(cc1)COC[C@@H]2[C@H](C[C@@H]([C@@H]2O)N=[N+]=[N-])OCc3ccccc3 A922750 c1ccc(cc1)[P+](CCCN=[N+]=[N-])(c2ccccc2)c3ccccc3.[Br-] A922790 Cc1ccccc1O[C@H](CCN=[N+]=[N-])c2ccccc2 A923000 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H](CCN=[N+]=[N-])c2ccccc2)[2H])[2H] A923002 c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)N=[N+]=[N-] A925000 CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COP(=O)([O-])OCC[N+](C)(C)C)N=[N+]=[N-])O A925050 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O A925080 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O A926500 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-] A926800 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)O A926900 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)O A926902 [2H]c1c(c(c(c(c1Cn2c3c(cccc3nc2OCC)C(=O)O)[2H])[2H])c4ccccc4c5[nH]c(=O)on5)[2H] A926903 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)OC A926907 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O A927000 [2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C A927002 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)O)C)C)C)O)(C)O A927015 c1cc(ccc1C(=O)NC(CO[C@@H]2[C@H](OC([C@H]([C@H]2O)O)O)CO)CO[C@@H]3[C@H](OC([C@H]([C@H]3O)O)O)CO)C4(N=N4)C(F)(F)F A927500 c1cc(ccc1C(=O)NC(CO[C@@H]2[C@@H]3CO[C@@H](O3)[C@H]([C@H]2O)O)CO[C@@H]4[C@H]5COC(O5)[C@H]([C@H]4O)O)C6(N=N6)C(F)(F)F A927505 c1ccc(cc1)/N=N/c2ccccc2 A931000 CC(CCC(=O)O)(C#N)/N=N/C(C)(CCC(=O)O)C#N A932500 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)N=N4)O)C A935000 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)N=N4)O)C.[Na+] A945000 c1ccc(c(c1)/C=N/c2cc(cc3c2c(cc(c3)S(=O)(=O)O)O)S(=O)(=O)O)O A965000 c1cnc([nH]1)[N+](=O)[O-] A965100 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)/N=[N+](/c3ccc(cc3)S(=O)(=O)Nc4cc(on4)C)\[O-] A965130 CO/C=C(\c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)/C(=O)OC A965150 [2H]c1c(c(c(c(c1[2H])C#N)Oc2cc(ncn2)Oc3ccccc3/C(=C\OC)/C(=O)OC)[2H])[2H] A965152 C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N A965200 CC(C(C(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)N)/c1csc(n1)N)NS(=O)(=O)O A965210 c1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br.[NaH] A965300 c1cc(ccc1c2cnc(o2)/C=N/N3[13CH2][13C](=O)N[13C]3=O)Br.[NaH] A965302 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)OC(=O)C B101000 CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)C)OC(=O)C B101010 CC1=C2[C@@H]([C@@H]([C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C B101030 CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106500 CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106502 CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)c2cnc(s2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106530 c1cc(ccc1[C@@H](CC(=O)O)CN)Cl B107990 c1cc(ccc1[C@H](CC(=O)O)CN)Cl B107995 c1cc(ccc1C(CC(=O)O)CN)Cl B108000 [2H]c1c(c(c(c(c1C(CC(=O)O)CN)[2H])[2H])Cl)[2H] B108002 Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CC[C@H](C5)N(C)C B109050 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O.O B115250 c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O B115500 CNC1CCCN(C1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F B116000 c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2ccc(c(c2)C(=O)O)O B116300 [2H]c1c(c(c(c(c1/N=N/c2ccc(cc2)C(=O)NCCC(=O)O)[2H])C(=O)O)O)[2H] B116302 c1cc(c(c(c1)/N=N/c2ccc(cc2)C(=O)NCCC(=O)O)O)C(=O)O B116310 CC(C)OC(=O)CCNC(=O)c1ccc(cc1)/N=N/c2ccc(c(c2)C(=O)O)O B116315 CC(C)(C)NCC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl B117500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl B117502 CC(C)(C)NCC(c1cc(cc(c1)OC(=O)N(C)C)O)O.Cl B117515 CCCCNCC(c1ccc(cc1)O)O.OS(=O)(=O)O B117900 CCC1(C(=O)NC(=O)NC1=O)CC B118500 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC B118502 C1C(=O)NC(=O)NC1=O B118650 C1C(=O)[15NH][13C](=O)[15NH]C1=O B118652 [13C](=O)([O-])[O-].[Ba+2] B118672 CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B118700 [2H]C1(C[C@@H](C(N1Cc2ccccc2)([2H])[2H])OC(=O)C3=C(NC(=C([C@@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C)[2H].Cl B118702 Cc1c2c(=O)nc([nH]n2c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)Cc4ccc(c(c4)OC)OC B119000 CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)Cc2ccccc2)C)C(C)C)Cc3ccccc3)C)C(C)C)Cc4ccccc4)C B119230 c1ccc(cc1)CNC(=O)CCCl B119400 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCCl.[Cl-] B119500 CCN(CC)CCOC(=O)C(c1ccccc1)(c2ccccc2)O.Cl B119600 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O.Cl B119750 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119752 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119755 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] B119756 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)OC(C)(C)C)[2H])[2H] B119757 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)OC(C)(C)C)[2H])[2H] B119758 c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O B119760 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119762 c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O.C(=O)(C(F)(F)F)O B119765 c1ccc(cc1)CC[C@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O.C(=O)(C(F)(F)F)O B119766 c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119770 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] B119772 c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119775 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)OCC=C)O)O)O B119780 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H]2CCc3ccccc3N(C2=O)CC(=O)O B119785 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)N[C@@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119787 c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O[C@H]5C(C([C@@H](C(O5)C(=O)OCc6ccccc6)O)O)O B119790 c1ccc(cc1)CC[C@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O[C@H]5C(C([C@@H](C(O5)C(=O)OCc6ccccc6)O)O)O B119795 CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCc4ccccc4 B119800 CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@H](CCc3ccccc3)C(=O)OCc4ccccc4 B119805 CCOC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCC.Cl B119810 CC1(Oc2cccc(c2O1)OC(=O)NC)C B119900 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] B120100 c1cc(c(c(c1CNNC(=O)C(CO)N)O)O)O.Cl B120500 [2H]C([2H])(C([2H])(C(=O)NNCc1ccc(c(c1O)O)O)N)O.Cl B120502 CC(C)N1C(=O)c2ccccc2NS1(=O)=O B120580 CC(C)N1C(=O)[13c]2[13cH][13cH][13cH][13cH][13c]2NS1(=O)=O B120582 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)/C=C/S(=O)(=O)c4ccccc4 B120725 c1cc(ccc1c2ccc(cc2)N)N B121000 COC(=O)N1[C@H](Cc2c3ccccc3[nH]c2[C@@H]1c4ccc5c(c4)OCO5)C(=O)CCl B121700 c1ccc2c(c1)ccc3c2c4ccccc4cc3 B121900 [2H]c1cc2ccc3ccccc3c2c4c1c(c(c(c4[2H])[2H])[2H])[2H] B121902 CC(Cc1ccc(cc1)OC)(C(=O)O)NC(=O)c2ccccc2 B122000 C[C@@](Cc1ccc(cc1)OC)(C(=O)OC)NC(=O)c2ccccc2 B122100 C[C@@](Cc1ccc(cc1)OC)(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC3CCCCC3)NC(=O)c4ccccc4 B122200 c1ccc(cc1)C(=O)c2ccc[nH]2 B122800 CCOC(=O)C(c1ccc([nH]1)C(=O)c2ccccc2)(C(=O)OCC)C(=O)OCC B122820 c1ccc(c(c1)OCCN)OCCN B123480 c1ccc(c(c1)N(CC(=O)O)CC(=O)O)OCCOc2ccccc2N(CC(=O)O)CC(=O)O B123500 c1ccc(c(c1)N(CC(=O)[O-])CC(=O)[O-])OCCOc2ccccc2N(CC(=O)[O-])CC(=O)[O-].[Cs+].[Cs+].[Cs+].[Cs+] B123505 c1ccc(c(c1)N(CC(=O)[O-])CC(=O)[O-])OCCOc2ccccc2N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] B123510 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccccc1OCCOc2ccccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C B123700 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)[O-])CC(=O)[O-])CCCN)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] B124500 c1ccc(cc1)CNCCOc2ccccc2OCCNCc3ccccc3 B124670 CC(C)(C)OC(=O)N(CCOc1ccccc1OCCN(Cc2ccccc2)C(=O)OC(C)(C)C)Cc3ccccc3 B124675 CC(C)(C)OC(=O)NCCOc1ccccc1OCCNC(=O)OC(C)(C)C B124680 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)C=O)N(CC(=O)OC)CC(=O)OC B127500 COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc2ccccc2N(CC(=O)OC)CC(=O)OC B127520 [C@@H]1([C@H](O1)C(=O)[O-])C(=O)[O-].[Ba+2] B129125 Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O.CC(=O)O B129250 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)Cn2c3ccc(cc3c(c2c4ccc(cc4)O)C)O)N5CCCCCC5.CC(=O)O B129252 Cc1c2cc(ccc2n(c1c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccc(cc5)OCCN6CCCCCC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O B129265 Cc1c2cc(ccc2n(c1c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccc(cc5)OCCN6CCCCCC6)O B129270 Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O B129275 Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCC[N+]5(CCCCCC5)[O-])O B129280 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)Cn2c3ccc(cc3c(c2c4ccc(cc4)O)C)O)[N+]5(CCCCCC5)[O-] B129282 CN(CCc1ccc(c(c1)Cl)Cl)CCN2CCCC2 B129450 [2H]C([2H])([2H])N(CCN1CCCC1)C([2H])([2H])Cc2ccc(c(c2)Cl)Cl B129452 CN1CCN(CC1)CCc2ccc(c(c2)Cl)Cl B129470 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCc2ccc(c(c2)Cl)Cl)([2H])[2H])[2H] B129472 c1c2c(cc3c1OCCO3)OC4CCCN4C2=O B129500 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C B131000 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)Cl)C B131002 C[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)Cl)C B131005 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H](/C4=C(\C=O)/O)C)C)O)Cl)C B131007 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)COC(=O)C B131015 CCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC B131020 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC B131030 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B131032 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(F)(F)F)O)C)OC(=O)C(F)(F)F)Cl)C B131035 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO B131050 [2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO B131052 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O B131055 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O B131057 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4CCNC(C)C)O.Cl B131300 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O.Cl B131302 CC(=O)Nc1ccc(cc1)C2=N[C@H]3CCN(C[C@H]3c4c2cc(c(c4)OC)OC)C B131600 Cc1cccc(c1N(C(C)C(=O)OC)C(=O)Cc2ccccc2)C B131900 [2H]c1c(c(c(c(c1[2H])[2H])CC(=O)N(c2c(cccc2C)C)C(C)C(=O)OC)[2H])[2H] B131902 CCS(=O)(=O)Nc1cc(c(cc1C(=S)N)F)n2c(=O)n(c(n2)C(F)(F)F)C B132200 CC(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)O)NC(=O)C)c1ccc2c(c1)nc(n2C)CCCC(=O)O)C(=O)O B132480 [2H]C([2H])([2H])C(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)O)NC(=O)C([2H])([2H])[2H])c1ccc2c(c1)nc(n2C)CCCC(=O)O)C(=O)O B132482 Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCCl)CCCl.Cl B132500 [2H][H]c1cc2c(c(c1N(CCCl)CCCl)[H][2H])nc(n2C([2H])([2H])[2H])CCC([2H])([2H])C(=O)O.Cl B132502 CC(C)OC(=O)CCCc1nc2cc(ccc2n1C)N(CCCl)CCCl B132510 Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCOC(=O)CCCc3nc4cc(ccc4n3C)N(CCO)CCO B132515 c1ccc(cc1)Cn2c3ccccc3c(n2)OCC(=O)O B132600 c1ccc(cc1)CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133500 [2H]c1c(c(c(c(c1[2H])[2H])CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F)[2H])[2H] B133502 c1ccc(cc1)C[C@@H]2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133505 c1ccc(cc1)C[C@H]2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133510 CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2.Cl B135000 Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)c2ccccc2)/C B136000 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)S/C(=C(/C)\N(Cc2cnc(nc2N)C)C=O)/CCOP(=O)(O)O)[2H])[2H] B136002 CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B157490 CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B157500 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC[C@H](C2)OC(=O)C3=C(NC(=C([C@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C)[2H])[2H].Cl B157502 [HH].CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OOP(=O)=O B161500 CC(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O B165300 [2H][13C]([2H])([2H])C(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O B165302 c1ccc2c(c1)ccc3c2cc4cccc5c4c3CC5=O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2CC5=O B183540 c1ccc2c(c1)ccc3c2cc4cccc5c4c3[13CH2][13C]5=O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2[13CH2][13C]5=O B183542 [2H][13C]1(c2c3ccc4ccccc4c3cc5c2c(ccc5)[13C]1=O)[2H].[2H][13C]1(c2c3ccccc3cc4c2c(cc5c4cccc5)[13C]1=O)[2H] B183543 c1ccc2c(c1)ccc3c2cc4ccccc4c3CC(=O)O B183570 c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2][13C](=O)O B183572 COC(=O)Cc1c2ccccc2cc3c1ccc4c3cccc4 B183575 c1ccc2c(c1)ccc3c2cc4ccccc4c3CC#N B183580 c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2][13C]#N B183582 c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2]Cl B183592 c1ccc2c(c1)ccc3c2cc4ccccc4c3CO B183605 c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2]O B183607 CC(=O)OCc1c2ccccc2cc3c1ccc4c3cccc4 B183610 CC(=O)O[13CH2]c1c2ccccc2cc3c1ccc4c3cccc4 B183612 c1ccc(cc1)/C=N/N=C/c2ccccc2 B183745 c1ccc(cc1)/C=N/O B183750 c1ccc(cc1)/C=N/NC(=O)N B183930 c1ccc(cc1)/C=N/N[13C](=O)N B183932 c1ccc(cc1)C(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O B185000 c1ccc(cc1)C(=O)NOCC(=O)O B185100 [2H]C([2H])(C(=O)O)ONC(=O)c1ccccc1 B185102 CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br B185200 COC(=O)c1ccc(cc1)C(=O)OC B185325 [2H]c1c(c(c(c(c1C(=O)OC)[2H])[2H])C(=O)OC)[2H] B185327 c1ccc(c(c1)C(=O)O)C(=O)OCCCCO B185450 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCO)[2H])[2H] B185452 CC(C)CCCCCCOC(=O)c1ccccc1C(=O)O B185500 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCCCC(C)C)[2H])[2H] B185502 c1ccc2c(c1)C(=O)CCC(=O)N2 B186000 c1ccc(cc1)/N=N/C(C#N)C#N B188850 c1ccc(c(c1)[15NH2])[15NH2] B189427 c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl B189500 c1cc(c(cc1O)O)O B189800 CCOC(=O)C1(CCN(CC1)CCOCc2ccccc2)c3ccccc3.Br B190100 [2H]C1(CC(CC(N1CCOCc2ccccc2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H].Br B190102 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2.[Cl-] B190250 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCOCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)[2H])[2H].[Cl-] B190252 c1ccc(cc1)C(c2ccccc2)O B193800 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])O)[2H])[2H] B193802 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)O)[2H])[2H] B193803 c1ccc(cc1)C(c2ccccc2)N B193820 CC(C)(C)OC(=O)CNC(c1ccccc1)c2ccccc2 B193925 c1ccc(cc1)C(c2ccccc2)N3CC(C3)O B195500 c1ccc(cc1)C(c2ccccc2)N3CC(C3)C#N B196500 CS(=O)(=O)OC1CN(C1)C(c2ccccc2)c3ccccc3 B196875 c1ccc(cc1)C(c2ccccc2)N3CCNCC3 B196950 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccccc3)([2H])[2H])[2H] B196952 CCN1CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O B196990 CC[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)CC.[Br-] B197000 [2H]C([2H])([2H])C([2H])([2H])[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)CC.[Br-] B197002 c1cc2c(cc1C(=O)O)[nH]cn2 B197020 COC(=O)c1ccc2c(c1)[nH]cn2 B197025 COC(=O)c1ccc2c(c1)[nH]cn2.OS(=O)(=O)O B197030 CCCc1[nH]c2cc(cc(c2n1)C)C(=O)O B197825 Cc1c(ccn2c1c(n3c2nc4c3cccc4)Sc5[nH]c6ccccc6n5)OCC(F)(F)F B197855 CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I B197860 c1ccc2c(c1)c(ns2)C3c4cc(c(cc4NC3=O)Cl)CCN5CCN(CC5)c6c7ccccc7sn6 B197875 c1ccc2c(c1)ccc3c2cc4cccc5c4c3C=C5.c1ccc2c(c1)cc3c4c2cc5ccccc5c4C=C3 B197910 [2H][13C]1=[13C](c2c3ccc4ccccc4c3cc5c2c1ccc5)[2H].[2H][13C]1=[13C](c2c3ccccc3cc4c2c1cc5c4cccc5)[2H] B197912 c1ccc(cc1)CNC(=O)Cn2ccnc2[N+](=O)[O-] B197925 [2H]c1c(c(c(c(c1C(=O)OCC)[2H])[2H])N)[2H] B197952 CNCC12CCC(c3c1cccc3)c4c2cccc4.Cl B198200 [2H]C([2H])([2H])NCC12CCC(c3c1cccc3)c4c2cccc4.Cl B198202 c1ccc2c(c1)NC(=O)CC(=O)N2 B198600 c1ccc2c(c1)OCC(O2)C(=O)O B198700 CCC(Cc1ccc2c(c1)OCO2)N.Cl B198900 [2H]C([2H])([2H])CC(Cc1ccc2c(c1)OCO2)N.Cl B198902 CN1CC(=O)NC(C1=O)Cc2c3ccccc3[nH]c2C(=O)c4ccc5c(c4)OCO5 B198960 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1C(=O)CCl)c4ccc5c(c4)OCO5 B200000 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](N1C(=O)CCl)c4ccc5c(c4)OCO5 B200005 CC(C)(C)CC(=O)N(Cc1cccc(c1)OC)[C@H]2C[C@H](N(C2)Cc3ccc4c(c3)OCO4)C(=O)O B200010 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](N1)c4ccc5c(c4)OCO5 B200020 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1)c4ccc5c(c4)OCO5 B200025 CC(C)(C)OC(=O)NOCC(=O)O B200750 CC(C)(C)OC(=O)NOCC(=O)ON1C(=O)CCC1=O B200760 c1ccc2c(c1)c(no2)CS(=O)(=O)[O-].[Na+] B201950 CCOC(=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)N B202972 CCOC(=O)c1ccc(cc1)N[C@]2(C([C@H]([C@H](O2)CO)O)O)CO B202980 CCOC(=O)c1ccc(cc1)N[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B202985 CS(=O)(=O)SCCOC(=O)c1ccc(cc1)N B203000 c1ccc2c(c1)OCC(O2)C(=O)N3CCNCC3 B203400 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)C2COc3ccccc3O2)([2H])[2H])[2H] B203402 COC(=O)Cc1ccc2c(c1)OCO2 B203480 CCCC(C(=O)c1ccc2c(c1)OCO2)Br B203490 c1ccc2c(c1)C(=O)N(C2=O)[C@@H]([C@@H](c3ccc4c(c3)OCO4)O)C(=O)O B203500 c1ccc2c(c1)C(=O)[15N](C2=O)[13C@H]([C@@H](c3ccc4c(c3)OCO4)O)[13C](=O)O B203502 c1cc2c(cc1CCC(=O)O)OCO2 B203505 c1ccc2c(c1)OCC(O2)C#N B203510 c1cc2c(cc1/C=C/C(=O)O)OCO2 B203520 CCC(c1ccc(cc1)O)C(CC)C(C)c2ccc(cc2)O B203550 CCC(c1ccc(cc1)OC)C(CC)C(C)c2ccc(cc2)OC B203555 [2H]C([2H])([2H])OC(=O)/C(=C\c1cccc2c1non2)/C(=O)C B203652 CC(=O)Cc1ccc2ccoc2c1 B203660 c1ccc2c(c1)ccc3c2-c4ccccc4C3 B203700 c1ccc(cc1)C(=O)NO B203750 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H] B203902 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)C(=O)O B203903 Cc1c(=O)ccn(c1C(=O)O)c2[nH]c3ccccc3n2 B203960 c1ccc2c(c1)c(=O)[nH]s2 B204035 [13cH]1[13cH][13cH][13c]2c([13cH]1)c(=O)[nH]s2 B204037 c1ccc2c(c1)c(no2)CS(=O)(=O)Cl B204100 [2H]c1c(c(c2c(c1[2H])c(no2)CS(=O)(=O)Cl)[2H])[2H] B204102 CCCCNc1ccc(cc1)C(=O)OC B204500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC B204502 c1ccc(cc1)C(=O)c2ccccc2 B204980 CS(=O)(=O)SC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)C(=O)c2ccccc2 B205000 CS(=O)(=O)SCCNC(=O)c1ccc(cc1)C(=O)c2ccccc2 B205275 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)NC(=O)/C=C/C(=O)O B205550 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)N3C(=O)C=CC3=O B205625 c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 B205800 c1ccc2cc3c(cc2c1)ncc(n3)C[C@@H]([C@@H](CO)O)O B206600 C1=CC(=O)C=CC1=NO B206610 c1cc2c(c(c1)S(=O)(=O)Cl)ncs2 B206620 c1cc2c(cc1S(=O)(=O)Cl)scn2 B206625 c1ccc2c(c1)ncs2 B206640 [2H]c1c(c(c2c(c1[2H])ncs2)[2H])[2H] B206642 [2H]c1c(c(c2c(c1[2H])[nH]c(=S)s2)[2H])[2H] B206652 Cc1ccc(cc1)S(=O)(=O)Nc2c(nc3ccccc3n2)Nc4ccc5c(c4)nsn5 B206700 CO/N=C(/c1csc(n1)N)\C(=O)Sc2nc3ccccc3s2 B206760 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)Sc2nc3ccccc3s2 B206762 c1ccc2c(c1)nc(s2)SC[C@@H](C(=O)O)N B206785 c1ccc2c(c1)nc(s2)SCC[C@@H](C(=O)O)N B206795 c1ccc2c(c1)[nH]nn2 B206950 [2H]c1c(c(c2c(c1[2H])[nH]nn2)[2H])[2H] B206952 c1ccc2c(c1)nnn2C(=N)N.Cl B206970 c1cc2c(cc1S(=O)(=O)Cl)[nH]nn2 B206980 CN(C)[P+](N(C)C)(N(C)C)On1c2ccccc2nn1.F[P-](F)(F)(F)(F)F B207000 c1ccc2c(c1)nnn2O[P+](N3CCCC3)(N4CCCC4)N5CCCC5.F[P-](F)(F)(F)(F)F B207500 CN1C2C[C@@H](CC1CC2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)O B207575 c1cc(c2c(c1)non2)C=O B207680 [2H]c1c(c2c(c(c3c(c(c4c(c(c5c(c(c(c6c5c4c3c2c6c1[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] B207702 COC(=O)CCCCCNS(=O)(=O)Cc1nc2ccccc2o1 B207730 c1ccc(cc1)C(=O)CC#N B207920 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)OCC(=O)c2ccccc2)NC(=O)OCC3c4ccccc4-c5c3cccc5)CO)O)OC(=O)c6ccccc6 B207950 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)N)NC(=O)c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[2H])[2H] B207967 CC(=O)[C@@H](CC(=O)OC)NC(=O)c1ccccc1 B207975 Cc1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3COC(=O)c4ccccc4 B207980 [2H]C([2H])([2H])c1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3COC(=O)c4ccccc4 B207982 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NCCSSCCC(=O)O B208015 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NCCSSCCC(=O)ON5C(=O)CC(C5=O)S(=O)(=O)[O-].[Na+] B208020 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)C)O B208030 CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4 B208035 c1ccc(cc1)C(=O)c2cccc(c2)CBr B208050 CC1(OC2[C@@H](O1)O[C@@]([C@H]2O)(COC(=O)c3ccccc3)COC(=O)c4ccccc4)C B208065 Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)OC(=O)c5ccccc5 B208070 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)CCC)O B208075 c1ccc(cc1)COC(=O)NCC(=N)N.Cl B208080 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)C B208085 c1ccc(cc1)C(=O)Nc2ccn(c(=O)n2)[C@H]3C([C@H]([C@H](O3)CO)O)O B208090 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5ccc(nc5=O)NC(=O)c6ccccc6)O)O B208095 c1ccc(cc1)C(=O)Nc2[nH]c(=O)c3c(n2)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O B208100 c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CCl)Cl B208105 C[C@H](CCCC(C)CO)[C@H]1C(C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)c5ccccc5)C)C)O B208110 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC=C4C(=O)COC(=O)c5ccccc5)C)O B208115 c1ccc(cc1)C(=O)NN B208235 c1ccc(cc1)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-] B208250 c1ccc(cc1)C(=O)Oc2cccc3c2cc[nH]c3=O B208300 c1ccc(cc1)C(=O)c2cccc(c2)CC#N B208350 c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N.Cl B208500 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)NC(=O)c2ccccc2 B208550 CCOC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c2ccccc2)O B208555 c1ccc(cc1)C(=O)C2CCNCC2.Cl B208700 c1ccc(cc1)C(=O)CCC(=O)O B208800 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)C(=O)CCC(=O)O B208802 CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)NC(=O)OC(C)(C)C)OC(=O)c1ccccc1 B209350 CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OC(C)(C)C)OC(=O)c4ccccc4 B209475 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)[13C](=O)Cl B209552 CC[C@@H](C(=O)O)SC(=O)c1ccccc1 B209650 C[C@H](CSC(=O)c1ccccc1)C(=O)O B209700 C[C@H](CCCC(C)COC(c1ccccc1)(c2ccccc2)c3ccccc3)[C@H]4C(C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@H](C7)OC(=O)c8ccccc8)C)C)O B209750 C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2ccccc2 B209850 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](C)C(=O)O)[2H])[2H] B209852 C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[13c]2[13cH][13cH][13cH][13cH][13cH]2 B209853 CCCN(CCC)C(=O)C(Cc1ccc(cc1)O)NC(=O)c2ccccc2 B209860 C[C@H](Cc1ccccc1)N(C)Cc2ccccc2.Cl B209870 [2H]C([2H])([2H])N(Cc1ccccc1)[C@H](C)Cc2ccccc2.Cl B209872 C[C@@H](Cc1ccccc1)N(C)Cc2ccccc2.Cl B209875 [2H]C([2H])([2H])N(Cc1ccccc1)[C@@H](C)Cc2ccccc2.Cl B209877 CC(Cc1ccccc1)N(C)Cc2ccccc2.Cl B209880 [2H]C([2H])([2H])N(Cc1ccccc1)C(C)Cc2ccccc2.Cl B209882 CCN(CC)C(=O)C1CN2CCc3cc(c(cc3C2CC1OC(=O)C)OC)OC.Cl B209900 [2H]C([2H])([2H])C(=O)OC1CC2c3cc(c(cc3CCN2CC1C(=O)N(CC)CC)OC)OC.Cl B209902 c1ccc(cc1)CSCC2=NS(=O)(=O)c3cc(c(cc3N2)Cl)S(=O)(=O)N B209925 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])SCC2=NS(=O)(=O)c3cc(c(cc3N2)Cl)S(=O)(=O)N)[2H])[2H] B209927 CN(C)CCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl B209950 [2H]C([2H])([2H])N(CCCOc1c2ccccc2n(n1)Cc3ccccc3)C([2H])([2H])[2H].Cl B209952 C[N+](C)(CCCOc1c2ccccc2n(n1)Cc3ccccc3)[O-] B209960 [2H]C([2H])([2H])[N+](CCCOc1c2ccccc2n(n1)Cc3ccccc3)(C([2H])([2H])[2H])[O-] B209962 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O)OCC=C B210010 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)c3ccccc3)O[C@@H]1OCc4ccccc4)OCC=C B210100 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@H]1OCc4ccccc4)OCc5ccccc5 B210600 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@@H]1OCc4ccccc4)OCC(=O)O B210950 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O B211000 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCc4ccccc4)O B211001 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCc4ccccc4)OC B211020 CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B211035 CC(C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B211040 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211065 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O B211250 C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)COCc4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B211325 C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COCc4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B211330 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OCC=C B211355 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC=C B211360 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCc5ccccc5)O)OC(=O)C)OC(=O)C)OCC=C B211365 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)COC(O5)c6ccccc6)OC(=O)C)OC(=O)C)OCC=C B211370 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)COC(O5)c6ccccc6)O)O)OCC=C B211375 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O B211675 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCc2ccccc2)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O B211740 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211750 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211760 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)OC(=O)C)OC(=O)C B211850 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OC(=O)C)OC(=O)C B211900 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OCc3ccccc3)OCc4ccccc4 B211950 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O)OCc4ccccc4 B212000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)O)OCc4ccccc4 B212500 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O)O B212505 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O[C@H]3[C@@H]([C@H]([C@@H](O3)C(CO)O)O)O)O B212510 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O B212520 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O B212525 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O B212530 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O B212531 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O B212532 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O B212535 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O B212540 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)CO)O)O B212545 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)OC1OCc3ccccc3)O B212549 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCc3ccccc3)O B212550 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@H]1OCc3ccccc3)O B212570 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)OC1OCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218001 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218780 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218801 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B219000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OC(=O)C)OC(=O)C B219875 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C B219880 C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COCc3ccccc3)OCc4ccccc4)NC(=O)C B219950 C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)c4ccccc4C3=O)COCc5ccccc5)OCc6ccccc6)NC(=O)C B219960 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCc3ccccc3)NC(=O)C)OC(=O)C)OC(=O)C)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 B222465 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B222470 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)c3ccccc3)O)OC(=O)c4ccccc4 B222600 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)c3ccccc3)F)OC(=O)c4ccccc4 B222615 CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)NC(=O)C)OCc4ccccc4)COCc5ccccc5)COC(=O)C)OC(=O)C B222618 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)F)O B222620 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)OC B222675 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B222775 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B222860 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@H]3[C@H]2OC(OC3)c4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B222890 CC(=O)CC(=O)NCc1ccccc1 B222950 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCc3ccccc3)CO)O)O)CO)O)O B223150 C[C@@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223240 C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223250 C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223270 C[C@@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223275 C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COCc2ccccc2)OCc3ccccc3)NC(=O)C B223475 CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B224325 C=C(Cc1ccccc1)C(=O)O B224380 c1ccc(cc1)Cn2cnc3c2ncnc3N B224450 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O B224615 CC(C)(C)NCC(c1ccc(c(c1)CO)OCc2ccccc2)O B224750 C=CC[C@H]1[C@H](CCCN1C(=O)OCc2ccccc2)O B224850 c1ccc(cc1)CNc2c3cc[nH]c3ncn2 B224920 c1ccc(cc1)CO[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)N B224930 CC1(O[C@H]2[C@H](O[C@@H](C2O1)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)OCc6ccccc6)C B224945 CC1(O[C@H]2[C@H](O[C@@H](C2O1)/C(=N/O)/COC(c3ccccc3)(c4ccccc4)c5ccccc5)OCc6ccccc6)C B224947 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCc1ccccc1 B224948 CC(C)(CO)NCc1ccccc1 B224949 CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)OCc6ccccc6)C B224950 CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](CO)N)OCc3ccccc3)C B224970 c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O B225000 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)N B225600 c1ccc(cc1)CNCCOC2CCCCO2 B225650 CC(C)(/C(=N/O)/N)NC(=O)OCc1ccccc1 B225700 c1ccc(cc1)CNCCCO B225800 c1ccc(cc1)CNC[C@@H]([C@H]2CCc3cc(ccc3O2)F)O B225935 CCC(CO)(c1ccccc1)NCc2ccccc2 B225990 [2H]C([2H])([2H])C([2H])([2H])C(CO)(c1ccccc1)NCc2ccccc2 B225992 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O B227950 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O B228050 c1ccc(cc1)CNc2c3ccccc3nc4c2C(CCC4)O.C(=C\C(=O)O)\C(=O)O B230000 c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](CO2)O)O)O B230425 c1ccc(cc1)CN2[C@@H]3CC[C@H]2C[C@@H](C3)N B230760 CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3 B230770 [2H]C([2H])([2H])C(C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3)C([2H])([2H])[2H] B230772 c1ccc(cc1)CO[C@@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO[C@@H](O3)c4ccccc4)O)N=[N+]=[N-] B230785 c1ccc(cc1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N=[N+]=[N-] B230795 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)N=[N+]=[N-] B230800 c1ccc(cc1)COS(=O)(=O)c2ccccc2 B230900 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)OC(=O)c5ccccc5)OCc6ccccc6 B231000 c1ccc(cc1)CNC(=O)CN(Cc2ccccc2)C(=O)CCl B231100 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3[C@@H](COC(O3)Cc4ccccc4)O[C@@H]([C@H]2OCc5ccccc5)OCc6ccccc6)CO)O)O B231200 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3[C@@H](COC(O3)Cc4ccccc4)O[C@@H]([C@H]2OCc5ccccc5)OCc6ccccc6)COC(=O)C)OC(=O)C)OC(=O)C B231230 c1ccc(cc1)CO[C@@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)OCc5ccccc5 B231900 c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@@H](C2O)OCc5ccccc5 B231905 c1ccc(cc1)CO[C@H]2[C@@H]3C(COC(O3)c4ccccc4)O[C@H](C2OCc5ccccc5)OCc6ccccc6 B232000 c1ccc(cc1)CO[C@H]2C([C@H]([C@@H]3C(O2)COC(O3)c4ccccc4)O)O B232200 c1ccc(cc1)CO[C@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)O B232350 c1ccc(cc1)CO[C@@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)O B232500 c1ccc(cc1)COC(=O)CCc2ccc(cc2)OC(=O)CCCCCNC(=O)OCc3ccccc3 B232650 c1ccc(cc1)CN2CCC(CC2)NC(=O)OCc3ccccc3 B232660 c1ccc(cc1)COc2ccc(cc2C(=O)OCc3ccccc3)C=O B232770 c1ccc(cc1)COCC(=O)OCc2ccccc2 B232880 COC(=O)[C@H](Cc1ccc(c(c1)O)OCc2ccccc2)NC(=O)OCc3ccccc3 B232890 COc1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 B232900 [2H]C([2H])([2H])Oc1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 B232902 COc1cc2c(cc1OCc3ccccc3)C/C(=C/C4CCN(CC4)Cc5ccccc5)/C2=O B232950 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)/C=C\3/Cc4cc(c(cc4C3=O)OC)OCc5ccccc5)[2H])[2H] B232952 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)/C=C\3/Cc4cc(c(cc4C3=O)OCc5ccccc5)OC)[2H])[2H] B232957 c1ccc(cc1)CN2CCC(CC2)(C#N)N3CCCCC3 B232980 c1ccc(cc1)CN2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O B233025 CN(Cc1ccccc1)CC(c2ccc(c(c2)O)O)O B276400 [2H]C([2H])([2H])N(Cc1ccccc1)CC(c2ccc(c(c2)O)O)O B276402 CCN(Cc1ccccc1)C(=O)[C@@]2(C[C@@H]2CO)c3ccccc3 B276410 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)OCc5ccccc5 B276450 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)O)OCc5ccccc5 B276455 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)OCc5ccccc5 B276470 [2H][C@@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])OCc5ccccc5)C)O B276472 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OCc5ccccc5 B276475 CC(C)(c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O B233055 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(C)(C)c3ccc(cc3)OCc4ccccc4)C(=O)OC)OC(=O)C B233060 [2H]C([2H])([2H])C(c1ccc(cc1)OCc2ccccc2)(c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C([2H])([2H])[2H] B233062 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)OCc4ccccc4)O.Cl B233100 CC(C)(C)OC(=O)NCCSCc1ccccc1 B233200 [2H]C1(C2CCCN(C2C(N1Cc3ccccc3)([2H])[2H])C(=O)OC(C)(C)C)[2H] B233282 COc1ccc(cc1)[C@H](Cc2ccc(cc2Br)OC)C(=O)N3[C@H](COC3=O)Cc4ccccc4 B233310 c1ccc(cc1)COC(=O)N2CCC[C@H]3[C@@H]2CC(O3)CBr B233340 [2H]c1c(c(c(c(c1OCc2ccccc2)[2H])[2H])Br)[2H] B233397 CC(C)[Si]1(OC[C@@H]2C(C[C@@H](O2)n3c4c(c(nc(n4)N)OCc5ccccc5)nc3Br)O[Si](O1)(C(C)C)C(C)C)C(C)C B233450 CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NOCc1ccccc1 B233490 CC(C)(C)OC(=O)Nc1ccc(c(c1)C(=O)OCc2ccccc2)OCc3ccccc3 B233495 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)OC(=O)C(C)(C)C)OCc5ccccc5 B233500 CC(C)[C@H]1[C@@](N(CO1)Cc2ccccc2)(CO)CO[Si](C)(C)C(C)(C)C B233520 CC(C)[C@H]1[C@](N(CO1)Cc2ccccc2)(CO[Si](C)(C)C(C)(C)C)C(=O)OC B233530 Cc1cccc(c1OC(=O)[C@H](C)[C@@H]([C@]2([C@@H](OCN2Cc3ccccc3)C(C)C)CO[Si](C)(C)C(C)(C)C)O)C B233540 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 B233555 [2H]c1c(c(c(c(c1[2H])C(=O)OCCCC)C(=O)OCc2ccccc2)[2H])[2H] B233557 CC(C)(C)[C@@H]1N([C@@H](CO1)C(=O)OC)Cc2ccccc2 B233570 CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)CCOCc3ccccc3 B233600 [2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)CCOCc3ccccc3)[2H])[2H] B233602 c1ccc(cc1)COC(=O)NN B233620 c1ccc(cc1)COC(=O)[C@H](CCCCO)NC(=O)OCc2ccccc2 B233645 CCOC(=O)C1CCN(CC1)Cc2ccccc2 B233660 COc1ccccc1OCCN(Cc2ccccc2)CC(COc3cccc4c3c5ccccc5[nH]4)O B233670 [2H]c1c(c(c(c(c1[2H])[2H])CN(CCOc2ccccc2OC)CC(COc3cccc4c3c5ccccc5[nH]4)O)[2H])[2H] B233672 c1ccc(cc1)CCl B233675 [2H]c1c(c(c(c(c1[2H])[2H])CCl)[2H])[2H] B233677 c1ccc(cc1)COC(=O)N2CCN(CC2)C(=O)OC3c4c(nccn4)C(=O)N3c5ccc(cn5)Cl B233680 c1ccc(cc1)Cn2c3ccccc3c(n2)OCCCCl B233690 c1ccc(cc1)CN2CCN(CC2)c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)OCc6ccccc6 B233700 c1ccc(cc1)CNC(=O)NC(=O)CC#N B233750 C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)C#N)(C)OC)OC B233780 CC(C)(C#N)NC(=O)OCc1ccccc1 B233870 c1ccc(cc1)CN2CCC(CC2)(C#N)c3ccccc3 B233900 c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)O)N B234500 c1ccc(cc1)COc2cccc3c2CN(CC3)C(=N)N B234520 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3coc4cc(ccc4c3=O)OCc5ccccc5)C(=O)OC)OC(=O)C B234545 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=CC2=O)OCc5ccccc5 B234560 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=CC25OCCO5)OCc6ccccc6 B234565 CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)Cc3ccccc3 B234590 [2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)Cc3ccccc3 B234592 c1ccc(cc1)CO[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2OC(OC3)c4ccccc4)OCc5ccccc5)NC(=O)c6ccccc6C(=O)O B234665 c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@H]([C@H](O4)CO)O B234700 c1ccc(cc1)CO[C@H]2[C@H]([C@@H]([C@@H](CO2)C[N+](=O)[O-])O)O B234820 c1ccc(cc1)CO[C@H]2[C@H]([C@@H](C(CO2)C[N+](=O)[O-])O)O B234825 c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@H](C2N5C(=O)c6ccccc6C5=O)OCc7ccccc7 B234830 c1ccc(cc1)CO[C@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)N5C(=O)c6ccccc6C5=O B234833 c1ccc(cc1)COCC2C[C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6 B234835 CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)COCc7ccccc7)N8C(=O)c9ccccc9C8=O)OC(=O)C B234850 c1ccc(cc1)COCC2[C@H]([C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)O B234855 c1ccc(cc1)COCC2[C@H]([C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)OC(=S)Oc7ccccc7 B234860 c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)N3C(=O)c4ccccc4C3=O B234870 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)N3C(=O)c4ccccc4C3=O)OC(=O)C)OC(=O)C B234873 c1ccc(cc1)COc2ccccc2OCCNC[C@@H](COc3cccc4c3c5ccccc5[nH]4)O B234875 [2H]C([2H])([2H])N(Cc1ccccc1)C[C@H]2CCCC[C@@]2(c3cccc(c3)OC)O B234922 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCc3ccccc3)CO)CO)O)O B235000 CC(=O)O[C@H]1[C@@H](/C(=C\[N+](=O)[O-])/CO[C@H]1OCc2ccccc2)OC(=O)C B251250 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OCc2ccccc2)OC(=O)C)OC(=O)C B251280 c1ccc(cc1)CN2C[C@H]3CC[C@@H](C2)N3 B251290 [2H]c1c(c(c2c(c1[2H])CC(=O)c3ccccc3N2Cc4ccccc4)[2H])[2H] B251307 CCCCC(=O)NC(COCc1ccccc1)C#N B258850 [2H]C([2H])([2H])CCCC(=O)NC(COCc1ccccc1)C#N B258852 CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC)COCc2ccccc2)O B275150 c1ccc(cc1)CN(Cc2ccccc2)CC(C(=O)OCc3ccccc3)F B275350 c1ccc(cc1)CN(Cc2ccccc2)[13CH2][13C@H]([13C](=O)OCc3ccccc3)F B275352 c1ccc(cc1)CO[C@H]2[C@H](C(O[C@H](C2OCc3ccccc3)OCc4ccccc4)COC(=O)c5ccccc5)O B275425 c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@H](C2OCc5ccccc5)OCc6ccccc6 B275500 c1ccc(cc1)CN2[C@H]3COC(O[C@H]3[C@H]4[C@@H]2COC(O4)c5ccccc5)c6ccccc6 B275510 c1ccc(cc1)CO[C@H]2[C@H](C(O[C@H](C2OCc3ccccc3)OCc4ccccc4)CO)O B275550 c1ccc(cc1)COC(=O)CCCC(=O)O/C(=N\C2CCCCC2)/NC3CCCCC3 B275640 CCN(CC)CCCOc1c2ccccc2n(n1)Cc3ccccc3 B275750 c1ccc(cc1)CN2CC(=O)c3c(cccn3)C2=O B275850 c1ccc(cc1)CN2C=CCC(=C2)C(=O)N B275910 CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)OCc4ccccc4)C B276000 CC1(OCC(O1)[C@@H]2C3[C@H]([C@H](O2)OCc4ccccc4)OC(O3)(C)C)C B276100 C[C@]1([C@@](O[C@H]2[C@H](O1)[C@@H](CO[C@H]2OCc3ccccc3)O)(C)OC)OC B276120 C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)O)(C)OC)OC B276125 C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)OC(=O)c4ccc(cc4)[N+](=O)[O-])(C)OC)OC B276130 COc1cc2c(cc1OC)C(=O)/C(=C\C3CCN(CC3)Cc4ccccc4)/C2 B276140 COc1cc2c(cc1OC)[13C](=O)/[13C](=C\C3CCN(CC3)Cc4ccccc4)/[13CH2]2 B276142 COc1cc2c(cc1OC)C(=O)/C(=C\C3CCN(C=C3)Cc4ccccc4)/C2 B276145 COc1cc2c(cc1OC)C(=O)C(C2)Cc3cc[n+](cc3)Cc4ccccc4.[Br-] B276150 COc1ccc(cc1OC)CCC(=O)NCc2ccccc2 B276155 COc1cc2c(cc1OC)CN(CCC2)Cc3ccccc3 B276180 COc1cc2c(cc1OC)CN(C(=O)CC2)Cc3ccccc3 B276185 CC1(N([C@H]2c3ccccc3C[C@H]2O1)C(=O)[C@H](Cc4ccccc4)C[C@H]5CO5)C B276235 Cc1cc[n+](cc1C)Cc2ccccc2.[Cl-] B276265 C[C@@H]1CC[C@H](N1Cc2ccccc2)C B276275 CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] B276285 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCC)[2H])[2H].[Cl-] B276287 c1ccc(cc1)CN2C(=O)C3=C(C2=O)NCCC3 B276295 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC(=O)O B276305 c1ccc(cc1)COC(=O)C2CCN2C(c3ccccc3)c4ccccc4 B276315 c1ccc(cc1)COC(=O)[C@H](CO)N=C(c2ccccc2)c3ccccc3 B276355 c1ccc(cc1)COc2ccc(cc2O)CCN B276385 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c5ccc(cc5)[N+](=O)[O-])OCc6ccccc6 B276480 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC=C2)OCc5ccccc5 B276485 c1ccc(cc1)COc2c3c(n4ccnc4n2)n(cn3)[C@H]5C([C@H]([C@H](O5)CO)O)O B276490 [2H]c1nc2c(nc3n[13cH][13cH]n3c2n1[C@H]4C([C@H]([C@H](O4)CO)O)O)OCc5ccccc5 B276492 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OCc5ccccc5 B276495 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)OCc5ccccc5 B276500 [2H][C@@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C)O)O B276502 CCOc1ccccc1OCCNCc2ccccc2 B276505 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC25OCCO5)OCc6ccccc6 B276510 CC(=O)O[C@@H]1[C@@H]([C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C)O)O B276515 CC(C)[Si]1(OC[C@@H]2[C@@H](C[C@@H](O2)n3cnc4c3n5ccnc5nc4OCc6ccccc6)O[Si](O1)(C(C)C)C(C)C)C(C)C B276520 CC(C)[Si]1(OC[C@@H]2[C@@H](C([C@@H](O2)n3cnc4c3n5ccnc5nc4OCc6ccccc6)OC(=S)Oc7ccccc7)O[Si](O1)(C(C)C)C(C)C)C(C)C B276525 CCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)n2cnc3c2ncnc3NCc4ccccc4)O)O B276550 CCC(c1ccccc1)(C(=O)OCC)NCc2ccccc2 B276555 [2H]C([2H])([2H])Oc1cc(cc(c1OCc2ccccc2)OC)[C@@H]3c4cc5c(cc4C(C6[C@@H]3C(=O)OC6)O[C@H]7[C@@H]([C@H]([C@H]8[C@H](O7)CO[C@H](O8)C)O)O)OCO5 B276562 CCC(=O)N(c1ccccc1)C2CCN(CC2)Cc3ccccc3 B276580 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)Cc3ccccc3 B276582 CC(C)(c1nc(c(c(=O)n1C)O)C(=O)NCc2ccc(cc2)F)NC(=O)OCc3ccccc3 B276590 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)OCc2ccccc2)C(=O)NCc3ccc(cc3)F)O B276592 c1ccc(cc1)CNC(=O)/C=C/c2ccc(cc2)F B276600 CS(=O)(=O)OC[C@@H]1CN(CC[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276650 [2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])OS(=O)(=O)C)c3ccc(cc3)F)[2H] B276652 COC(=O)[C@H]1CN(C(=O)C[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276660 COC(=O)[C@@H]1CN(C(=O)C[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276661 c1ccc(cc1)CN2CC[C@H]([C@@H](C2)CO)c3ccc(cc3)F B276670 [2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])O)c3ccc(cc3)F)[2H] B276672 c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B276750 c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B276760 c1ccc(cc1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B276780 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCc2ccccc2)C(=O)OC)OC(=O)C B276785 c1ccc(cc1)COCC(CO)O B277000 c1ccc(cc1)COCC2COC(=O)O2 B278000 c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N B278500 c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O B278525 c1ccc(cc1)CSCC[C@@H](C(=O)O)N B278800 c1ccc(cc1)CC2C(=O)NC(=O)N2 B279000 c1ccc(cc1)CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)Cl B279020 [2H]c1c(c(c(c(c1[2H])[2H])CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)Cl)[2H])[2H] B279022 c1ccc(cc1)CNC(=O)COCCNCCO B279025 [2H]C1(c2ccccc2N(c3ccccc3C1([2H])O)Cc4ccccc4)[2H] B279032 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)OCc5ccccc5 B279035 CC(C(=O)c1ccccc1)N(CCO)Cc2ccccc2.Cl B279040 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(C)N(CCO)Cc2ccccc2)[2H])[2H].Cl B279042 c1ccc(cc1)Cn2c3ccccc3c(=O)[nH]2 B279045 c1ccc(cc1)COC(=O)NCCc2c[nH]c3c2cc(cc3)O B279050 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] B279070 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] B279072 c1ccc(cc1)CON.Cl B279080 CC(Cc1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)N)OCc4ccccc4)O B279092 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)NC=O)OCc4ccccc4)O B279097 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)[N+](=O)[O-])OCc4ccccc4)O B279102 c1ccc(cc1)COc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O B279110 CS(=O)(=O)SCc1ccccc1 B285500 COC(=O)C1CN(CCC1=O)Cc2ccccc2 B285510 COc1ccc(cc1)CC(=O)N2[C@H](COC2=O)Cc3ccccc3 B285530 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCc2ccccc2 B285577 c1ccc(cc1)COc2ccccc2C(=O)OCc3ccccc3 B285585 c1ccc(cc1)CO[13c]2[13cH][13cH][13cH][13cH][13c]2C(=O)OCc3ccccc3 B285587 CC(C(=O)c1ccc(cc1)OCc2ccccc2)Br B285590 CN(Cc1ccccc1)C[C@@H](c2ccc(c(c2)OC)OC)O B285595 [2H]C([2H])([2H])N(Cc1ccccc1)C[C@@H](c2ccc(c(c2)OC)OC)O B285597 c1ccc(cc1)COc2cc(c3c(=O)cc(oc3c2)c4ccc5c(c4)OC(O5)(c6ccccc6)c7ccccc7)O B285610 CN(Cc1ccccc1)CC(=O)c2ccc(c(c2)O)O B285620 [2H]C([2H])([2H])N(Cc1ccccc1)CC(=O)c2ccc(c(c2)O)O B285622 COC(=O)c1ccc(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)OCc3ccccc3 B279115 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(ccc2OCc3ccccc3)C(=O)OC)C(=O)OC)OC(=O)C B279120 c1ccc(cc1)COC(=O)CCc2ccc(cc2)O B279125 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)O B279140 CCOC(=O)C(C)/N=C/c1ccccc1 B279155 c1ccc(cc1)/C=N/N2C(=O)C(=O)NC2=O B279160 c1ccc(cc1)/C=N/N2CC(=O)NC2=O B279165 c1ccc(cc1)/C=N/N2[13CH2][13C](=O)N[13C]2=O B279167 CC(C)(C)OC(=O)N1CC([C@H]([C@H]2C1COC(O2)c3ccccc3)O)O B279170 Cc1ccc(cc1)S(=O)(=O)OC2CN(C3COC(O[C@H]3[C@@H]2O)c4ccccc4)C(=O)OC(C)(C)C B279175 c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H](C=CO3)O B279200 c1ccc(cc1)C2OCC3[C@@H](O2)[C@@H](C([C@@H](O3)O)O)O B279235 c1ccc(cc1)[C@H]2OC[C@H](CO2)O B279275 CCOC(=O)C/N=C/c1ccccc1 B279325 CCN(CC)CC.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)COC(O3)c4ccccc4)OC(=O)C)OC(=O)C)OC(=O)C B279400 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1COC(OC1)c2ccccc2 B279475 CCOC(=O)C(c1ccccc1)/N=C/c2ccccc2 B279550 C#CC/N=C/c1ccccc1 B279625 c1ccc(cc1)CN2C[C@H](C([C@@H](C2COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 B279680 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]4[C@@H](CO[C@@H](O4)c5ccccc5)OC([C@@H]3O)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B279750 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H]4[C@@H](COC(O4)c5ccccc5)O[C@H]3OCc6ccccc6)O)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B279752 COC(=O)/C=C/c1ccc(c(c1)O)OCc2ccccc2 B279760 COC(=O)/C=C/c1ccc(c(c1)OS(=O)(=O)[O-])OCc2ccccc2.c1cc[nH+]cc1 B279765 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-] B279780 [2H]c1c(c(c(c(c1[2H])[2H])C[N+](C)(C)CCCCCCCCCCCC)[2H])[2H].[Br-] B279782 c1ccc(cc1)COC(=O)C2[C@H](C([C@@H]([C@@H](O2)O)O)O)O B279800 c1ccc(cc1)CO[13C](=O)[13CH]2[13C@H]([13C@@H]([13CH]([13C@@H](O2)O)O)O)O B279802 c1ccc(cc1)CN2CNC(=S)NC2 B279815 CCCCCC(=O)N1[C@H](COC1=O)Cc2ccccc2 B279830 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)NC=O B279842 CCCCCCCCCCC[C@@H](C[C@@H]([C@@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O B279850 CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O B279851 CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O[Si](C(C)C)(C(C)C)C(C)C B279870 c1ccc(cc1)CNN B279880 c1ccc(cc1)COC(=O)N2CCC[C@H]3[C@@H]2CC(O3)(Cn4cnc5cc(c(cc5c4=O)Cl)Br)O B279900 c1ccc(cc1)Cn2c3ccccc3c(=O)[n-]2.[Na+] B279940 c1ccc(cc1)CCCCP(=O)(CC(=O)OCc2ccccc2)O B279945 CC(C)CN(C[C@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)N B279950 c1ccc(cc1)COC(=O)Cc2ccc(cc2)O B279955 c1ccc(cc1)CCC(C(=O)OCc2ccccc2)O B279960 c1ccc(cc1)COC(=O)CCO B279965 c1ccc(cc1)Cn2ccc3c2ccc(c3)C=O B279970 CC[C@](c1cccc(c1)OCc2ccccc2)([C@@H](C)CN(C)C)O B279980 [2H]C([2H])([2H])C([2H])([2H])[C@](c1cccc(c1)OCc2ccccc2)([C@@H](C)CN(C)C)O B279982 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)OCc5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C B279990 [C-]#[N+]Cc1ccccc1 B279995 CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CO)O)OCc3ccccc3)C B280000 CC1(OCC(O1)COCc2ccccc2)C B281000 CC1(OC[C@@H](O1)COCc2ccccc2)C B281010 CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H]([C@H](CO)O)O)OCc3ccccc3)C B281050 CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](CO)O)OCc3ccccc3)C B281200 CC1(O[C@H]2[C@H](O[C@@H](C2O1)C=O)OCc3ccccc3)C B281325 CC1(O[C@H]2[C@H](O[C@@H](C2O1)C(=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OCc6ccccc6)C B281375 CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)OCc6ccccc6)C B281390 Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C(C)C B281420 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C)C([2H])([2H])[2H] B281422 c1ccc(cc1)CN=C=S B281500 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])N=C=S)[2H])[2H] B281502 c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O)O)O B281625 c1ccc(cc1)COc2cc(c3c(=O)cc(oc3c2)c4ccc(c(c4)O)O)O B281650 c1ccc(cc1)CC(C(=O)O)C(=O)O B281690 c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B282000 c1ccc(cc1)CO[C@H]2[C@@H](C(O[C@@H](C2O)O)CO)O B282425 c1ccc(cc1)CO[C@H]2[C@@H](C(O[C@H](C2O)O)CO)O B282450 CN(Cc1ccccc1)CC2CCCCC2=O.Cl B285655 CCC(CO)(c1ccccc1)N(C)Cc2ccccc2 B285660 [2H]C([2H])([2H])C([2H])([2H])C(CO)(c1ccccc1)N(C)Cc2ccccc2 B285662 CN(Cc1ccccc1)C(=N)NC(=N)N.Cl B285670 CN(Cc1ccccc1)C[C@H]2CCCC[C@@]2(c3cccc(c3)OC)O.Cl B285675 CC1CN(CCC1=O)Cc2ccccc2 B285680 [2H]C([2H])([2H])C(CC)C(=O)OCc1ccccc1 B285687 CC1(O[C@@H]2CO[C@@]([C@@H]([C@@H]2O1)OCc3ccccc3)(CO)O)C B285690 CN(CCCCN)Cc1ccccc1 B285695 [2H]C([2H])([2H])[C@H](CCCC)C(=O)N1[C@H](COC1=O)Cc2ccccc2 B285702 CC1C(=O)CCN1Cc2ccccc2 B285705 CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC B285710 CCC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)Cc3ccccc3 B285715 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)Cc3ccccc3 B285717 COC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)[NH3+].C(=O)(C(F)(F)F)[O-] B285720 Cn1c(=O)n(c(=O)s1)Cc2ccccc2 B285725 c1ccc(cc1)CN(CC(C2CCc3cc(ccc3O2)F)O)CC(C4CCc5cc(ccc5O4)F)O B285730 [2H]C([2H])(C(C1CCc2cc(ccc2O1)F)O)N(Cc3ccccc3)C([2H])([2H])C(C4CCc5cc(ccc5O4)F)O B285732 c1ccc(cc1)CN(C[C@@H]([C@H]2CCc3cc(ccc3O2)F)O)C[C@@H]([C@@H]4CCc5cc(ccc5O4)F)O B285733 c1ccc(cc1)CN2c3ccc(cc3C(=C(C#N)C#N)C2=O)S(=O)(=O)N4CCSCC4 B285735 CC(=O)C[C@@H]1[C@H](CCCN1C(=O)OCc2ccccc2)O B285740 c1ccc(cc1)COC(=O)NC(CNOCc2ccccc2)C(=O)O B285745 CC(=O)Nc1ccc(c(c1)SC)OCc2ccccc2 B285750 [2H]C([2H])([2H])Sc1cc(ccc1OCc2ccccc2)NC(=O)C B285752 c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@@H]3C(=O)O B285755 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@@H]3C(=O)O)[2H])[2H] B285757 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC B285760 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC)[2H])[2H] B285762 c1ccc(cc1)CN2[C@@H](COCC2=O)C(=O)O B285765 CCC1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285770 COc1ccc(cc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B287660 c1ccc(cc1)COc2ccc(c(c2)N)N B287665 c1ccc(cc1)COc2ccc(cc2)CCO B287670 CC(C)C(=O)CC(=O)Nc1ccccc1OCc2ccccc2 B287675 CC[C@@]1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285775 CCC1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285776 c1ccc(cc1)CCC(C(=O)OCc2ccccc2)OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-] B285780 c1ccc(cc1)CO[C@H]2[C@H]([C@@H]([C@](CO2)(C[N+](=O)[O-])O)O)O B285785 c1ccc(cc1)COC(=O)N2CCC34CCCCC3C2Cc5c4cc(cc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O B285790 [2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)[2H] B285792 c1ccc(cc1)CN2CCN(CC2)N=O B285795 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)C45CCCCC4C(C3)N(CC5)C(=O)OCc6ccccc6)C(=O)OC)OC(=O)C B285800 [2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)[2H] B285802 CCC(=O)N(c1ccccc1)C2(CCN(CC2)Cc3ccccc3)COC B285805 [2H]C([2H])([2H])OCC1(CCN(CC1)Cc2ccccc2)N(c3ccccc3)C(=O)CC B285807 c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(=O)C3 B285810 c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(=NO)C3 B285815 c1ccc(cc1)C[C@@H]2COC(=O)N2 B285820 c1ccc(cc1)C[C@H]2COC(=O)N2 B285825 c1ccc(cc1)CN2c3ccccc3CC(=O)c4c2cccc4 B285830 c1ccc(cc1)COCC=O B285835 [2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])S)OCc2ccccc2 B285842 CC(=O)c1cccc(c1)OCc2ccccc2 B285845 c1ccc(cc1)COC(=O)N[C@@H](CNOCc2ccccc2)C(=O)O B285850 c1ccc(cc1)COCC(C#N)N B285855 c1ccc(cc1)COc2ccccc2N B285860 CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)OCc2ccccc2 B285865 c1ccc(cc1)COC(=O)NC2CCNCC2.Cl B285870 c1ccc(cc1)COc2ccc(cc2)C=O B285876 c1ccc(cc1)COc2ccc(cc2)[13CH]=O B285877 c1ccc(cc1)COc2ccc(cc2)[13CH2]O B285878 c1ccc(cc1)COc2ccc(cc2)Br B285879 CC(=O)Nc1ccc(c(c1)SCC(C(=O)OC)NC(=O)OCc2ccccc2)OCc3ccccc3 B285880 c1ccc(cc1)COc2ccc(c(c2)Br)[N+](=O)[O-] B285883 c1ccc(cc1)COC(=O)NCCCCCC(=O)O B285885 COC(=O)c1ccccc1Sc2cc(ccc2N)OCc3ccccc3 B285886 COC(=O)c1ccccc1Sc2cc(ccc2[N+](=O)[O-])OCc3ccccc3 B285888 CC1[C@H]([C@@H](C([C@H](O1)NC(=O)CCCCCNC(=O)OCc2ccccc2)O)O)O B285890 c1ccc(cc1)COC(=O)NCCCCCC(=O)N[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O B285895 CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C B285896 CCCC[N+](CCCC)(CCCC)CCCC.C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)OCc2ccccc2 B285897 C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 B285898 c1ccc(cc1)COC(=O)[C@H](CCl)NC(=O)OCc2ccccc2 B285899 COC(=O)[C@H](CCl)NC(=O)OCc1ccccc1 B285901 c1ccc(cc1)COC(=O)N[C@@H]([C@@H](c2ccc3c(c2)OCO3)O)C(=O)O B285903 c1ccc(cc1)COc2ccc3c(c2)Sc4ccccc4C(=O)N3 B285913 c1ccc(cc1)COC(=O)NO B285915 c1ccc(cc1)COC(=O)N2COC(=O)[C@@H]2CCC(=O)O B285918 CC(=O)CC[C@H]1C(=O)OCN1C(=O)OCc2ccccc2 B285920 C[C@H]([C@@H](C(=O)N)NC(=O)OCc1ccccc1)O B285923 C[C@H]([C@@H](C(=O)N)NC(=O)OCc1ccccc1)OS(=O)(=O)C B285924 c1ccc(cc1)COC(=O)N[C@@H](C(=O)c2c[nH]c3c2cccc3)C(=O)N B285925 c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)c3c[nH]c4c3cc(cc4)Br B285927 COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285928 COc1cc(ccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285929 COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285930 COc1ccc(cc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285931 c1ccc(cc1)COc2ccccc2OCCNCC(COc3cccc4c3c5ccccc5[nH]4)O B285932 c1ccc(cc1)COc2ccccc2OCCNC[C@H](COc3cccc4c3c5ccccc5[nH]4)O B285933 c1ccc(cc1)COc2nc3c(=O)[nH]c(nc3n2[C@H]4CC([C@H](O4)CO)O)N B285935 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)OCc5ccccc5)([2H])[2H])[2H] B285937 c1ccc(cc1)COc2ccc3c(c2)Sc4ccccc4C(=N3)N5CCNCC5 B285938 Cc1cnc(c(c1OC)C)CSc2[nH]c3ccc(cc3n2)OCc4ccccc4 B285940 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OCc2ccccc2 B285943 c1ccc(cc1)COc2cccc3c2cc[nH]3 B285944 c1ccc(cc1)COc2ccc3cc[nH]c3c2 B285945 c1ccc(cc1)COc2cccc3c2[nH]cc3 B285946 c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)C=O B285948 c1ccc(cc1)COc2ccc3c(c2)cc[nH]3 B285949 c1ccc(cc1)COc2ccc3c(c2)[nH]cc3CC#N B285950 c1ccc(cc1)COc2cccc3c2c(c[nH]3)CC#N B285955 CN(C)Cc1c[nH]c2c1c(ccc2)OCc3ccccc3 B285958 CN(C)Cc1c[nH]c2c1cccc2OCc3ccccc3 B285961 c1ccc(cc1)COc2ccc3c(c2)[nH]cc3CCN B285965 C.c1ccc(cc1)COc2cccc3c2c(c[nH]3)CCN B285968 CCOC(=O)C(Cc1c[nH]c2c1cccc2OCc3ccccc3)(C(=O)OCC)NC=O B285970 c1ccc(cc1)COc2ccc3c(c2)nc([nH]3)S B285975 COc1ccc(cc1OCc2ccccc2)C=O B285980 COc1cc(ccc1OCc2ccccc2)C=O B285981 COc1cc(ccc1C=O)OCc2ccccc2 B285983 COc1cc(c(cc1OCc2ccccc2)[N+](=O)[O-])/C=C/[N+](=O)[O-] B285985 COc1cc2c(cc1OCc3ccccc3)CCC2=O B285988 COc1cc2c(cc1OCc3ccccc3)C(=O)CC2 B285989 COc1cc2c(cc[nH]2)cc1OCc3ccccc3 B285990 COc1cc2cc[nH]c2cc1OCc3ccccc3 B285995 COc1cc2cc([nH]c2cc1OCc3ccccc3)C(=O)O B286000 C[C@@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286005 C[C@@H](C(=O)OC(C)(C)C)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286010 C[C@H](C(=O)OC(C)(C)C)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286015 CCOC(=O)Oc1cc(ccc1OCc2ccccc2)CC3=NCCc4c3cc(c(c4)OC)OCc5ccccc5.Cl B286020 c1ccc(cc1)CCC(=O)C(=O)OCc2ccccc2 B286025 COc1cc2c(cc1OCc3ccccc3)C(NCC2)Cc4ccc(c(c4)O)OCc5ccccc5 B286030 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 B286035 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)[2H])[2H] B286037 CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)OCc3ccccc3)CCO B286040 c1ccc(cc1)COc2ccc(cc2Cl)Br B286045 c1ccc(cc1)COCC(COCc2ccccc2)OCn3cnc4c3nc(nc4Cl)N B286050 [2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)OCn2cnc3c2nc(nc3Cl)N)OCc4ccccc4 B286052 c1ccc(cc1)COC(=O)N[C@H](CC(=O)N2CCOCC2)CO B286055 c1ccc(cc1)COC(=O)N[C@H](CC(=O)N2CCOCC2)CSc3ccccc3 B286060 CC(C)(CNC(=O)OCc1ccccc1)C(=O)N B286065 [2H]C([2H])([2H])C(CNC(=O)OCc1ccccc1)(C(=O)N)C([2H])([2H])[2H] B286067 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)NC(=O)OCc2ccccc2 B286070 c1ccc(cc1)COC(=O)NCCCC(=O)O B286075 c1ccc(cc1)COC(=O)[15NH][13CH2][13CH2]O B286082 c1ccc(cc1)COc2cccc(c2)CCl B286085 c1ccc(cc1)COC(=O)NCC2[C@H](C(C([C@H](O2)OC3[C@H](C[C@H]([C@@H](C3O)O[C@@H]4C([C@H]([C@@H](C(O4)CO)O)N)O)N)N)O)O)O B286090 CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1.C1CCC(CC1)NC2CCCCC2 B286095 [2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)OCn2cnc3c2nc([nH]c3=O)N)OCc4ccccc4 B286102 c1ccc(cc1)COc2ccc(c3c2[nH]c(=O)cc3)[C@H](CBr)O B286110 c1ccc(cc1)COc2ccc(c3c2[nH]c(=O)cc3)C(=O)CBr B286115 c1ccc(cc1)COc2cc(ccc2O)Br B286120 c1ccc(cc1)COc2ccccc2Br B286125 c1ccc(cc1)COC(=O)N[C@@H](CO)C(=O)NOCc2ccccc2 B286130 c1ccc(cc1)COC(=O)NC(CO)C(=O)NOCc2ccccc2 B286135 c1ccc(cc1)COc2ccc(cc2)/N=N/c3ccccc3 B286140 c1ccc(cc1)COc2ccc(cc2O)CCNC(=O)OCc3ccccc3 B286145 CCCCCCCCc1ccc(cc1)CC[C@](COC(=O)C)(COP(=O)(OCc2ccccc2)OCc3ccccc3)NC(=O)OCc4ccccc4 B286150 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5OCc6ccccc6 B286155 c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)(c5ccccc5)Cl B286160 c1ccc(cc1)COc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)CCNC(=O)OCc4ccccc4.[Na+] B286165 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(ccc2OCc3ccccc3)CCNC(=O)OCc4ccccc4)C(=O)OC)OC(=O)C B286170 c1ccc(cc1)COC(=O)N2CCC(CC2)(c3ccc(cc3)Cl)O B286175 [2H]c1c(c(c(c(c1C2(CCN(CC2)C(=O)OCc3ccccc3)O)[2H])[2H])Cl)[2H] B286177 c1ccc(cc1)COC(=O)N2CCC34CCCCC3C2Cc5c4cc(cc5)O B286180 [2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O)[2H] B286182 COc1cc(ccc1OCc2ccccc2)CO B286185 c1ccc(cc1)COc2cccc(c2)CO B286190 CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)CCCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C B286195 CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCc2ccccc2 B286200 c1ccc(cc1)COC(=O)N[C@@H](CCCC(=O)N)C(=O)O B286210 c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N B286220 c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)(c5ccccc5)O B286230 c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)O B286240 CSc1ncc(c(n1)Cl)OCc2ccccc2 B286250 c1ccc(cc1)COC(=O)N2CC([C@H]([C@H]3C2COC(O3)c4ccccc4)O)O B286255 CC(=O)O[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)c3ccccc3)C(=O)OCc4ccccc4 B286260 c1ccc(cc1)COC(=O)N2CCCC[C@@H]2C=O B286270 c1ccc(cc1)COc2ccc(cc2Cl)N3CCNCC3 B286280 c1ccc(cc1)COP(Cl)Cl B286290 c1ccc(cc1)COC(=O)N2CCCC[C@@H]2C(=O)O B286300 c1ccc(cc1)COC(=O)NCCc2c[nH]c3c2cc(cc3)OS(=O)(=O)O B286305 c1ccc(cc1)COc2ccc(cc2)[C@@H]3C(C(=O)N3c4ccc(cc4)F)CC[C@@H](c5ccc(cc5)F)O B286310 CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OCc3ccccc3 B286315 CC(C)[C@H](C(=O)OC)NC(=O)OCc1ccccc1 B286320 c1ccc(cc1)COC2CCC(CC2)C(=O)C3CCCCC3 B286325 c1ccc(cc1)COC(=O)N2CCCC[C@@H]2CO B286330 c1ccc(cc1)COC2CCC(CC2)C#N B286335 c1ccc(cc1)COC(=O)N2CCC(=O)CC2 B286340 c1ccc(cc1)COC2CCC(=O)CC2 B286345 Cc1ccc(cc1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)CCl B286350 c1ccc(cc1)COc2ccc(cc2O)C=O B286355 CC1=CC=C(CC1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)C=O B286360 Cc1ccc(cc1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)CO B286365 c1ccc(cc1)COc2ccc(cc2O)CC(=O)O B286370 c1ccc(cc1)COc2c(cc(cc2O)C(=O)OCc3ccccc3)O B286375 CN(C)CCOc1ccc(cc1)/C(=C(/CCO)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4 B286380 CNCCc1ccc(c(c1)OC)OCc2ccccc2.Cl B286385 c1ccc(cc1)COC2CCC(CC2)O B286390 CN(C)C(=O)C(=O)c1c[nH]c2c1c(ccc2)OCc3ccccc3 B286395 COc1cc(c(cc1OCc2ccccc2)[N+](=O)[O-])CC(=O)C(=O)O B286400 c1ccc(cc1)COc2cc(ccc2O)I B286405 COc1ccc(cc1OCc2ccccc2)C(C[N+](=O)[O-])OC B286410 COc1ccc(cc1OCc2ccccc2)CC(=O)O B286415 C[C@@H](c1ccccc1)NC(=O)Cc2ccc(c(c2)OC)OCc3ccccc3 B286425 C[C@@H](c1ccccc1)N(CCc2ccc(c(c2)OC)OCc3ccccc3)C(=O)Cc4ccc(c(c4)OCc5ccccc5)OC B286430 CN(Cc1ccccc1)CC(=O)c2ccc(c(c2)OC)OCc3ccccc3 B286440 COc1ccc(cc1OCc2ccccc2)/C=C/[N+](=O)[O-] B286450 COc1cc(ccc1OCc2ccccc2)/C=C/[N+](=O)[O-] B286460 Cc1cc(c(cc1[N+](=O)[O-])OCc2ccccc2)OC B286500 CCOC(=O)Oc1cc(ccc1OCc2ccccc2)CC(=O)NCCc3ccc(c(c3)OC)OCc4ccccc4 B286505 COc1cc(ccc1OCc2ccccc2)CCNC(=O)Cc3ccc(c(c3)O)OCc4ccccc4 B286510 COc1cc(ccc1OCc2ccccc2)O B286515 COc1ccc(cc1OCc2ccccc2)C(=O)CBr B286520 COc1cc(ccc1OCCN)OCc2ccccc2 B286530 COc1ccc(cc1OCCN)OCc2ccccc2 B286533 COc1cc(ccc1OCc2ccccc2)C(CN)O B286535 CC(=O)c1ccc(c(c1)OCc2ccccc2)OC B286545 [2H]C([2H])([2H])N1CCC(CC1)c2cn(c3c2cc(cc3)CCS(=O)(=O)NC)Cc4ccccc4 B286552 Cc1ccc(c(c1)OC)OCc2ccccc2 B286560 COc1ccc(cc1OCc2ccccc2)CC(=O)N3CCCC3 B286570 COc1cc(ccc1OCc2ccccc2)CC(=O)N3CCCC3 B286575 CCOC(=O)C(Cc1ccc(c(c1)OC)OCc2ccccc2)CC(=O)O B286585 CCOC(=O)/C(=C/c1ccc(c(c1)OC)OCc2ccccc2)/CC(=O)O B286595 CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286700 CCCCC[C@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286750 CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286760 CCCCC[C@H](CC(=O)ON1C(=O)CCC1=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2COCc3ccccc3 B286765 CS(=O)(=O)c1ncc(cn1)OCc2ccccc2 B286800 CSc1ncc(cn1)OCc2ccccc2 B286845 CSc1ncc(c(n1)O)OCc2ccccc2 B286855 CCCCCCCCCCC[C@H](CC(=O)O)OCc1ccccc1 B286875 CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccccc1 B286885 c1ccc(cc1)COc2cccc3c2cccc3 B286950 CC(=O)c1ccc(c(c1)[N+](=O)[O-])OCc2ccccc2 B287010 c1ccc(cc1)COc2ccc(c(c2)[N+](=O)[O-])N B287065 c1ccc(cc1)COc2ccc(cc2S)[N+](=O)[O-] B287125 c1ccc(cc1)COc2ccc(cc2C(=O)OCc3ccccc3)[N+](=O)[O-] B287145 c1ccc(cc1)CO[13c]2[13cH][13cH][13c]([13cH][13c]2C(=O)OCc3ccccc3)[N+](=O)[O-] B287147 c1ccc(cc1)COc2c(cccc2[N+](=O)[O-])C(=O)OCc3ccccc3 B287150 c1ccc(cc1)CO[13c]2[13c]([13cH][13cH][13cH][13c]2[N+](=O)[O-])C(=O)OCc3ccccc3 B287152 c1ccc(cc1)COc2ccc(c(c2)[N+](=O)[O-])O B287155 c1ccc(cc1)COc2ccc(cc2[N+](=O)[O-])[C@@H](CBr)O B287160 c1ccc(cc1)COc2ccc(cc2[N+](=O)[O-])C3CO3 B287200 Cc1ccc(cc1[N+](=O)[O-])OCc2ccccc2 B287250 Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)OCc4ccccc4 B287450 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)c4ccccc4)CC=C5[C@@]3(CCC(=O)O5)C B287480 c1ccc(cc1)COC(=O)N[C@H]2CN(C2=O)OCc3ccccc3 B287500 c1ccc(cc1)COC(=O)NC2CN(C2=O)OCc3ccccc3 B287505 CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)OCc3ccccc3)c4ccccc4 B287600 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1C(=O)N(N(C1=O)c2ccc(cc2)OCc3ccccc3)c4ccccc4 B287602 c1ccc(cc1)COc2ccccc2OCCN B287615 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)NC(=O)C6CCC(CC6)(F)F)C(C)C B287620 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)N)C(C)C B287625 CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccccc2OCc3ccccc3 B287630 [2H]c1c(c(c(c(c1[2H])[2H])/C=C(/C(=O)C(C)C)\C(=O)Nc2ccccc2OCc3ccccc3)[2H])[2H] B287631 CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)OCc3ccccc3 B287632 [2H]c1c(c(c(c(c1[2H])[2H])/C=C(/C(=O)C(C)C)\C(=O)Nc2ccc(cc2)OCc3ccccc3)[2H])[2H] B287633 c1ccc(cc1)COc2ccc(c(c2)/C=C/c3ccc(c(c3)C(=O)O)OCc4ccccc4)OCc5ccccc5 B287635 c1ccc(cc1)COc2ccc(cc2)/C=C/C(=O)c3c(cc(cc3OCc4ccccc4)OCc5ccccc5)O B287640 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5OCc6ccccc6 B287645 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccccc5OCc6ccccc6)[2H])[2H] B287647 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)OCc6ccccc6 B287650 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccc(cc5)OCc6ccccc6)[2H])[2H] B287652 COc1cc(ccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B287658 CC(C)C(=O)CC(=O)Nc1ccc(cc1)OCc2ccccc2 B287680 CC(c1cccc(c1)OCc2ccccc2)N(C)C B287685 [2H]C([2H])([2H])N(C(C)c1cccc(c1)OCc2ccccc2)C([2H])([2H])[2H] B287687 CC(c1cccc(c1)OCc2ccccc2)NC B287690 [2H]C([2H])([2H])NC(C)c1cccc(c1)OCc2ccccc2 B287692 CCOC(=O)N(C)C(C)c1cccc(c1)OCc2ccccc2 B287695 [2H]C([2H])([2H])N(C(C)c1cccc(c1)OCc2ccccc2)C(=O)OCC B287697 C[15N]1[13CH2][13CH](OC1=O)c2ccc(cc2)OCc3ccccc3 B287702 CCC(c1cccc(c1)OCc2ccccc2)O B287705 Cc1ccc(=O)n(c1)c2ccc(cc2)OCc3ccccc3 B287710 c1ccc(cc1)COc2ccc(cc2)C3CNC(=O)O3 B287715 c1ccc(cc1)COc2ccc(cc2)[13CH]3[13CH2][15NH]C(=O)O3 B287717 c1ccc(cc1)COc2ccc(cc2)n3ccccc3=O B287720 C[C@@H](CO)OCc1ccccc1 B287723 C[C@@H](C=O)OCc1ccccc1 B287725 c1ccc(cc1)COCCC(=O)O B287730 c1ccc(cc1)COC(CO)CO B287735 B(c1ccccc1OCc2ccccc2)(O)O B287740 c1ccc(cc1)COc2cnc(nc2)N3CCNCC3 B287750 CCC(=O)c1cccc(c1)OCc2ccccc2 B287785 C[C@@H](Cn1cnc2c1ncnc2NC(=O)c3ccccc3)OC(=O)c4ccccc4 B287975 c1ccc(cc1)COc2cc3c(cc2F)n(cc(c3=O)C(=O)OCc4ccccc4)C5CC5 B287985 C[C@@H](/C=N/NC=O)OCc1ccccc1 B288000 CN(CCO)c1ccc(cn1)OCc2ccccc2 B288100 [2H]C([2H])(C([2H])([2H])O)N(C)c1ccc(cn1)OCc2ccccc2 B288102 CN(CCOc1cccc(c1)C=O)c2ccc(cn2)OCc3ccccc3 B288150 CN(CCOc1cccc(c1)/C=C\2/C(=O)NC(=O)S2)c3ccc(cn3)OCc4ccccc4 B288155 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)OCc4ccccc4 B288160 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)CC2C(=O)NC(=O)S2)N(C)c3ccc(cn3)OCc4ccccc4 B288162 c1ccc(cc1)COc2cccc(c2)CC#N B288180 CC(C)(C=O)c1cccc(c1)OCc2ccccc2 B288200 CC(C)(C#N)c1cccc(c1)OCc2ccccc2 B288205 c1ccc(cc1)COc2ccc(cc2OS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] B288250 COC(=O)c1ccc(c(c1)OS(=O)(=O)[O-])OCc2ccccc2.[Na+] B288255 C[N+](C)(C)Cc1c[nH]c2c1c(ccc2)OCc3ccccc3.[I-] B288400 c1ccc(cc1)COc2cnc(nc2O)S B288450 CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4 B288470 c1ccc(cc1)COc2cccc3c2[nH]cc3CC(C(=O)O)N B288500 CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)OCc4ccccc4)O B288550 CC(=O)CC(c1ccccc1)c2c(c3cc(ccc3oc2=O)OCc4ccccc4)O B288560 CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)OCc4ccccc4)O B288570 c1ccc(cc1)COC(=O)c2ccc(cc2)O B288575 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])OC(=O)c2ccc(cc2)O)[2H])[2H] B288577 c1ccc(cc1)CN2CCC(CC2)(CO)Nc3ccccc3 B288580 c1ccc(cc1)CN2CC[C@H]([C@@H](C2)COc3ccc4c(c3)OCO4)c5ccc(cc5)F B288585 [2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])Oc3ccc4c(c3)OCO4)c5ccc(cc5)F)[2H] B288587 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-])[2H])[2H].[K+] B288600 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C.[K+] B288601 COCC1(CCN(CC1)Cc2ccccc2)Nc3ccccc3 B288605 [2H]C([2H])([2H])OCC1(CCN(CC1)Cc2ccccc2)Nc3ccccc3 B288607 c1ccc(cc1)CN2CCNCC2 B288610 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2ccccc2)([2H])[2H])[2H] B288612 c1ccc(cc1)CN2CCC(CC2)O B288615 [2H]C1(CC(CC(N1Cc2ccccc2)([2H])[2H])O)[2H] B288617 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O B315800 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)O)OCc4ccccc4)OCc5ccccc5 B315850 c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)OCc4ccccc4)C(=O)OCc5ccccc5 B315860 c1ccc(cc1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)CO B315870 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O B315875 c1ccc(cc1)CO[C@H]2[C@@H]([C@H](OC([C@@H]2OCc3ccccc3)O)C(=O)OCc4ccccc4)OCc5ccccc5 B315885 c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)CO B315900 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B315975 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OS(=O)(=O)C(F)(F)F B316050 [BH3-].CC[N+](CC)(CC)Cc1ccccc1 B316100 c1ccc(cc1)CNC(=O)C(F)(F)F B316135 C[N+](C)(C)Cc1ccccc1.[Cl-].ClI B316140 c1ccc(cc1)CSSSCc2ccccc2 B316150 CC(C)C(C(=O)OCc1ccccc1)NCc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7 B316175 c1ccc(cc1)Cc2c(c3ccccc3[nH]2)CCN B316300 c1ccc(cc1)S(=O)(=O)O.c1ccnc(c1)[C@H](c2ccc(cc2)Cl)OC3CCN(CC3)CCCC(=O)O B317000 [2H]C([2H])(CC(=O)O)C([2H])([2H])N1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3.c1ccc(cc1)S(=O)(=O)O B317002 CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1c3cccc(c3O2)CCCC(=O)[O-])O)O.[Na+] B318000 [2H]C([2H])([2H])C(CC#CC)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1c3cccc(c3O2)CCCC(=O)O)O)O B318002 COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5.[Cl-] B318150 COc1c2ccc(=O)oc2cc3c1cco3 B318500 c1cc(=O)oc2c1c(c3ccoc3c2)O B318510 [2H]C1(CN(CC(C1O)([2H])[2H])Cc2ccccc2)[2H] B288618 c1ccc(cc1)CN2CCC(CC2)C=O B288620 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)C=O)[2H])[2H] B288622 c1ccc(cc1)CN2CCC(=O)CC2 B288625 [2H]C1(CN(CC(C1=O)([2H])[2H])Cc2ccccc2)[2H] B288627 CN(Cc1ccccc1)CC(c2cccc(c2)O)O B288630 [2H]C([2H])([2H])N(Cc1ccccc1)CC(c2cccc(c2)O)O B288632 CN(Cc1ccccc1)CC(=O)c2cccc(c2)O.Cl B288635 c1ccc(cc1)CN2CCC[C@H]2C(=O)O B288640 c1ccc(cc1)CN2CCC[C@H]2C(=O)O.Cl B288645 CCC(=O)N1[C@H](COC1=O)Cc2ccccc2 B288650 [2H]C([2H])([2H])CC(=O)N1[C@H](COC1=O)Cc2ccccc2 B288652 c1ccc(cc1)CN2CCC[C@H](C2)O B288655 CC[C@@H]([C@H](C)OCc1ccccc1)n2c(=O)n(cn2)c3ccc(cc3)N4CCN(CC4)c5ccc(cc5)OC[C@H]6C[C@](OC6)(Cn7cncn7)c8ccc(cc8F)F B288660 [2H]c1c(c(c(c(c1n2cnn(c2=O)[C@@H](CC)[C@H](C)OCc3ccccc3)[2H])[2H])N4CCN(CC4)c5ccc(cc5)OC[C@H]6C[C@](OC6)(Cn7cncn7)c8ccc(cc8F)F)[2H] B288662 COc1cc(c(cc1OC)C(=O)O)CC(=O)CC2CCN(CC2)Cc3ccccc3 B288680 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)NC(=O)c7ccccc7)O)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)O)C)OC(=O)C B288690 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)OCc3ccccc3)[C@H](C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)O)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)c8ccccc8)O)O)[2H])[2H] B288692 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)NC(=O)c7ccccc7)O)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B288695 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)OCc3ccccc3)[C@H](C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)c8ccccc8)O)O)[2H])[2H] B288697 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5C(N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccc(cc6)OCc7ccccc7)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B288700 CCC(=O)N1[C@@H](COC1=O)Cc2ccccc2 B288705 CN(C)CCc1c[nH]c2c1c(ccc2)OCc3ccccc3 B288710 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OCc3ccccc3)C([2H])([2H])N(C)C B288712 CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)OCc3ccccc3 B288720 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OP(=O)(O)OCc3ccccc3)C([2H])([2H])N(C)C B288722 c1ccc(cc1)Cc2ccccn2 B288740 c1ccc(cc1)COC[C@@H]2C([C@@H]([C@@H](O2)O)O)O B288800 CC(C)(C)N(Cc1ccccc1)CC(=O)c2ccc(c(c2)CO)O.Cl B289000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N(Cc1ccccc1)CC(=O)c2ccc(c(c2)CO)O.Cl B289002 c1ccc(cc1)CN[C@@H](CO)C(=O)O B289300 COC(=O)[C@H](CO)NCc1ccccc1 B289305 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H](CO)N.O B289325 CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)[C@@H](CSCc1ccccc1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B289640 CC(C)(C)OC(=O)CN[C@@H](CSCc1ccccc1)C(=O)OC(C)(C)C B289650 c1ccc(cc1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O)O)O B289750 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O B291375 c1ccc(cc1)CC(CC(=O)O)C(=O)O B292000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B294000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C B294450 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OCc2ccccc2)OC(=O)C)OC(=O)C B295000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OCc2ccccc2)OC(=O)C B296000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)OC(=O)C)OC(=O)C)OC(=O)C B296125 CC1/C(=N\O)/CCN1Cc2ccccc2 B297035 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)COC(=O)c7ccccc7)OCc8ccccc8)OCc9ccccc9)OCc1ccccc1 B297810 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)CO)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B297850 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3OCc4ccccc4)COCc5ccccc5)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9)OCc1ccccc1 B298500 COc1ccccc1OCCN(Cc2ccccc2)CC(COc3cccc4c3c5c([nH]4)CCCC5)O B299000 CC(=N)SCc1ccccc1.Cl B313250 c1ccc(cc1)CNC(=S)SC[C@@H](C(=O)O)N B315000 c1ccc(cc1)CSc2cc(ccc2C(=O)O)Cl B315030 c1ccc(cc1)CSc2cc(ccc2C(=O)Cl)Cl B315035 CC(=O)c1cc(sc1SCc2ccccc2)Cl B315050 c1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)S(=O)(=O)N4CCSCC4 B315090 [2H]C([2H])(CCCC(=O)OC)C(=O)C([2H])([2H])CSCc1ccccc1 B315122 Cc1ccc(cc1)C(=O)Cc2ccccc2 B315275 CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)OCc2ccccc2)OC(=O)C)CO B315500 CC(=O)O[C@H]1[C@@H]([C@](CO[C@H]1OCc2ccccc2)(C[N+](=O)[O-])OC(=O)C)OC(=O)C B315525 COc1c(cc2c(c1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O B318650 c1c2c(c(c(c1F)N3CCCC[C@H](C3)N)Cl)n(cc(c2=O)C(=O)O)C4CC4.Cl B319000 CC[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl B323500 [2H]C([2H])([2H])C[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl B323502 CNCCc1ccccn1.Cl B324000 CNCCc1ccccn1 B324001 Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl B383005 [2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)COC(=O)[C@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl)[2H])[2H] B383007 CS(=O)(=O)O.c1ccc(cc1)c2cccc(c2)CN3CCN(CC3)c4cccc5c4oc(=O)[nH]5 B383200 CCOCCn1c2ccccc2nc1C3CCN(CC3)CCc4cccc(c4)C(C)(C)C(=O)O B385000 [2H]C([2H])([2H])C(c1cccc(c1)CCN2CCC(CC2)c3nc4ccccc4n3CCOCC)(C(=O)O)C([2H])([2H])[2H] B385002 Cc1c(c([nH]c1/C=C\2/C(=C(C(=N2)O)C)C=C)CC3C(=C(C(=N3)/C=C\4/C(=C(C(=N4)O)C=C)C)C)CCC(=O)O)CCC(=O)O B385300 Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O B386400 CC(C)(C)C(C(n1cncn1)Oc2ccc(cc2)c3ccccc3)O B386500 CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386800 c1cc2c(cc1OCCCCOc3ccc4c(c3)NC(=O)CC4)NC(=O)CC2 B426500 [2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])Oc3ccc4c(c3)NC(=O)CC4 B426502 c1c(cc(cc1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)NCC(CO)O B426600 C[C@]1([C@@](O[C@H]2[C@H](O1)[C@@H]([C@H]3[C@H](C2OC(=O)c4ccccc4)O[C@@]([C@](O3)(C)OC)(C)OC)OS(=O)(=O)C(F)(F)F)(C)OC)OC B427000 COc1c(cc(cc1)/C=C\2/C(=O)/C(=C/c3cc(c(cc3)OC)OC)/CCC2)OC B428200 COc1c(cc(cc1)/C=C/C(=O)/C=C/c2cc(c(cc2)OC)OC)OC B429000 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCC(CCCCNC(=O)OCC4c5ccccc5-c6c4cccc6)COC(c7ccccc7)(c8ccc(cc8)OC)c9ccc(cc9)OC B429600 CN(C)c1cccc2c1c(ccc2)N(C)C B429760 CN(C)c1ccccc1[N-]c2ccccc2N(C)C.[Cl-].[Ni+2] B429765 CN(C)CCC(CCN(C)C)(C#N)c1ccc(cc1)Cl B429800 [2H]C([2H])([2H])NCCc1ccccn1 B324002 C[N+](C)(C)CC=O.[Cl-] B325000 CCOC(C[N+](C)(C)C)OCC.[Cl-] B325050 CCOC(C[N+](C)(C)C)OCC.[I-] B325100 C[N+](C)(C)CC(=O)[O-].Cl B325150 [2H]C([2H])([2H])[N+](C)(C)CC(=O)[O-].Cl B325152 C[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C B326995 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H](/C4=C(\C=O)/O)C)C)O)F)C B326997 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C B327000 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)F)C B327002 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327007 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)C)O)F)C B327010 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327015 [2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327017 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O B327020 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O B327022 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C B327025 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] B327030 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)CO)O)C)C B327035 [2H]C1=C2[C@](C=CC1=O)(C34[C@@H](CC2([2H])[2H])[C@@H]5C[C@@H]([C@@]([C@]5(CC3O4)C)(C(=O)C([2H])([2H])O)O)C)C B327037 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)C B327040 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O B327045 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O B327047 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)CC)C)C)OC(=O)CC B327050 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)C([2H])([2H])C([2H])([2H])[2H])C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327052 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)C(=O)CO B327055 [2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)C(=O)CO B327057 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)CC B327060 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327062 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)CC B327063 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COCC B327065 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COS(=O)(=O)C B327070 CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327075 CC(C)NCC(COc1ccc(cc1)CCOCC2CC2)O B328000 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCOCC2CC2)O)NC(C)C B328002 C[C@H](C[N+](C)(C)C)OC(=O)N.[Cl-] B328890 C[C@@H](C[N+](C)(C)C)OC(=O)N.[Cl-] B328895 CC(C[N+](C)(C)C)OC(=O)N.[Cl-] B328900 [2H]C([2H])([2H])[N+](CC(C)OC(=O)N)(C([2H])([2H])[2H])C([2H])([2H])[2H] B328902 CN(C)C(=N)c1ccc(cc1)C(=O)Nc2ccc(cc2C(=O)Nc3ccc(cn3)Cl)OC B329500 CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O B330250 Cc1cccc(c1)OCC(CNCCc2ccc(c(c2)OC)OC)O.Cl B334500 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C B336750 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3] B336752 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(CCC2(C)C)(C)C B336757 CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl B336760 [2H]c1c(c(c(c(c1C(=O)NCCc2ccc(cc2)OC(C)(C)C(=O)O)[2H])[2H])Cl)[2H] B341000 C=CCN1CCc2c(sc(n2)N)CC1 B341002 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3Cn4cnc[n+]4C3)C(=O)[O-])[C@@H](C)O B371000 C[N+](C)(C)CCOC(Cc1ccccc1)c2ccccc2.[Br-] B372800 [2H]C([2H])([2H])[N+](CCOC(Cc1ccccc1)c2ccccc2)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-] B373500 CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B373502 [2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382000 C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382002 [2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382005 C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382007 [2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C[C@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382010 CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B382012 [2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[2H] B382015 C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@](C)(CS(=O)(=O)c3ccc(cc3)F)C(=O)Nc4ccc(c(c4)C(F)(F)F)C#N B382017 C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@](C)(CS(=O)(=O)c3ccc(cc3)F)C(=O)Nc4ccc(c(c4)C(F)(F)F)C#N B382020 CC(CSc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382040 CC(CS(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382045 CC(C)OC(=O)NNC(=O)OC(C)C B382150 Cc1ccc(cc1)[C@@]23C[C@@H]2CNC3.Cl B382240 Cc1ccc(cc1)[C@]23C[C@H]2CNC3.Cl B382245 Cc1ccc(cc1)C23CC2CNC3.Cl B382250 [2H]C1(C2(C1(CNC2([2H])[2H])c3ccc(cc3)C)[2H])[2H].Cl B382252 CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 B382500 C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C.[I-] B382505 C1CC2C=CC1C=C2C(=O)O B382850 COC(=O)c1cc(ccc1[N+](=O)[O-])Oc2ccc(cc2Cl)Cl B382900 Cc1c(cccc1c2ccccc2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl B383000 [2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl)[2H])[2H] B383002 [2H]C([2H])([2H])C([2H])([2H])NC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386802 CCNC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386810 CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCc2ccccc2)O)O)O B386815 c1ccc(cc1)P(c2ccccc2)c3ccc4ccccc4c3c5c6ccccc6ccc5P(c7ccccc7)c8ccccc8 B386850 c1ccc(cc1)P(c2ccccc2)c3ccc4ccccc4c3c5c6ccccc6ccc5P(c7ccccc7)c8ccccc8 B386851 c1cc(cc2c1cc(cc2)C(=O)O)c3ccc4cc(ccc4c3)C(=O)O B386900 c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OP(=O)(O3)O B387000 c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OP(=O)(O3)O B387005 c1cc(ncc1C(=O)O)c2ccc(cn2)C(=O)O B387150 COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O B387250 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 B388100 COS(=O)(=S)CCNC(=O)C(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)N B388500 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O B388585 C1C[C@@H](NC1)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O B388775 C[C@@H]([C@@H](c1cnc2c(n1)c(nc(n2)N)O)O)O B389020 [2H]C([2H])([2H])[C@@H]([C@@H](c1cnc2c(n1)c(nc(n2)N)O)O)O B389022 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 B389040 [2H]C([2H])(C[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])CC(=O)O B389042 c1cc(ccc1C(=O)[O-])NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3.[Na+] B389060 C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B389125 CC1(C(CC=[N+]1[O-])COC(=O)CCSSCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C B389750 CS(=O)(=O)SCC(C(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B390250 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCNC(=O)[C@H](CCCNC(=S)N)N)NC(=O)N2 B390300 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCN)NC(=O)N2 B390340 CNC(=O)CCCCC1C2C(CS1)NC(=O)N2 B390375 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCBr)NC(=O)N2 B390475 C1[C@H]2[C@@H]([C@@H](S1)CCCC(C(=O)O)C(=O)O)NC(=O)N2 B390600 C1[C@H]2[C@@H]([C@@H](S1)CCCC(CCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O)NC(=O)N2 B390650 c1cc2c(cc1C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)OC25c6ccc(cc6Oc7c5ccc(c7)O)O B390700 c1ccnc(c1)SSCCC(=O)NCCCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B390750 COc1c(ncc(n1)CCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NS(=O)(=O)c4ccc(cc4)NC(=O)/C=C/c5ccc(s5)[N+](=O)[O-] B390950 c1cc(ccc1CC(=O)ON2C(=O)CCC2=O)OC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B391025 C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)NC(=O)N2 B391400 c1ccnc(c1)SSCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B391500 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392690 [2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392692 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392700 [2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392702 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392710 [2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392712 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCCCC(=O)O)NC(=O)N2 B393875 C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCCCCCCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B393925 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCCC(=O)O)C(=O)NCCCC(=O)O)NC(=O)N2 B394200 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCC(=O)O)C(=O)NCC(=O)O)NC(=O)N2 B394210 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCC(=O)O)C(=O)NCCC(=O)O)NC(=O)N2 B394220 CC1(O[C@@H]2[C@@H]3OCC(O3)[C@H](C2O1)OCC(CO[C@H]4C5CO[C@@H](O5)[C@H]6C4OC(O6)(C)C)NC(=O)c7cccc(c7)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)O)NC(=O)CCSSCCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)C B394240 c1cc(cc(c1)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)O)NC(=O)CCSSCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)NC(CO[C@H]4[C@@H](C([C@H](OC4CO)O)O)O)CO[C@H]5[C@@H](C([C@H](OC5CO)O)O)O B394245 c1cc(ccc1CCC(=O)O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B394280 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)O)NC(=O)N2 B394325 CS(=O)(=O)SCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B394750 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCO)NC(=O)N2 B394855 c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O B394857 COC(=O)c1ccc(cc1OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C4(N=N4)C(F)(F)F B394858 CC1(O[C@H]2[C@@H](C3COC(C2O1)O3)OCC(COC4[C@@H]5C(C6OCC4O6)OC(O5)(C)C)NC(=O)c7ccc(cc7OCCOCCOCCNC(=O)CCCCCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)C1(N=N1)C(F)(F)F)C B394860 c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)ON5C(=O)CCC5=O B394866 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCOP(=O)O)NC(=O)N2 B394870 c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NN B394875 CC(C)OP(=O)OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B394885 CC(C)OP(=O)(OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)F B394900 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OP(=O)(OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)F B394902 Cc1cc(=O)oc2c1ccc(c2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B394925 CN1CCC([C@@H]1c2cccnc2)CNC(=O)CCCCC3[C@@H]4[C@H](CS3)NC(=O)N4 B394935 c1cc(cc2c1cc(cc2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O B394940 c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[As](O)O B394970 CCSC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395000 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCBr)NC(=O)N2 B395050 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCO)NC(=O)N2 B395060 CS(=O)(=O)SCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395075 CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395300 CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)NCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 B395450 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 B395670 CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395715 C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B395718 CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395725 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 B395730 c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NC(CO[C@@H]5[C@H](OC([C@H]([C@H]5O)O)O)CO)CO[C@@H]6[C@H](OC([C@H]([C@H]6O)O)O)CO B395740 CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395750 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCN)NC(=O)N2.Cl B395800 [2H]C([2H])(CN)SSC([2H])([2H])CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395802 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)[C@H](CS)N)NC(=O)N2.C(=O)(C(F)(F)F)O B395826 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCN)NC(=O)N2 B395885 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC(=O)O)NC(=O)N2 B395940 C1C2C([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)CI)NC(=O)N2 B396025 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN3C(=O)C=CC3=O)NC(=O)N2 B396250 c1cc(ccc1C(c2cc(ccc2O)O)NC(=O)[C@@H](CC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)OCC(=O)NCC(=O)ON6C(=O)CC(C6=O)S(=O)(=O)[O-].[Na+].[Na+] B396500 CS(=O)(=O)SCCNC(=O)CCOCNC(=O)CCCC[C@H]1C2C(CS1)NC(=O)N2 B396950 CS(=O)(=O)SCCNC(=O)CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B397000 c1ccnc(c1)SSC[C@@H](C(=O)ON2C(=O)CCC2=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B397300 C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B397750 CCCCCCCCCCCCC/C=C/[C@H](C(CO)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O B397800 CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)(O)O)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O B397810 c1ccc(cc1)C(CCN2CCCCC2)(C3C[C@H]4C[C@@H]3C=C4)O.Cl B397825 c1ccc(c(c1)c2ccc(cc2)COC(=O)c3ccc(cc3)c4ccccc4c5n[nH]nn5)c6n[nH]nn6 B398000 c1ccc(cc1)c2ccccc2c3[nH]nnn3 B398200 CC(c1ccc(cc1)c2ccccc2)C(=O)O B399050 c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N B399200 C1CCN(CC1)C2(CCNCC2)C(=O)N B399400 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2(CCNCC2)C(=O)N)([2H])[2H])([2H])[2H])[2H] B399402 c1cc([nH]c1)c2ccc[nH]2 B399600 CC1=CC[C@H](CC1)[C@@]2(CCC(O2)C(C)(C)O)C B399800 CC(=O)NCCN(C)c1ccc2c(c1)OC3C=C(C=CC3C24c5ccccc5C(=O)O4)N(C)CCNC(=O)C B400000 CC(=O)OCC1COC(CO1)COC(=O)C B400150 CC(=O)Nc1nnc(s1)S(=O)(=O)NS(=O)(=O)c2nnc(s2)NC(=O)C B400160 CC(=O)OCCOCn1cnc2c1nc(nc2Cl)N(CN(C=O)c3nc4c(c(n3)Cl)ncn4COCCOC(=O)C)C=O B400165 CC(=O)OCC(COC(=O)C)NC(=O)c1c(c(c(c(c1I)N)I)C(=O)NC(COC(=O)C)COC(=O)C)I B400190 CC(=O)SCCS(=O)(=O)CCSC(=O)C B400275 CC(=O)NC(CCc1ccc(cc1Cl)Br)(COC(=O)C)COC(=O)C B400550 Cc1c(ncc(c1OC)COC(=O)C)COC(=O)C B400570 CCCCCCCCc1ccc(cc1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C B400600 CC(=O)Oc1ccc(cc1OC(=O)C)/C=C/C(=O)O B400650 CC(=O)Oc1ccc(cc1)C(c2ccc(cc2)OC(=O)C)c3ccccn3 B400800 [2H]c1c(c(nc(c1[2H])C([2H])(c2c(c(c(c(c2[2H])[2H])OC(=O)C)[2H])[2H])c3c(c(c(c(c3[2H])[2H])OC(=O)C)[2H])[2H])[2H])[2H] B400802 COc1c(cc(cc1)c2cc(c(cc2)OC)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C67C[C@H]8C[C@@H](C6)C[C@@H](C7)C8 B400900 C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C B401000 C=CCOC(=O)Nc1ccc2c(c1)[nH]c3cc(ccc3c2=O)NC(=O)OCC=C B401060 C=CCOC(=O)Nc1ccc2c(c1)nc3cc(ccc3c2NCCNC(=O)CCCC[C@H]4C5C(CS4)NC(=O)N5)NC(=O)OCC=C B401080 C=CCOC(=O)Nc1ccc2c(c1)nc3cc(ccc3c2Cl)NC(=O)OCC=C B401120 c1cc(ccc1C(=N)N)OCCC(CCOc2ccc(cc2)C(=N)N)O B401400 c1cc(ccc1C(=N)N)OCCC(CCOc2ccc(cc2)C(=N)N)O B401405 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N B401500 C(CSC[C@@H](C(=O)O)N)[C@H]1C(=O)N[C@H](C(=O)N1)CCSC[C@@H](C(=O)O)N B401780 c1ccc(cc1)COc2c3c(nc(n2)NCNc4nc5c(c(n4)OCc6ccccc6)ncn5COCCO)n(cn3)COCCO B401800 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)COCCN)COCCN B402100 C(COCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O B403000 C(COCCOCCOCCOCCOCCOCCOCCN)N B403250 c1cc(oc1CN)CN B404200 C1CC(OC1CN)CN B404300 c1cc2c(ccc(c2cc1)/N=N\c3cc(c(cc3)C=Cc4c(cc(cc4)/N=N\c5c6c(c(cc5)N)cccc6)S(=O)(=O)O)S(=O)(=O)O)N B404800 c1ccc(c(c1)N)OCCOc2ccccc2N B405500 C(CN)CNCCSSCCNCCCN B405800 CC1(O[C@@H]2[C@@H](O1)C(C3CO[C@H]2O3)OCC(COC4[C@@H]5[C@@H]([C@@H]6OCC4O6)OC(O5)(C)C)N)C B406025 C1CN1CC(=O)C(=O)CN2CC2 B407500 [2H]C1(C(N1CC(=O)C(=O)CN2C(C2([2H])[2H])([2H])[2H])([2H])[2H])[2H] B407502 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5 B408500 [2H]C1(C(N(C(C(N1C(c2ccccc2)c3ccccc3)([2H])[2H])([2H])[2H])C(c4ccccc4)c5ccccc5)([2H])[2H])[2H] B408502 c1c(cc2c(c1)OCO2)/C=C/C(=O)/C=C/c3cc4c(cc3)OCO4 B410500 c1ccc(cc1)C(=O)OC[C@@H]2CC(C2COC(=O)c3ccccc3)O B410700 c1ccc(cc1)C(=O)OC[C@@H]2CC(=O)C2COC(=O)c3ccccc3 B410710 COc1cc(c(cc1OCc2ccccc2)OCc3ccccc3)C(=O)C(Cc4ccccc4)Cc5ccccc5 B410820 c1ccc(cc1)CO[C@H]2[C@@H]([C@@H]([C@H]([C@H]([C@@H]2O)O)OCc3ccccc3)O)O B410830 c1ccc(cc1)COc2ccc(cc2)c3cc(=O)c4c(o3)cc(cc4OCc5ccccc5)OCc6ccccc6 B410840 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3OCc4ccccc4)OCc5ccccc5)oc2c6ccc(cc6)OCc7ccccc7)OCc8ccccc8)OC(=O)C)OC(=O)C B410860 CC(=O)C[C@@H]1[C@H](CCCN1C(=O)OCc2ccccc2)OC(=O)OCc3ccccc3 B410880 c1ccc(cc1)COc2ccc(cc2)c3c(c(=O)c4c(o3)cc(cc4OCc5ccccc5)OCc6ccccc6)O B410890 c1ccc(cc1)COC(=O)N2CCC[C@H]([C@@H]2CC(=O)Cn3cnc4cc(c(cc4c3=O)Cl)Br)OC(=O)OCc5ccccc5 B410895 c1ccc(cc1)COC(=O)N[C@@H](CCCC(=O)NC(=O)OCc2ccccc2)C(=O)O B410900 c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCc2ccccc2 B410905 c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)OCc2ccc(cc2)[N+](=O)[O-])NC(=O)OCc3ccccc3 B410910 CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2OCc3ccccc3)NCNc4nc5c(c(n4)OCc6ccccc6)ncn5COCCOC(=O)[C@H](C(C)C)NC(=O)OCc7ccccc7)NC(=O)OCc8ccccc8 B410925 c1ccc(cc1)COc2ccc(cc2SSc3cc(ccc3OCc4ccccc4)[N+](=O)[O-])[N+](=O)[O-] B410950 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C(CO)O B411000 [2H]c1c(c(c(c(c1C(C([2H])([2H])O)O)[2H])OCc2ccccc2)OCc3ccccc3)[2H] B411002 c1ccc(cc1)COCCCCCCC(=O)CCCCCCOCc2ccccc2 B411120 C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)NC(=O)N2 B412500 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC(C(=O)c2ccc(cc2)F)O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F B412850 CN(C)[C@H](c1ccccc1)C2=C(C=CC2)P(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.CN(C)[C@@H](c1ccccc1)C2=CCC=C2P(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.[Fe] B412950 CC(C)(C)OC(=O)N(CSS(=O)(=O)C)C(=O)OC(C)(C)C B413250 CC(C)(C)OC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C B414100 CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)C=O B414120 CC(C)(C)OC(=O)[15NH]/[13C](=[15N]/C(=O)OC(C)(C)C)/n1cccn1 B414127 CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CS(=O)C B414130 CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CSC B414140 [2H]C1(C(N(C(C(N1C(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B414157 CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CS B414175 c1cc(c(cc1C#N)Br)OCCCOc2ccc(cc2Br)C#N B414990 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1Br)C#N)C([2H])([2H])Oc2ccc(cc2Br)C#N B414992 c1ccc2c(c1)c(c3ccccc3c2CBr)CBr B415000 CC1(C(=C(C(N1[O])(C)C)CBr)CBr)C B415070 CC(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)C B415110 CC(C)(C)OC(=O)n1cccc1C#Cc2ccc3ccc(nc3n2)C#Cc4cccn4C(=O)OC(C)(C)C B415130 CC(C)(C)OC(=O)CN(CCCCCCNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B415200 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C B415210 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)O B415230 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](C[C@@H]([C@H]4[C@@H]3CC=C2C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C B415235 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC B415260 [2H][13C](=CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC)C)\C)[2H] B415262 [2H]C1(C(C1(C#CC2(c3cc(cc(c3NC(=O)O2)O[Si](C)(C)C(C)(C)C)Cl)C(F)(F)F)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B415277 CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B415280 CC(C)(C)[Si](C)(C)NN[Si](C)(C)C(C)(C)C B415375 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B415425 CCC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415655 CC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415675 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415700 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CC[C@H](C)[C@@H]([C@@H](C)C(=O)CC(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O B415725 Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H](C([C@H](C(=O)C([C@H](CC(=O)O2)O[Si](C)(C)C(C)(C)C)(C)C)C)O[Si](C)(C)C(C)(C)C)C)/C B415780 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](C(=C)C(=O)C1)O[Si](C)(C)C(C)(C)C B415785 CC1=C(C[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F B415795 C[C@]12[C@H](O1)C[C@H](C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415805 C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B415820 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CC(C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccccc2)O[Si](C)(C)C(C)(C)C B415850 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415890 CC(C)(C)[Si](C)(C)Oc1cccc(c1)[C@H](CNC)O[Si](C)(C)C(C)(C)C B416075 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B416100 C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B416105 [2H]C([2H])([2H])[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B416107 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)On3c4c(cccn4)nn3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B416115 CC(C)(C)OC(=O)N(c1c(cccc1[N+](=O)[O-])C(=O)OC)C(=O)OC(C)(C)C B416135 C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)O)OC6CCCCO6 B416155 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OC6CCCCO6 B416160 C[C@]12CC[C@@H]3c4ccc(cc4C(=C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OCCCCCCCCCSCCCC(C(F)(F)F)(F)F)OC6CCCCO6 B416170 c1ccc2c(c1)c3c([nH]2)cccc3OCC(COc4cccc5c4c6ccccc6[nH]5)O B416500 c1ccc(c(c1)C(=O)NNC(=O)c2ccccc2C(=O)O)C(=O)O B416800 CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O B416810 c1ccc(c(c1)CC(=O)NNC(=O)Cc2ccccc2C(=O)O)C(=O)O B416820 c1cc(c(cc1C(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O)C2=C3C=C(C(=O)C=C3OC4C2C=C(C(=C4)O)Cl)Cl)C(=O)O B417200 C1CC[C@@H]([C@H](C1)NC(=O)CCl)NC(=O)CCl B418325 CN(CCNC(=O)CCl)c1ccc2c(c1)OC3C=C(C=CC3C24c5ccccc5C(=O)O4)N(C)CCNC(=O)CCl B418500 C(CNC(=O)CCl)NC(=O)CCl B418600 c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)NC(=O)Nc3ccc(cc3C(=O)c4ccccc4Cl)[N+](=O)[O-])[N+](=O)[O-])Cl B418620 c1cc(ccc1OCCCl)OCCCl B418650 c1c(c(cc(c1Br)OCCCl)Br)OCCCl B418675 C#Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OCCCl)OCCCl.Cl B418700 C(CCl)NCCCl.Cl B418800 [2H]C([2H])(CNCC([2H])([2H])Cl)Cl.Cl B418802 C(CCl)N(CCCl)P(=O)(Cl)Cl B418810 c1ccc(cc1)S(=O)(=O)N(CCCl)CCCl B418910 C(CNP(=O)(NCCCO)N(CCCl)CCCl)CO B418930 C(CCl)[C@H]1C(=O)N[C@H](C(=O)N1)CCCl B418950 CN(CCCl)CCCl.Cl B418990 [2H]C([2H])(CN(C)CC([2H])([2H])Cl)Cl.Cl B418992 Cc1ccc(cc1)S(=O)(=O)N(CCCl)CCCl B419010 CC(CCl)OC(C)CCl B419020 C(OCCl)Cl B419040 CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Sc1ccc(cc1)Cl)Sc2ccc(cc2)Cl)OC(C)C B419075 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)OC(C)(C)C)OP(=O)(OCCC#N)OCCC#N B419852 CC(C)N(C(C)C)P(OCCC#N)OCCC#N B420000 C(CCCNC(=N)NC#N)CCNC(=N)NC#N B422650 c1cc(ccc1C#N)C(c2ccc(cc2)C#N)O B422850 C1CCC2(CC1)OC3C(C4C(C(C3O2)O)OC5(O4)CCCCC5)O B423250 C1CCC2(CC1)O[C@@H]3[C@@H]([C@@H]4[C@H]([C@H]([C@H]3O2)O)OC5(O4)CCCCC5)O B423255 C1CCC2(CC1)O[C@@H]3[C@H]([C@@H]4[C@H]([C@@H]([C@H]3O2)O)OC5(O4)CCCCC5)O B423260 C(COCCSC[C@@H](C(=O)O)N)OCCSC[C@@H](C(=O)O)N B425500 COc1cccc(c1)[C@@]2(CCCC[C@H]2CN)O B426100 COc1cccc(c1)[C@]2(CCCC[C@@H]2CN)O B426110 COc1cccc(c1)[C@]2(CCCC[C@@H]2CN)O.Cl B426130 Cc1cc(c(cc1N)N)Cc2cc(c(cc2N)N)C B426145 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SSN(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B426162 C(C(CCl)OC(CCl)CCl)Cl B426200 c1c(c(cc(c1OC(=O)Oc2cc(c(cc2Cl)Cl)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-] B426210 c1cc(c(cc1Cl)Cl)OP(=O)(Oc2ccc(cc2Cl)Cl)Cl B426215 C(C(CCl)Cl)OCC(CCl)Cl B426220 CCN(CC)CCOc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OCCN(CC)CC)C(=O)c4ccccc4 B426250 CCN(CC)Cc1cc(cc(c1O)CN(CC)CC)NC(=O)C B426270 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OC(F)F)OC(F)F B426280 CC(CC(C)(c1ccc(cc1F)F)O)(c2ccc(cc2F)F)O B426300 CCOC(=O)C=C1C[C@H](C[C@@H](C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B429805 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCP(=O)(c2ccccc2)c3ccccc3)C1)O[Si](C)(C)C(C)(C)C B429810 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(C1)(C(=O)OC)O)O[Si](C)(C)C(C)(C)C B429815 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(C1)(CO)O)O[Si](C)(C)C(C)(C)C B429820 CC([Si](O[C@H]1[C@@H]([C@@H](C[C@@](C1)(O)C(=O)OC)O[Si](C(C)(C)C)(C)C)O)(C)C)(C)C B429825 CC([Si](O[C@H]1[C@@H]([C@@H](C[C@@](C1)(O)C(=O)OC)O[Si](C(C)(C)C)(C)C)OC(=S)n2cncc2)(C)C)(C)C B429830 CC(C)(C)C(=O)O[C@H]([C@H](C(=O)OC)OC(=O)C(C)(C)C)C(=O)O B429850 C[C@]1(CC[C@H](C=C1)C(C)(C)OC(=O)C(c2ccccc2)c3ccccc3)OC(=O)C(c4ccccc4)c5ccccc5 B430340 c1ccc(cc1)P(c2ccccc2)C3=CCC=C3.c1ccc(cc1)P(c2ccccc2)C3=CCC=C3.[Fe] B430350 [B-](F)(F)(F)F.C/C/1=C/CC/C=C(\CC1)/C.CP1([C@@H](CC[C@@H]1c2ccccc2)c3ccccc3)CCP4([C@@H](CC[C@@H]4c5ccccc5)c6ccccc6)C.[Rh] B430450 C1CSC(SC1)CC2SCCCS2 B431750 [2H]C1(SCCCS1)CC2SCCCS2 B431751 [2H]C1(SCCCS1)CC2(SCCCS2)[2H] B431752 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)O)[As]5SCCS5)(C)C)CCCCS(=O)(=O)[O-])[As]6SCCS6)C B431900 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)O)[As]5SCCS5)(C)C)CCCCS(=O)(=O)[O-])[As]6SCCS6)C B431910 c1ccc2c(c1)C(=O)NNC(=O)c3ccccc3SSc4ccccc4C(=O)NNC(=O)c5ccccc5SS2 B432175 CCOC(=O)Nc1ccc2c3ccc(cc3[n+](c(c2c1)c4ccccc4)CCCBr)NC(=O)OCC.[Br-] B433500 CCOC(=O)Nc1ccc2c3ccc(cc3[n+](c(c2c1)c4ccccc4)CCCSS(=O)(=O)C)NC(=O)OCC.[Br-] B433505 CCOC(=O)C(C)NCCCC[C@@H](C(=O)OC)NC(C)C(=O)OCC B433590 [2H]C([2H])(C[C@@H](C(=O)OC)NC(C)C(=O)OCC)C([2H])([2H])CNC(C)C(=O)OCC B433592 CCN(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)NC(=O)OCC)NC(=O)OCC.[Cl-] B433600 CCOCOc1ccc(cc1OCOCC)C=O B433670 CCOCOc1ccc(cc1OCOCC)/C=C/C(=O)c2c(cc(cc2OCOCC)OCOCC)O B433690 CCOCOc1ccc(cc1OCOCC)C2C(O2)C(=O)c3c(cc(cc3OCOCC)OCOCC)OCOCC B433700 CCOCOc1ccc(cc1OCOCC)/C=C/C(=O)c2c(cc(cc2OCOCC)OCOCC)OCOCC B433710 [2H]C([2H])([C@]12CCC3(C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC56OCCO6)C)OCCO3)O B433802 [13CH3]C([13CH3])(c1ccc(cc1)O)c2ccc(cc2)O B519496 [2H]C([2H])([2H])C(c1ccc(cc1)O)(c2ccc(cc2)O)C([2H])([2H])[2H] B519497 CC(C)([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)[13c]2[13cH][13cH][13c]([13cH][13cH]2)O B519498 CC(C)(c1ccc(cc1)OCC2CO2)c3ccc(cc3)OCC4CO4 B519500 [2H]C([2H])([2H])C(c1ccc(cc1)OCC2CO2)(c3ccc(cc3)OCC4CO4)C([2H])([2H])[2H] B519502 CC(C)(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)c6ccc(cc6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(=O)c1ccccc1 B519505 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC B433850 [2H]c1c(c(c(c(c1[2H])C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)[2H])[2H] B433852 CS(=O)(=O)SCCN(CCSS(=O)(=O)C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B433900 CCSC(C=O)SCC B434000 CCSCSCC B434750 C1CO[C@H]2[C@@H]1C(CO2)O B436000 C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C B438500 C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C B438501 C(CCCNC(=N)N)CCNC(=N)N.OS(=O)(=O)O B439400 c1c(nc(s1)NC(=N)N)CSSCc2csc(n2)NC(=N)N B439800 c1cc(ccc1C(=O)c2ccc(cc2)O)O B443800 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CC[N+](CC4)(CCOCCO)CCOCCO.[Cl-] B443830 C(CO)[C@H]1C(=O)N[C@H](C(=O)N1)CCO B443850 CN(CCO)CCO B443900 c1c(nc(c(n1)CCO)CCC(=O)O)CCO B444100 C([C@H]1[C@H]([C@@H]([C@@H](N1)CO)O)O)O B445000 C1C(OCC(O1)CO)CO B445300 C1C(OC(CO1)CO)CO B445305 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NC(=O)OCc2ccccc2 B445700 C1CC(OC1CO)CO B446375 CC(=O)OCC1CCC(O1)COC(=O)C B446378 CC1([C@@H]([C@H](C(N1O)(C)C)CO)CO)C B446650 c1cc(c(cc1[N+](=O)[O-])SSc2cc(ccc2[O-])[N+](=O)[O-])[O-].[Na+].[Na+] B446750 c1ccc(cc1)C(=O)C(c2ccccc2)(c3ccc(cc3)O)c4ccc(cc4)O B447265 c1ccc(cc1)C(CO)N2CC(=O)N(CC2=O)C(CO)c3ccccc3 B447275 CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccccc3 B447320 c1cc(ccc1C2CNC(CN2)c3ccc(cc3)O)O B447350 [2H]C1(C(NC(C(N1)c2ccc(cc2)O)([2H])[2H])c3ccc(cc3)O)[2H] B447352 c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O B447400 [2H]c1c(c(c(c(c1C(c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])C(Cl)(Cl)Cl)[2H])[2H])O)[2H] B447402 CCOC(=O)c1ccc(cc1)N(CC(C)O)CC(C)O B447500 [2H]c1c(c(c(c(c1C(=O)OCC)[2H])[2H])N(CC(C)O)CC(C)O)[2H] B447502 Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN B448500 Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n6c4CC(CC6)CN(C)C.Cl B448530 CC1(C(=C(C(N1[O])(C)C)CI)CI)C B448740 C1C(OCC(O1)CI)CI B448750 CC1([C@@H]([C@H](C(N1O)(C)C)CI)CI)C B448850 CC1(O[C@@H]2[C@H](O1)[C@H]([C@@H]3[C@@H]([C@H]2OCc4ccccc4)OC(O3)(C)C)OCc5ccccc5)C B451400 CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O)C(=O)OC)C(C)C.c1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O B451420 CC(C)c1ccc(cc1C(C)C)OP(=O)(Oc2ccccc2)Oc3ccccc3 B451425 CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)C(C)C B451430 CC(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3cc(cc(c3)C(C)C)C(C)C B451435 CC(C)N(C/C=C/c1ccccc1)C(C)C B451440 CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)C B451445 C(CN=C=S)COCCOCCOCCCN=C=S B451500 C(NC(=O)/C=C\C(=O)O)COCCOCCNC(=O)/C=C\C(=O)O B455000 C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O B475000 C1=CC(=O)N(C1=O)CCCCCCN2C(=O)C=CC2=O B475200 C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O B475500 C1=CC(=O)N(C1=O)CCOCCN2C(=O)C=CC2=O B476250 C1=CC(=O)N(C1=O)CCOCCOCCOCCN2C(=O)C=CC2=O B476500 C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O B477050 Cc1c(c(=O)cco1)O[V](=O)Oc2c(occc2=O)C B477375 C1CC[C@@H]([C@H](C1)NC(=O)CS)NC(=O)CS B478500 C1CC[C@H]2[C@H](C1)NC(=O)CSSCC(=O)N2 B481450 c1ccc(c(c1)C(=O)NNC(=O)c2ccccc2S)S B481460 C(CS(=O)(=O)CCS)S B481825 C1CS(=O)(=O)CCSS1 B482500 CS(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C B482530 CS(=O)(=O)SCCN1CCN(CC1)CCSS(=O)(=O)C B485600 C[N+](C)(CCSS(=O)(=O)C)CCSS(=O)(=O)[CH2].[Cl-] B485850 CN(CCSS(=O)(=O)C)CCSS(=O)(=O)C B485880 CC1(C(=C(C(N1O)(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B485910 CC1([C@H]([C@@H](C(N1[O])(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B485940 CN1CCN(CC1)C2=Nc3ccccc3N=C(C2)N4CCN(CC4)C B485980 CNS(=O)(=O)CCc1ccc2c(c1)c(cn2CCS(=O)(=O)NC)c3cc[n+](cc3)C.[Cl-] B486100 CC1([C@@H]([C@H](C(N1O)(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B486250 COc1ccc(cc1)Cn2cc(c(=O)n(c2=O)Cc3ccc(cc3)OC)F B486700 COc1cccc(c1)C[C@@H]2COC(=O)[C@H]2Cc3cccc(c3)OC B487420 COCCc1ccc(cc1)OCC(COc2ccc(cc2)CCOC)O B487500 COCOc1ccc2ccccc2c1c3c4ccccc4ccc3OCOC B488500 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC B488750 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)C(=O)c4ccccc4 B489840 CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)O B489900 CCNc1ccn(c(=O)n1)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O B489910 COc1ccc(cc1)/C=C/C(=O)/C=C/c2ccc(cc2)OC B490000 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCSCCO B490040 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCS(=O)(=O)CCO B490050 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)C(F)(F)F B490080 CN[C@@H]1CCCC[C@@H]1NC B494800 c1cc2c(cc1/C=C/C(=O)c3ccc4c(c3)OCO4)OCO2 B495000 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CCC24C5(COCO5)OCO4)CCC6=CC(=O)C=C[C@]36C B495070 CCCc1cc2c(cc1Cc3ccc4c(c3CCC)OCO4)OCO2 B495090 CC(C)CCCCCCN(CCCCCCC(C)C)S(=O)(=O)C(F)(F)F B496000 CNS(=O)(=O)CC(c1ccc2c(c1)c(c[nH]2)C3CCN(CC3)C)c4ccc5c(c4)c(c[nH]5)C6CCN(CC6)C B496500 CSC(=C[N+](=O)[O-])SC B497200 C=C1CC[C@]2([C@H]3Cc4cc(c(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)c7cc8c9c(c7O)O[C@@H]1[C@]92CCN(C(C8)[C@@]2(CCC1=C)O)CC1CC1)O B504000 c1cc(ccc1COP(=O)(O)OCc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B504070 c1c2c3c(c(c1c4cc5c6c(c4O)O[C@@H]7[C@]68CCN(C(C5)[C@@]8(CCC7=O)O)CC9CC9)O)O[C@@H]1[C@]33CCN([C@H](C2)[C@@]3(CCC1=O)O)CC1CC1 B504500 B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C B504800 c1cc(ccc1COP(=O)(OCc2ccc(cc2)[N+](=O)[O-])Cl)[N+](=O)[O-] B505000 c1ccc(c(c1)[N+](=O)[O-])OCCOc2ccccc2[N+](=O)[O-] B505050 c1cc(ccc1Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B506115 CC(C)N(C(C)C)P(OC(C)c1ccccc1[N+](=O)[O-])OC(C)c2ccccc2[N+](=O)[O-] B506150 c1ccc(c(c1)N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] B506250 c1ccc(cc1)N(c2ccccc2[N+](=O)[O-])c3ccccc3[N+](=O)[O-] B506275 c1ccc(cc1)N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-] B506280 c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] B507600 c1cc(ccc1NC(=O)Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B508500 [2H]c1c(c(c(c(c1NC(=O)Nc2c(c(c(c(c2[2H])[2H])[N+](=O)[O-])[2H])[2H])[2H])[2H])[N+](=O)[O-])[2H] B508502 CCOC(=O)[C@]1(CCC=C[C@H]1N)c2ccccc2 B508850 CC(C)NCC(COc1ccc(cc1)COCCOC(C)C)O.C(=C/C(=O)O)\C(=O)O B510500 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)COCCOC(C)C)O)NC(C)C B510502 CS(=O)(=O)SCCNC(=O)CN1CCN(CCN(CCN(CC1)Cc2cccc[n+]2[O-])CC(=O)NCCSS(=O)(=O)C)Cc3cccc[n+]3[O-] B512500 c1cc[n+](c(c1)CN2CCN(CCN(CCN(CC2)CC(=O)O)Cc3cccc[n+]3[O-])CC(=O)O)[O-] B512560 CCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCC B515200 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC B515202 CCCCCCCCCCCCCC[13CH2][13C](=O)OC[13CH](CCl)O[13C](=O)[13CH2]CCCCCCCCCCCCCC B515203 C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516280 C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516300 C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516320 CC(C)(c1ccc(cc1)O)c2ccc(cc2)O B519495 CC(C)(c1ccc(cc1)O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B519510 [2H]C([2H])([2H])C(c1ccc(cc1)O)(c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C([2H])([2H])[2H] B519512 CC(C)(c1ccc(cc1)OS(=O)(=O)[O-])c2ccc(cc2)OS(=O)(=O)[O-].[Na+].[Na+] B519515 [2H]C([2H])([2H])C(c1ccc(cc1)OS(=O)(=O)[O-])(c2ccc(cc2)OS(=O)(=O)[O-])C([2H])([2H])[2H].[Na+].[Na+] B519517 CC(C)(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B519520 CC(C)(c1ccc(cc1)OCC(CO)O)c2ccc(cc2)OCC(CO)O B519525 CC(C)(c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(cc4)OP(=O)(Oc5ccccc5)Oc6ccccc6 B519530 CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCc3ccccc3 B519535 c1cc(ccc1Cc2ccc(cc2)OCC3CO3)OCC4CO4 B519540 c1cc(ccc1Cc2ccc(cc2)OCC(CO)Cl)OCC(CO)Cl B519545 c1cc(ccc1Cc2ccc(cc2)OCC(CO)O)OCC(CO)O B519550 c1cc(ccc1Cc2ccc(cc2)O)O B519555 [2H]c1c(c(c(c(c1C([2H])([2H])c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])[2H])[2H])O)[2H] B519557 CC1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C B519570 c1ccc(cc1)COc2cc(cc(c2)OCc3ccccc3)C4CO4 B521400 CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@H](C(=O)N4[C@@H](COC4=O)c5ccccc5)C6(OCCO6)C B521500 CC[C@@H](CC(=O)N1[C@@H](COC1=O)c2ccccc2)c3cccc(c3)N(Cc4ccccc4)Cc5ccccc5 B521600 CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)C4=C(C[C@](OC4=O)(CCc5ccccc5)C#CC)O B522000 CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@@H](C(=O)C[C@](CCc4ccccc4)(C#CC)O)C(=O)N5[C@@H](COC5=O)c6ccccc6 B522100 COc1cc(ccc1)N(C/C=C/c2ccccc2)C/C=C/c3ccccc3 B522310 B1(OC(C(O1)(C)C)(C)C)CB2OC(C(O2)(C)C)(C)C B522750 B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C B522770 CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC B523500 c1cc2ccc3cc(cc4c3c2c(c1)cc4)COCc5cc6ccc7cccc8c7c6c(c5)cc8 B525000 COc1cc(nc(n1)Oc2cccc(c2C(=O)[O-])Oc3nc(cc(n3)OC)OC)OC.[Na+] B525400 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5ccccn5)O B525800 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5ccccn5)O)C(=O)O B525810 c1cc(cnc1)NC(=O)Nc2cccnc2 B526000 c1cc([nH]c1)C#Cc2ccc3ccc(nc3n2)C#Cc4ccc[nH]4 B529750 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)[O-])C(=O)O)(C)C)CCCCS(=O)(=O)[O-])C(=O)O)C.[Na+] B535140 c1cc(c(cc1)S(=O)(=O)[O-])/C=C/c2ccc(cc2)c3ccc(cc3)/C=C/c4c(cccc4)S(=O)(=O)[O-].[Na+].[Na+] B535200 CC[C@H](C(=O)O)Br B545000 C1CC(=O)N(C1=O)OC(=O)OCCS(=O)(=O)CCOC(=O)ON2C(=O)CCC2=O B585000 CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)O[Si](C)(C)C(C)(C)C B585340 CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2ccc(=O)[nH]c2=O)O[Si](C)(C)C(C)(C)C B585360 c1ccc(c(c1)c2ccccc2c3n[nH]nn3)c4n[nH]nn4 B585370 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B585382 CC(=O)SCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CSC(=O)C B585410 c1c(cc(c(c1Br)OCCOc2c(cc(cc2Br)Br)Br)Br)Br B585425 [2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1Br)Br)Br)Oc2c(cc(cc2Br)Br)Br B585427 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)OC(=O)OCC(Cl)(Cl)Cl)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B585435 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O[Si](CC)(CC)CC)C)OC(=O)C)C)OC(=O)C B585440 CN(C)CC1CCCCC1=O.Cl B585445 [2H]C([2H])([2H])N(CC1CCCCC1=O)C([2H])([2H])[2H] B585450 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O)C)O[Si](CC)(CC)CC)C)OC(=O)C B585455 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)O)C)O[Si](CC)(CC)CC)C)[2H])[2H] B585457 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)[2H])[2H] B585462 COc1cc(ccc1c2ccc(cc2OC)C3(N=N3)C(F)(F)F)C4(N=N4)C(F)(F)F B585465 CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O[Si](CC)(CC)CC)C)O)C)OC(=O)C B585470 CCP(=O)(OCC(F)(F)F)OCC(F)(F)F B585475 c1c(cc(cc1C(F)(F)F)C(F)(F)F)C2CCN2.Cl B585480 c1cc(c(cc1OCC(F)(F)F)C(=O)O)OCC(F)(F)F B585485 [2H]c1c(c(c(c(c1OCC(F)(F)F)[2H])C(=O)O)OCC(F)(F)F)[2H] B585487 c1cc(c(cc1C(F)(F)F)N)C(F)(F)F B585490 c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5[Hg+])O)[Hg+])O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-] B585495 COc1cc(cc(c1OC)OC)[C@@H]2CO[C@H](O2)c3cc(c(c(c3)OC)OC)OC B585500 CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)OC(=O)C(C)(C)C B586750 C[N+](C)(C)CCCCCCC[N+](C)(C)C B586975 [2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])/N=C(\C)/O[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] B588502 C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B588580 C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O B588630 CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C B588660 [2H]C([2H])(C([2H])(C([2H])([2H])O[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC)O[Si](C(C)C)(C(C)C)C(C)C B588662 c1ccc(cc1)P(c2ccccc2)c3ccccc3.c1ccc(cc1)P(c2ccccc2)c3ccccc3.[Cl-].[Cl-].[Ni+4] B588700 C(CCS(=O)(=O)[O-])COCCCCS(=O)(=O)[O-].[Na+].[Na+] B588850 CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)NCNc3[nH]c(=O)c4c(n3)n(cn4)COCCOC(=O)[C@H](C(C)C)N)N B588950 Cc1ccc(c(c1)C)N/C=N/c2ccc(cc2C)C B591280 Cc1ccc(c(c1)C)/N=C/N(C)c2ccc(cc2C)C.Cl B591300 CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC B591600 Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3CCl)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)CCl B591700 Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O B592490 Cc1ccc2c(c1)C(=O)[C@]3(CCN(C3=N2)c4ccccc4)O B592495 Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O B592500 Cc1ccc2c(c1)C(=O)[C@]3(CCN(C3=N2)c4ccccc4)OC(=O)c5ccccc5 B592530 *C(=O)c1csc(n1)c2csc(n2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(c3c[nH]cn3)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O B595800 c1c(n2c(n1)COCC2)/C=C/3\[C@@H]4N(C3=O)C(=CS4)C(=O)[O-].[Na+] B595825 CCN1CCN(CC1)c2cc(c3c(n2)CCCCCC3)c4ccc(cc4)F B595850 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)c2cc(c3c(n2)CCCCCC3)c4ccc(cc4)F B595852 c1ccc(cc1)CC(=O)Nc2cccc(c2)C(=O)Nc3ccccc3C(=O)O B595870 CN1c2cc3ccoc3cc2C(C1=O)C(=O)Nc4nncs4 B595880 c1ccc(cc1)Oc2cccc(c2)CCC[C@@H](P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+] B595900 c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4cccs4)C#N)Cc5cnc[nH]5 B596050 Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)NC(=O)OC[C@@H]6COCCN6 B596300 [2H]C1(COC[C@H](N1)C([2H])([2H])OC(=O)Nc2cn3c(c2C)c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F)[2H] B596302 C[C@H]1[C@@H]([C@H](CC(O1)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C B600125 CC(OC(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)(C)C B600250 [2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H] B600252 [2H]C([2H])([2H])C([2H])(C(=O)O)NC(=O)OC(C)(C)C B600402 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B600452 CC(C)(C)OC(=O)[C@H](CCCC(=O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B600700 CC(C)(C)OC(=O)N1CC(C1)N B600900 CC(C)(C)OC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)OC B601100 CC(C)(C)OC(=O)N(C)c1ccc(cc1)C(=O)O B601300 CC(C)(C)OC(=O)NCCCCBr B601525 CC(C#C)NC(=O)OC(C)(C)C B601600 C[C@@H](C#C)NC(=O)OC(C)(C)C B601610 CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O B602350 CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O B602575 CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B617525 CC(C)(C)OC(=O)NC(C(=O)NCCC(=O)O)C(=O)O B617625 CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N B617670 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N)NC(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])[2H] B617672 CC(C)(C)OC(=O)NC1CC=CC1 B617700 CC(C)(C)OC(=O)NCCCCCCCCCC(=O)O B617775 CC(C)(C)OC(=O)NCCCCCCCCCCO B617785 CC(C)(C)OC(=O)NCCCCCCCCCCBr B617825 CC(C)(C)OC(=O)NCCCCCCCCCCSS(=O)(=O)C B617875 CC(C)(C)OC(=O)N[C@@H](CCl)[C@@H](CCl)O B617960 CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)O)NC(=O)OC(C)(C)C B617990 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C(=O)OC(C)(C)C B646350 [2H]C1(C(N(C(C(N1C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B646422 CC(C)(C)OC(=O)NCCCCCCN B646500 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN(C)C(=O)OC(C)(C)C)C3(CCCCC3)O)C(=O)OC)OC(=O)C B646860 CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B648440 CC1=C2[C@H](C(=O)[C@@]3([C@@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B648441 C[C@H]1CN[C@@H](CN1C(=O)OC(C)(C)C)C B648450 CC(C)(C)OC(=O)N1CC([C@H]([C@@H](C1CO)O)O)O B648460 CC(C)(C)OC(=O)N[C@@H](CC(C)(C)C(=O)O)C(=O)O B648465 CCOC(=O)[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)c2ccccc2 B648469 CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C B648470 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B648475 CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)(C3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@H]6[C@@H](N(C(O6)(C)C)C(=O)OC(C)(C)C)c7ccccc7)C)OC(=O)C)C)OC(=O)C B648480 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)c2cccc(c2OC)OC B648485 CC1(CCN(C1C(=O)O)C(=O)OC(C)(C)C)C B648490 CC1(CCN([C@H]1C(=O)O)C(=O)OC(C)(C)C)C B648500 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C B648540 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C B648550 CC(C)(C)OC(=O)NCCO B649490 CC(C)(C)OC(=O)NCCCCCCCCCCCCO B618025 CC(C)(C)OC(=O)NCCCCCCCCCCCCBr B618050 CC(C)(C)OC(=O)NCCCCCCCCCCCCSS(=O)(=O)C B618120 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]2CO2 B618530 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]2CO2 B618531 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H]2CO2)NC(=O)OC(C)(C)C)[2H])[2H] B618532 CC(C)(C)OC(=O)NCCOCCOCCO B618580 CC(C)(C)OC(=O)NCCOCCOCCBr B618590 CC(C)(C)OC(=O)NCCOCCOCCOc1c(cccc1C2(N=N2)C(F)(F)F)C(=O)OC B618600 C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](CC1)C(=O)O B618690 CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O B618750 CC(C)(C)OC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]2CCC[C@H](C2)O B618780 CC(OC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]2CC[C@@H](CC2)O)(C)C B618790 C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC(CC1)C(=O)Nc2ccncc2 B618800 CC(C)(C)OC(=O)NC(CSS(=O)(=O)C)C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O B619050 CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 B619250 CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2c3ccccc3-c4c2cccc4)C(=O)O B619260 CC(C)(C)OC(=O)N[C@H]1CN(C1=O)O B619330 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OC(C)(C)C)O B619410 C.CC(C)(c1ccc(cc1)OS(=O)(=O)[O-])c2ccc(cc2)OS(=O)(=O)[O-] B619525 CC(C)(C)OC(=O)NCc1ccc(cc1)N B619800 CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C B619835 CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NC(=O)OC(C)(C)C B619850 CC(C)(C)OC(=O)CN(CC(Cc1ccc(cc1)NC(=O)CONC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B620050 CC(C)(C)OC(=O)NCCCCO B620825 [2H]C([2H])([2H])Oc1ccccc1OCCNC(=O)OC(C)(C)C B620902 CC(C)(C)OC(=O)CNC(=O)C(C(=O)NCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B620920 CC(C)(C)OC(=O)NCC(c1ccc(cc1)OC)C2(CCCCC2)O B620940 CC(C)(C)OC(=O)NCC(=N)N.Cl B620960 CC(C)(C)OC(=O)N1CCC(CC1)CN B620970 CC(C(=O)CC(=O)OC)NC(=O)OC(C)(C)C B620980 CC(CCC(=O)O)NC(=O)OC(C)(C)C B621000 CC(C)(C)OC(=O)NCCCCCO B621025 CC(C)(C)OC(=O)NCCCCCBr B621075 Cc1ccc(cc1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C B621085 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C=C B621105 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C=C)NC(=O)OC(C)(C)C)[2H])[2H] B621107 CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCCCC(=O)Nc2ccccc2 B621110 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)O)C(=O)OC(C)(C)C B621115 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN(CC(=O)O)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[2H])[2H] B621117 CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N B621125 CC(C)(C)OC(=O)N[C@H]1CCCNC1 B621130 CCOC(=O)CCCCC(C(=O)C(C)NC(=O)OC(C)(C)C)C(=O)OC B621150 CC1(C=C(C(N1O)(C)C)CSC[C@H](C(=O)OC)NC(=O)OC(C)(C)C)C B621165 CC(C)(C)OC(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)OC B621180 CC(C)(C)OC(=O)NCCOCCOCCOCCBr B621210 CC(C)(C)OC(=O)NCCOCCOCCOCCO B621250 CC(C)(C)OC(=O)N1CC=CCC1c2cccnc2 B621260 C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C B621275 C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C B621280 CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C B621300 CC(C)(C)OC(=O)N1CCCC(=O)CC1 B621350 c1c(cnc(n1)N)Br B621550 CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)O B624500 CC(C)(C)OC(=O)N1CC(=O)C1 B624560 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2COc3ccccc3O2 B625100 [2H]C1(C(N(C(C(N1C(=O)C2COc3ccccc3O2)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B625102 CC(C)(C)OC(=O)OC(=O)Oc1ccc(cc1)CO B625750 CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)O B625895 CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)OC B625900 CC(C)(C)OC(=O)OC(=O)Oc1ccc(cc1)CSS(=O)(=O)C B626250 [2H]C1(C(N(C(C(N1Cc2ccccc2)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B626302 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O B630000 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B631100 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O B642500 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B642700 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)ON3C(=O)CCC3=O B642770 CC(C)(C)OC(=O)NCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B642850 CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)N(CCO)CCO)C(=O)OC B643200 [2H]C([2H])(C([2H])([2H])O)N(c1ccc(cc1)C[C@H](C(=O)OC)NC(=O)OC(C)(C)C)C([2H])([2H])C([2H])([2H])O B643202 CC(C)(C)OC(=O)NCCBr B643525 [2H]C([2H])(C([2H])([2H])Br)NC(=O)OC(C)(C)C B643527 CC(C)(C)OC(=O)NCCCCCCBr B643600 CC(C)(C)OC(=O)NC(CBr)C(=O)OCC=C B643750 CC(C)(C)OC(=O)n1cccc1Br B643950 CC(C)(C)OC(=O)N1C[C@H]1[C@@H](CCl)O[Si](C)(C)C(C)(C)C B644375 C[C@H](C1CCC(CC1)CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C B644500 CC(C)(C)OC(=O)N1CC(c2c1ccc3c2cccc3)CCl B645900 CC(C)(C)OC(=O)N1CCC(CC1)C#N B646175 CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)O B646210 CC(C)(C)OC(=O)N1CCC(CC1)(C2CC2)C(=O)O B646220 CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)C2CC2 B646225 CC(C)(C)OC(=O)N[C@H](CSS(=O)(=O)C)C(=O)O B646250 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)C(=O)OC(C)(C)C)n(n1)C B646280 CCN(CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)C(=O)OC(C)(C)C B646295 [2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)C(=O)OC(C)(C)C B646297 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)C(=O)OC(C)(C)C)Cl B646305 [2H]C1(C(N(C(C(N1c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B646307 CC1CN(CCN1C(=O)OC(C)(C)C)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O B646310 CC(C)(C)OC(=O)NCCO/N=C(\CCCCO)/c1ccc(cc1)C(F)(F)F B646320 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C(=O)OC(C)(C)C)/c3ccccc3 B646330 CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc2ccccc2 B649500 CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2C1=O B653430 CCN(C1CNC1)C(=O)OC(C)(C)C B653440 CCN(CCCC(C)N)C(=O)OC(C)(C)C B653450 CC(C)(C)OC(=O)NCCN B655000 CC(C)(C)OC(=O)NCCN.Cl B655001 CCN(CCN)C(=O)OC(C)(C)C B655010 [2H]C([2H])([2H])C([2H])([2H])N(CCN)C(=O)OC(C)(C)C B655012 CCN(CCCC1(OCCO1)C)C(=O)OC(C)(C)C B655320 CCC(CC)[C@@H](C(=O)O)NC(=O)OC(C)(C)C B655400 CCN(CCCC(=O)C)C(=O)OC(C)(C)C B655850 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C(=O)OC(C)(C)C B655862 CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)CCO)C(=O)O B655875 CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)C(=O)O)F B655900 [2H]C([2H])([2H])OCCCC/C(=N\OCCNC(=O)OC(C)(C)C)/c1ccc(cc1)C(F)(F)F B655917 CC(C)(C)OC(=O)NCCO/N=C(\CCCC(=O)O)/c1ccc(cc1)C(F)(F)F B655920 [2H]C([2H])([2H])Oc1cc(ccc1OCCNC(=O)OC(C)(C)C)C=O B655952 CC(C)(C)OC(=O)NCC(=O)O B656125 CC(C)(C)OC(=O)N1CC(=O)OC1=O B656130 CC(C)(C)OC(=O)n1cc(nc1)CCN B656200 CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O B656230 CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O.C1CCC(CC1)NC2CCCCC2 B656240 CCN(CC)CC.CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O B656250 CCOC(=O)[C@H](CCO)NC(=O)OC(C)(C)C B656255 CCOC(=O)[C@H](CCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OC(C)(C)C B656260 CCOC(=O)[C@H](CCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OC(C)(C)C B656265 CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)N(CC(C=C)O)C(=O)OC(C)(C)C B656380 CC(C)(C)OC(=O)NCCCCCCO B656450 CC(C)(C)OC(=O)NCCOc1ccc(cc1OC)O B656500 [2H]C([2H])([2H])Oc1cc(ccc1OCCNC(=O)OC(C)(C)C)O B656502 CC(C)(C)OC(=O)NCCOc1cc(ccc1OC)O B656503 C[C@H](C1CCC(CC1)CO)NC(=O)OC(C)(C)C B656560 CC(C)(C)OC(=O)N1CCC(CC12CCC2)O B656600 CC(C)(C)OC(=O)N1CCC[C@@H](C1)O B656650 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CI B656685 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CI B656690 CCCCCCCCCCCCC/C=C/C1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(O)OCCBr B656705 CCCCCCCCCCCCC/C=C/C1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(O)OCC[N+](C)(C)C B656730 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OC(C)(C)C)C(C)C B656745 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)OC(C)(C)C)C)C([2H])([2H])[2H] B656747 CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)O B656900 CC(C)(C)[C@@H](CO)NC(=O)OC(C)(C)C B656950 C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C B656955 [2H]C([2H])([2H])C([2H])(C(=O)O)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H] B656957 CC(C)(C)OC(=O)N(C)CCCC(=O)c1cccnc1 B656960 CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(=O)OC B656965 CC(C)(C)OC(=O)N1CCN(CC1)C B656970 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B656972 C[C@H]1CNCCN1C(=O)OC(C)(C)C B656975 CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)O B656985 CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B657010 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=NCCO2)c3ccc(cc3)F B657140 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657150 [2H]C[C@]([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657152 [2H]CC([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657157 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](NC(=O)CO2)c3ccc(cc3)F B657160 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)OC B657200 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C)[2H])[2H] B657202 CCC(C)[C@H]1COCC(=O)N1C(=O)OC(C)(C)C B657250 CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)O)C(=O)N2CCN(CC2)c3ccccc3 B657920 CC(C)(C)OC(=O)Nc1ccc2ccccc2c1 B657980 CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O B658020 CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC B658050 CC(C)(C)OC(=O)N1CCCC1c2cccnc2 B658150 CC(C)(C)OC(=O)n1cccc1c2cccnc2 B658175 CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(=O)C2 B658750 CCCC(C(=O)O)NC(=O)OC(C)(C)C B658900 CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O B661000 CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC(=O)C2 B661180 CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)OC B661225 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C=O B661520 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C=O)NC(=O)OC(C)(C)C)[2H])[2H] B661522 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O B661530 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)[2H])[2H] B661532 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC2CCCCC2 B661560 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CO B661565 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CO B661570 CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1 B661575 CC(C)(C)OC(=O)Nc1ccccc1N B661700 CCOC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O B661825 CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)O B661950 Cc1cc(cc(c1N)C)OC(=O)C2CCCCN2C(=O)OC(C)(C)C B661960 CC(C)(C)OC(=O)N1CCNCC1 B662000 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B662002 CC(C)(C)OC(=O)N1[13CH2][13CH2]N[13CH2][13CH2]1 B662003 CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C#N B662075 CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C(=O)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C B663125 CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2 B663215 CC(C)(C)OC(=O)N1CCC(=O)CC1 B663850 CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)O B663880 CCCCCCCCCCCCC/C=C/[C@@H]1C([N@@](C(O1)(C)C)C(=O)OC(C)(C)C)COC(=O)C(C)(C)C B663890 CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)OC B664240 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O B664250 CC(C)(C)OC(=O)NNCc1ccc(cc1)c2ccccn2 B665200 CC(C)(C)OC(=O)N/N=C/c1ccc(cc1)c2ccccn2 B665250 CC(C)(C)OC(=O)N1CCCC1 B665850 CC(C)(C)OC(=O)N1CCC(C1)O B665900 CC(C)(C)OC(=O)N1CCC(=O)C1 B665950 B(c1cccn1C(=O)OC(C)(C)C)(O)O B666500 CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCC=C B667375 CC(C)(C)OC(=O)N[C@H]1COC1=O B667390 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OC(C)(C)C)O B667750 [2H][13C]([2H])([13C@H]([C@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)OC(C)(C)C)O B667752 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)OC(C)(C)C)O B667755 CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)O B667770 CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)OP(=O)(OCCC#N)OCCC#N B667775 CCCCCCCCCCCCC/C=C/[C@@H]1C([N@@](C(O1)(C)C)C(=O)OC(C)(C)C)CO B667780 CCCCCCCCCCCCC/C=C/[C@@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(OC(C)c2ccccc2[N+](=O)[O-])OC(C)c3ccccc3[N+](=O)[O-] B667790 CC1(CC(CC(N1O)(C)C)(C(=O)O)NC(=O)OC(C)(C)C)C B667850 Cc1ccc(cc1)S(=O)(=O)OC2CCN(C2)C(=O)OC(C)(C)C B668800 CC1(CC(C(N1O)(C)C)NC(=O)CBr)C B670035 CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)c2ccccc2 B671500 CC(C)(C)OC(=O)N1CC[C@H]1COc2cccnc2[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-] B672500 CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)N(C)OC B673125 CC(C)(C)OC(=O)NCCc1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4 B673300 CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC(=O)OC(C)(C)C B673500 [2H]C([2H])(C([2H])([2H])OC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C)OCn1cnc2c1nc([nH]c2=O)N B673502 CC(C)[C@@H](C(=O)Oc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C B674000 CC(C)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C B674155 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C B674500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C B674502 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C)C(C)(C)C B674517 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)O)C B674520 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C B674522 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N)C B674525 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N)C2(C)C)C(C)(C)C B674527 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCl)C)C)(F)F B674700 [B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)NCCN3CC(C[C@@H]4C3C(C5(O4)CCC6C7CC=C8C[C@H](CCC8(C7CC6=C5C)C)O)C)C)C=C9[N+]1=C(C=C9C)C)(F)F B674800 [2H]C([2H])(C(=O)NCCN1CC(C[C@@H]2C1C(C3(O2)CCC4C5CC=C6C[C@H](CCC6(C5CC4=C3C)C)O)C)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)CCc7ccc8n7[B-]([N+]9=C(C=C(C9=C8)C)C)(F)F B674802 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)N=C=S)C)C)(F)F B674840 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CSS(=O)(=O)C)C)C)(F)F B674875 [B-]1(n2c(ccc2CCCCCCCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674910 [B-]1(n2c(ccc2CCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674920 C1=CC(C(C(C1O)O)O)Br B682500 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O.CS(=O)(=O)O B682600 [2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c4c2cccc4[nH]c3Br)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C B682602 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O B682605 c1cc(c(nc1)C#N)Br B682725 c1c(cncc1Br)C#N B682750 c1cc(c(cc1/C=C/2\C(=O)NC(=O)S2)Br)OCCC3CCCCC3 B682755 [2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2Br)/C=C/3\C(=O)NC(=O)S3 B682757 C1CC1Br B682760 Cc1c(cnc(c1NC(=O)c2cccnc2Cl)NC3CC3)Br B682770 COc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)CBr)O)O)O)C2=O B682780 [B-]1(n2c(ccc2CCC(=O)OC)C=C3[N+]1=C(C=C3C)C)(F)F B674925 [B-]1(n2c(ccc2CCC(=O)Nc3ccc(cc3)CCN4CN(C5(C4=O)CCN(CC5)CCCC(=O)c6ccc(cc6)F)c7ccccc7)C=C8[N+]1=C(C=C8C)C)(F)F B674930 [B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4C)C)(F)F B674935 [B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674945 C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C B674970 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@H]34)O B675000 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C[C@H](CC[C@H]34)O)C)O B675002 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C B675100 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O B675102 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)C=C[C@]34C B675105 [2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O B675107 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OS(=O)(=O)O)CCC4=CC(=O)C=C[C@]34C B675110 [2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)OS(=O)(=O)O B675112 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C B675115 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O B675117 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)C=C[C@]35C B675120 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C B675125 [2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O B675127 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)C=C[C@]34C B675140 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C B675200 Cc1cc2c([nH]1)cccc2OCC(CNC(C)(C)C)OC(=O)c3ccccc3 B675400 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cc([nH]2)C)OC(=O)c3ccccc3 B675402 B1(OC(C(O1)(C)C)(C)C)C2CCCN2.Cl B675500 B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O B675700 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[C@]([2H])(C(=O)N[C@H](B(O)O)CC(C)C)NC(=O)c2cnccn2)[2H])[2H] B675702 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC B675900 CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC B676095 C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C B676490 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C B676500 CC(C)(C)c1ccc(cc1)CCC=O B676650 C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br B676750 [2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC(=C)Br)[2H] B676752 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C B676850 CSC(=S)NCc1c[nH]c2c1cccc2 B676950 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O B677050 C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O B677240 CC[C@@]12CCN(C(C1(C)C)Cc3c2cc(cc3)O)CC4(CC4)O.Cl B677350 CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(cc1)S(=O)(=O)[O-] B677370 CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[Na+].[Na+] B677400 c1cc(c(c2c1nccn2)Br)NC3=NCCN3 B677520 c1cc(c(c2c1nccn2)Br)NC3=NCCN3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B677530 [2H]C1(C(N=C(N1)Nc2ccc3c(c2Br)nccn3)([2H])[2H])[2H].[C@H]([C@@H](C(=O)O)O)(C(=O)O)O B677532 [2H]C1(C(N=C(N1)Nc2ccc3c(c2Br)nccn3)([2H])[2H])[2H].[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B677533 CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC.Cl B677600 [2H]C([2H])([2H])C([2H])([2H])N[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC B677602 Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C B677640 CC1c2ccccc2CN1CC3=NCCN3 B677680 Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-] B677750 c1ccc2c(c1)CC(CC2c3c(c4ccccc4oc3=O)O)c5ccc(cc5)c6ccc(cc6)Br B677900 COc1cc(cc(c1Br)OC)Cc2cnc(nc2N)N B678100 [2H]C([2H])([2H])Oc1cc(cc(c1Br)OC([2H])([2H])[2H])Cc2cnc(nc2N)N B678102 c1ccc(cc1)C(CC(c2ccc(cc2)c3ccc(cc3)Br)O)c4c(c5ccccc5oc4=O)O B678200 C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br B678400 C1(=C(C(=O)C(=C(C1=O)Br)O)Br)O B678405 c1c(ccc(c1)Br)NC2[C@H]3C[C@H]4C[C@@H]2C[C@@H](C3)C4 B678450 [2H]c1c(c(c(c(c1[2H])Br)[2H])[2H])NC2([C@H]3C[C@H]4C[C@@H]2C[C@@H](C3)C4)[2H] B678452 c1ccnc(c1)C2=NCC(=O)Nc3c2cc(cc3)Br B678500 [2H]c1c(c(nc(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)Br)[2H])[2H] B678502 CN(C)CCOC(c1ccccc1)c2ccc(cc2)Br.Cl B678525 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccc(cc2)Br)OCCN(C)C)[2H])[2H].Cl B678527 CC(C)(C)NCC(c1cc(c(c(c1)Br)N)Br)O.Cl B678535 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Br)N)Br)O.Cl B678537 c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)[O-].[Na+] B678550 [2H]c1c(c(c(c(c1[2H])C(=O)c2c(c(c(c(c2[2H])[2H])Br)[2H])[2H])N)CC(=O)[O-])[2H].[Na+] B678552 c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)O B678560 c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B678565 CN(Cc1cc(cc(c1N)Br)Br)C2CCCCC2.Cl B678600 c1ccc2c(c1)C(=O)C(C2=O)c3ccc(cc3)Br B678700 [2H]c1c(c(c(c(c1C2C(=O)c3ccccc3C2=O)[2H])[2H])Br)[2H] B678702 c1c(cc(c(c1Br)OCC(CBr)Br)Br)Br B678800 CCOC(CBr)OCC B678880 c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)Cl)Cl B678960 c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CBr B679000 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)NC(=O)CBr)N(C)C B679050 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CBr)N(C)C B679055 CC(=O)c1ccc(cc1)Br B679060 [2H]c1c(c(c(c(c1C(=O)C)[2H])[2H])Br)[2H] B679062 c1ccc(cc1)C(=O)CBr B679065 CC1(OCCO1)c2ccc(cc2)Br B679070 C(CNC(=O)CBr)C(=O)O B679080 COC(=O)CCc1cc(c(s1)NC(=O)CBr)C(=O)c2ccccc2Cl B679085 c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CBr)Cl B679090 CN(C)c1ccc2cc(ccc2c1)C(=O)CBr B679095 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)CBr B679100 c1cc(cnc1)C(=O)CBr.Br B679110 CCOC(=O)CBr B679125 c1cc(ccc1C(=O)CBr)C(=O)O B679250 COC(=O)c1ccc(cc1)C(=O)CBr B679260 c1cc(cc(c1)C(=O)CBr)C#N B679265 CCc1cccc2c1oc(c2)C(=O)CBr B679270 [2H]c1c(c(c(c(c1C#N)[2H])[2H])C(=O)CBr)[2H] B679277 CS(=O)(=O)Nc1ccc(cc1)C(=O)CBr B679280 Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)CBr B679290 c1cc(ccc1C(=O)CBr)N2CCCC2=O B679300 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)Br)C B679320 c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@H](C([C@H](O3)CO)O)O)N B679375 c1cc(c(cc1N)Br)C(=O)O B679450 C(CCCCCBr)CCCCN.Br B679485 C(CCCCCCBr)CCCCCN.Br B679575 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)Br)N)C(=O)O)C B679625 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)Br B679700 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)Br B679705 c1cc(cc(c1)Br)N B679960 [2H]c1c(c(c(c(c1[2H])Br)[2H])N)[2H] B679962 COc1cccc(c1)Br B680120 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C(=C[C@@]43C)Br)Cl)O)C)C)OC(=O)CC B680130 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)Br)Cl)O)C)C)OC(=O)CC B680135 CCOC(=O)C(c1ccccc1)Br B680150 c1cc-2c(cnc2[nH]c1)Br B680155 COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OS(=O)(=O)c6ccc(cc6)Br B680160 c1cc2c(cco2)c(c1)Br B680165 c1cc(ccc1S(=O)(=O)Cl)Br B680170 c1ccc2c(c1)[nH]c(n2)Br B680175 c1cc(cc2c1cco2)Br B680180 COC(=O)c1cc2cc(ccc2s1)Br B680185 c1cc2c(c(c1)C(=O)c3ccc(cc3)Br)NC(=O)C2 B680190 CCCCc1nc(c(n1Cc2ccc(cc2)Br)C=O)Cl B680195 CCCCc1nc(c(n1Cc2ccc(cc2)Br)C(=O)O)Cl B680205 c1cc(ccc1CC#N)Br B680210 c1cc(c(c(c1)Br)N)N B680220 c1cc2c(cc1Br)cc(o2)C=O B680230 COC(=O)c1cc2cc(ccc2o1)Br B680240 COC(=O)c1ccc(cc1)Br B680245 c1cc2c(cc1Br)cc(s2)C=O B680255 c1cc(cc2c1cc(s2)C=O)Br B680260 COC(=O)c1cc2ccc(cc2s1)Br B680265 COc1ccc(c(c1OCc2ccccc2)Br)C(=O)O B680275 COc1ccc(c(c1OCc2ccccc2)Br)C(=O)OC B680280 CSC(=S)NCC1=NCc2c1cc(cc2)Br B680375 c1cc(c(cc1Cl)CBr)Br B680600 c1cc(c(cc1Br)Cl)CBr B680610 c1cc(ccc1/C=C/Br)Br B680625 c1cc(ccc1c2cc3ccc(cc3[nH]2)Br)Br B680635 c1ccc(c(c1)/C=C/Br)Br B680750 CCc1cc(cc2c1oc(c2)C(CNC(C)(C)[CH2])O)Br.Cl B681825 [2H]C([2H])([2H])CCCBr B681830 [2H]C([2H])([2H])CCCBr B681832 [2H]C([2H])([2H])c1ccsc1C(=CCCBr)c2c(ccs2)C([2H])([2H])[2H] B681842 C=CCCBr B681845 C(/C=C/CBr)O B681850 [2H]C([2H])(C(C([2H])([2H])O[Si](C)(C)C(C)(C)C)Br)O[Si](C)(C)C(C)(C)C B681862 CC1(N([C@H](CO1)C2CC(=NO2)Br)C(=O)OC(C)(C)C)C B681875 c1cc2c(cc1OCCCCBr)NC(=O)CC2 B681960 [2H]C([2H])(C([2H])([2H])C([2H])([2H])Br)C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2 B681962 C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCBr B681970 [2H]C([2H])(C([2H])([2H])C([2H])([2H])Br)C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O B681972 c1cc(cc2c1ccc(=O)[nH]2)OCCCCBr B681980 c1cc(cc2c1ccc(=O)n2CCCCBr)OCCCCBr B681985 CC(C)(C)c1ccc(cc1)C(=O)CBr B681990 CCCCc1nc(c2n1Cc3ccc(cc3C2)Br)Cl B681995 C(CCBr)CC1C(=O)NC(=O)N1 B682000 CCCCc1nc(c2n1Cc3ccc(cc3C2=O)Br)Cl B682005 CC(C)(c1ccc(cc1)C#CCCBr)C(=O)OC B682020 C1COC(=O)C1Br B682070 CC(Cc1cc(c(cc1Br)O)O)(C(=O)O)NN B682075 CC(Cc1cc(c(c(c1)Br)O)O)(C(=O)O)NN B682080 C[C@]12CCC(C1(C)CS(=O)(=O)[O-])[C@H](C2=O)Br.[NH4+] B682085 C[C@@]12CCC(C1(C)CS(=O)(=O)[O-])[C@@H](C2=O)Br.[NH4+] B682090 C(=O)C(Cl)Br B682095 c1c(c(cc(c1Cl)Br)N)C(=O)O B682100 c1cc(c(cc1Br)Cl)C(=O)O B682115 c1cc(c(cc1Cl)F)Br B682125 c1c2c(cc(c1Cl)Br)NC(=O)C2=O B682150 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3Br)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] B682200 c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)[N+](=O)[O-])Cl B682220 CCOC(=O)Cc1ccc(cc1Cl)Br B682225 C=Cc1ccc(cc1Cl)Br B682230 c1cc(cc2c1cc(cc2)Br)Cl B682235 c1cc(c(cc1Br)Cl)CCI B682240 c1cc(c(cc1Br)Cl)CCO B682245 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2c[nH]c3c2c(c(cc3)Br)Cl)CO)O)O B682250 c1ccc(c(c1)C(C(=O)O)Br)Cl B682255 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2c[nH]c3c2c(c(cc3)Br)Cl)CO)O)O B682265 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)Br)Cl)[2H])[2H] B682272 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2O)Br)Cl)[2H])[2H] B682277 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)Oc2c[nH]c3c2c(c(cc3)Br)Cl)O B682285 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2c[nH]c3c2c(c(cc3)Br)Cl)O.[Na+] B682300 CC(=O)Oc1cn(c2c1c(c(cc2)Br)Cl)OC(=O)C B682335 COc1c(c(nc(n1)OC)Cl)Br B682340 c1cc(c(c2c1[nH]cc2O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O)Cl)Br B682350 c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O)Cl)Br B682360 C([N+](=O)[O-])(Cl)Br B682365 c1c(cnc(c1[N+](=O)[O-])Cl)Br B682370 c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br.C1CCC(CC1)N B682380 C/C(=C\CBr)/CCl B682385 c1cc(ccc1/C=C/Br)Cl B682390 C1(C(=C(C(=O)O1)Cl)C(Cl)Br)O B682395 c1c(cnc(c1Br)Cl)S(=O)(=O)Cl B682400 c1c2c(cc(c1Cl)Br)nc[nH]c2=O B682405 c1cc(nc2c1cc(cc2)Br)Cl B682410 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@H](C4)OC(=O)C)C)Br)O)C B682415 c1cc(ccc1/C=C/C=O)Br B682420 c1c(csc1Cl)Br B682425 c1ccc(c(c1)/C=C/C(=O)O)Br B682430 c1cc(ccc1/C=C/C(=O)O)Br B682435 c1cc2cnccc2c(c1)S(=O)(=O)NCCNC/C=C/c3ccc(cc3)Br B682440 c1cc2cnccc2c(c1)S(=O)(=O)NCCNC/C=C/c3ccc(cc3)Br B682445 C(CCl)CBr B682450 Cn1cc(c2c1ncnc2Cl)Br B682470 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CBr)O)N)O.C(=O)O B682790 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Br)C)OC(=O)C B682795 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3C[C@H](C4=O)Br)C)O B682800 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)Br)O B682810 C1[C@@H](O[C@@H](C1O)CO)n2c3c(c(=O)[nH]c(n3)N)nc2Br B682835 C1[C@H]([C@H](O[C@H]1n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2Br)CO)O B682837 CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)O[Si](C)(C)C(C)(C)C B682845 CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2c3c(c(nc(n3)N)OCc4ccccc4)nc2Br)O[Si](C)(C)C(C)(C)C B682850 CC1(OC2C(OC(=O)C2O1)CBr)C B682865 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)Br)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C B683000 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)Br B683250 CN(C)CCCC1(c2ccc(cc2CO1)Br)c3ccc(cc3)F B683280 C1(C(=C(C(=O)O1)Br)C(Br)Br)O B683300 C(#N)C(Cl)(Cl)Br B683400 c1cc(c(cc1Cl)Cl)C(=O)CBr B683405 C(Cl)(Cl)Br B683415 C[C@@](CBr)(C(=O)O)O B684445 c1cc(ccc1C(=O)CBr)O B684450 c1ccc(c(c1)C(=O)CBr)O B684455 c1ccc(c(c1)/C(=N/O)/CBr)O B684460 c1ccc(cc1)CCC(=O)c2ccccc2OCC(CBr)O B684465 [2H]C([2H])(C([2H])(C([2H])([2H])Br)O)Oc1ccccc1C(=O)CCc2ccccc2 B684467 CC1(C(=C(C(N1O)(C)C)Br)CO)C B684470 COc1cc(c(cc1O)CN(CCc2ccc(c(c2)Br)O)C=O)Br B684471 c1c(cncc1Br)O B684472 c1cncc(c1Br)O B684473 c1c(cnc(n1)O)Br B684475 c1cc(ccc1C(=O)CBr)n2ccnc2 B684478 c1cc2c(cc[nH]2)c(c1)Br B684480 c1cc2c(cc1Br)NC(=O)C2=O B684485 c1ccc2c(c1)cncc2Br B684488 c1cc2cnccc2c(c1)Br B684489 C(=O)C(C=O)Br B684490 c1cc(c(c2c1nccn2)Br)N=C=S B684495 CC(=O)NCCc1c2cc(ccc2[nH]c1Br)OC B684500 c1cc2c(cc1Br)C(=O)CC2 B684505 c1cocc1Br B684510 CCOC(=O)COc1cc(ccc1C=O)Br B684515 c1cc(c(cc1Br)F)C=O B684520 [13CH](Cl)(Cl)Br B683417 C([N+](=O)[O-])(Cl)(Cl)Br B683425 CCOC(=O)C(CBr)(OCC)OCC B683450 CCC(CC)(C(=O)OCC)Br B683460 c1c(cc(c(c1F)CC#N)F)Br B683465 c1cc2c(c(c1)Br)CCO2 B683475 CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)O B683500 CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)OC B683510 c1cc2c(cc1Br)CCNC2=O B683520 COc1ccc2c(c1)CCC(=C2c3ccc(cc3)OCc4ccccc4)Br B683700 COc1cc(cc(c1Br)OC)C=O B683790 CCOC(=O)c1cn(c2cc(c(cc2c1=O)Br)F)[C@H](CO)C(C)C B683830 CCOC(=O)c1cn(c2cc(c(cc2c1=O)Br)F)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C B683840 CC(C)(C)OC(=O)N1CCc2c1ccc(c2)Br B683980 CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H]([C@H](O1)Br)OC(=O)O2)OC(=O)C B684000 c1cc(c(cc1F)F)C(=O)CBr B684005 c1cc(ccc1C#N)Nc2nc(c(c(n2)Cl)Br)Cl B684010 c1cc(ccc1C#N)Nc2n[13c]([13c]([13c](n2)Cl)Br)Cl B684012 CC(=O)Oc1cc(cc(c1)OC(=O)C)C(=O)CBr B684015 c1(c(nc([nH]c1=O)N)N)Br B684020 c1ccc(cc1)COc2cc(cc(c2)OCc3ccccc3)C(=O)CBr B684025 c1c(c(nc(n1)Cl)Cl)Br B684030 c1c(cnc2c1CCC(=O)N2)Br B684035 c1cc(c(c(c1O)C(=O)O)O)Br B684040 c1ccc(cc1)C2CC(=O)Nc3c2cc(cc3)Br B684045 c1c(cc(cc1O)O)C(=O)CBr B684050 COc1cc(c(cc1OC)Br)C(=O)O B684055 c1ccc2c(c1)cc(c3ccccc3c2=O)Br B684060 c1cc2c(cc1Br)C[C@@H](C2)O B684065 c1cc2c(cc1Br)C(CC2)O B684066 c1cc2c(cc1Br)C[C@@H](C2)O B684070 COc1ccc(cc1OC)C(=O)CBr B684075 c1c(cc(c(c1F)CC(=O)O)F)Br B684080 COc1c(cnc(n1)OC)Br B684085 COc1cc(c(cc1Br)OC)CN2CCNCC2 B684090 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2cc(c(cc2OC)Br)OC)([2H])[2H])[2H] B684092 Cc1c(c2ccccc2c(c1Br)OC)OC B684100 c1c(cc(c(c1O)Br)O)C(=O)O B684110 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)Br)C B684120 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)Br)C([2H])([2H])[2H] B684122 CC(C)/C=C/c1c(cnc(c1[N+](=O)[O-])OC)Br B684130 CCCCCCC(C)(C)c1ccc(c(c1)O)Br B684135 CCCCCCC(C)(C)c1ccc(c(c1)OCc2ccccc2)Br B684140 CN(C)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Br)/c3ccccc3 B684145 CN(C)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Br)/c3ccccc3 B684150 CN(C)c1cccc(c1)Br B684160 CC(C)CCCC(C)CCBr B684170 [2H]c1c(c(c(c(c1Br)[2H])C([2H])([2H])[2H])O)C([2H])([2H])[2H] B684177 CC(C)(C#C/C=C/CBr)C(=O)OC B684180 CC1(CCC(=O)c2c1ccc(c2)Br)C B684185 c1ccc(cc1)C(CCBr)(c2ccccc2)C(=O)O B684190 c1ccc(cc1)/C(=C(/c2ccccc2)\Br)/c3ccc(cc3)O B684200 c1ccc(cc1)C(CCBr)(C#N)c2ccccc2 B684205 C[C@H](Cc1c2ccoc2c(c3c1occ3)Br)N.Cl B684210 [2H][C@@](C([2H])([2H])[2H])(C([2H])([2H])c1c2ccoc2c(c3c1occ3)Br)N.Cl B684212 c1ccc2c(c1)C(=O)N(C2=O)OCCBr B684215 CC(C)(C)C(=O)Oc1cc(cc(c1)OC(=O)C(C)(C)C)C(=O)CBr B684220 c1ccc2c(c1)Cc3cc(ccc3N4C2CN=C4N)Br B684225 CCOC(=S)Sc1ccc(c(c1)Br)C(=O)O B684230 c1cc2c(cc1CCBr)CCO2 B684233 [2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])Br B684234 c1cc(c2c(c1)NC(=O)C2)CCBr B684235 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCCBr)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B684240 CCc1cc(cc2c1oc(c2)C=O)Br B684245 CS(=O)(=O)SCCBr B684250 CCn1c(=O)n(nn1)CCBr B684255 c1cc(ccc1[N+](=O)[O-])OCCBr B684260 [2H]C([2H])(C([2H])([2H])Br)Oc1ccc(cc1)[N+](=O)[O-] B684262 C(CBr)C1C(=O)NC(=O)N1 B684265 CCc1cc(ccc1O)Br B684270 c1ccc2c(c1)C(C(=O)c3ccccc3N2C(=O)N)Br B684275 C(CBr)OP(=O)(Cl)Cl B684280 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@H](C5)OC(=O)C)CO4)Br)C B684285 C(CBr)S(=O)(=O)[O-].[Na+] B684290 CCc1ccc(cc1)Br B684295 CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCCBr)[N+](=O)[O-] B684300 CC(OC(=O)C)Br B684305 c1cc2c(cc1Br)NC(=O)C2 B684310 CCc1ccc(nc1)Br B684320 CCc1ccnc(c1)Br B684325 CCOC(=O)NCCBr B684330 C1C[N+]2(CCC1CC2)CCBr.[Br-] B684335 CCc1cc(cc(c1O)C=O)Br B684340 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCBr)OC(=O)C)OC(=O)C)OC(=O)C B684343 C[N+](C)(C)CCBr.[Br-] B684345 c1ccc2c(c1)c(=O)cc(o2)c3ccc(cc3)Br B684350 c1ccc(c(c1)C(=O)CBr)F B684355 c1cc(c(cc1Br)F)NN.Cl B684360 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)O)O)O B684365 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2Br)O)O)O B684367 c1cc(ccc1OC[C@H](/C=C/Br)O)F B684370 [2H]c1c(c(c(c(c1OC[C@H](/C=C/Br)O)[2H])[2H])F)[2H] B684372 CC(=O)c1ccc(cc1Br)F B684375 c1cc(c(c(c1)Br)N)F B684380 c1cc(c(cc1Br)CC2CNC2)F B684385 COc1ccc(c(c1)F)Br B684390 CC(C)(CBr)F B684395 c1c[nH]c2c1c(cc(c2)F)Br B684400 c1ccc(cc1)c2ccc(cc2F)Br B684405 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B684410 C(CCC(=O)O)CCBr B684415 CC(=O)CCCCBr B684420 C1CNC(=O)c2c(c(c([nH]2)Br)Br)C1c3c(nc([nH]3)N)Br B684425 C(CCCBr)CCN.[Br] B684430 CC[N+](CC)(CC)CCCCCCBr.[Br-] B684435 c1cc(cc(c1)O)C(=O)CBr B684440 c1cc(c(cc1Br)C=O)F B684525 Cc1c(c(n(n1)C)NC(=O)CBr)C(=O)c2ccccc2F B684530 c1cc2c(cc[nH]2)cc1Br B684540 c1ccc2c(c1)CC(C2)Br B684600 c1cc2c(cc1Br)CCN2 B684610 c1cc(cc2c1cc(cc2)Br)O[C@@H]3[C@H](C([C@H](C(O3)CO)O)O)O B685975 Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)Br B685985 c1cc(ncc1C(=O)O)Br B686000 CCOC(=O)c1ccc(nc1)Br B686010 [2H]c1c(c(c(c(c1[2H])[N+](=O)[O-])Br)[2H])[2H] B686177 [2H]c1c(c(c(c(c1[N+](=O)[O-])[2H])[2H])Br)[2H] B686179 c1cc(cc(c1)Br)[N+](=O)[O-] B686185 [2H]c1c(c(c(c(c1[2H])Br)[2H])[N+](=O)[O-])[2H] B686187 C(CCCCO)CCCCBr B686190 c1c(cncc1Br)C2CCCN2 B686195 c1cc(c(cc1Br)[N+](=O)[O-])C(=O)O B686225 COc1ccc(c(c1)[N+](=O)[O-])/C=C/c2ccccc2Br B686240 COc1ccc(c(c1)[N+](=O)[O-])/C=C\c2ccccc2Br B686241 c1cc(c(cc1O)Br)[N+](=O)[O-] B686255 c1cc(c(cc1Br)O)[N+](=O)[O-] B686258 c1cc(ncc1[N+](=O)[O-])Br B686260 c1c(c[nH]c(=O)c1[N+](=O)[O-])Br B686265 C(CCCC(=O)O)CCCBr B686268 CC1(C(=C(C(N1O)(C)C)Br)C(=O)O)C B686270 c1coc(n1)Br B686275 c1cc(cc(c1)Br)C(=O)[CH-]C=O.[Na+] B686280 c1ccc2c(c1)cnn3c2nnc3Br B688348 c1cc2ncnn2cc1Br B688349 C[C@H]1[C@H]([C@H]([C@@H](C(O1)Br)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 B688350 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 B688353 CCCC[N+](CCCC)(CCCC)CCCBr.[Br-] B688355 c1cnc(cc1C(F)(F)F)Br B688375 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCBr.[Br-] B688400 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C[N+](C)(C)C.[Br-] B688500 C[N+](C)(C)CCCCCCCBr.[Br-] B688515 C[N+](C)(C)CCCCCCBr.[Br-] B688520 Cc1c(c(n(n1)C)C)Br B688540 c1c(c(=O)[nH]c(=O)[nH]1)Br B688925 COc1ccc(c(c1OC)Br)CO B688980 [2H]C([2H])([2H])Oc1c(ccc(c1Br)CO)OC B688982 COc1ccc(c(c1OC)Br)C=O B688990 COc1ccc(c(c1O)Br)C=O B689000 CCCC(C(=O)c1ccccc1)Br B689020 C(C(=O)O)(Br)I B684625 c1cc2c(cc1Br)C(=O)C(=O)N2 B684640 CC(C)c1ccc(cc1)C(=O)CBr B684650 CCN(CC)CC(=O)Nc1c(ccc(c1C)Br)C B684700 COc1ccc(cc1)C(=O)CBr B684720 Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C B684730 c1cc(c(cc1S)Br)C(=O)O B684750 COc1ccc(c(c1)Br)CCl B684755 COc1ccc(cc1)[C@H](Cc2ccc(cc2Br)OC)CO B684760 CCCC(c1c(c2ccccc2o1)Br)OC B684765 Cc1cc(ncc1Br)OC B684770 COc1ccc2cc(ccc2c1)Br B684780 COc1ccc(c2c1cccc2)Br B684785 COc1ccc(nc1Br)[N+](=O)[O-] B684790 COc1c(cc(cn1)[N+](=O)[O-])Br B684795 COc1cccc(c1)C(=O)CBr B684800 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CBr B684802 Cc1c(cnc(c1[N+](=O)[O-])OC)Br B684810 COc1c(ncc(n1)Br)N B684815 COc1cccnc1Br B684820 COc1c(cc(cc1O)Br)O B684875 CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)Br B684910 [2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)Br B684912 COc1ccc2c(c1)C(=O)C(CC2)Br B684920 c1ccc(c(c1)CC=O)Br B684925 CC(=O)OCBr B684930 Cc1ccc(cc1)C(=O)CBr B684950 [2H]C([2H])([2H])c1ccc(cc1)C(=O)CBr B684952 CC(=O)Oc1ccc2c(cc(=O)oc2c1)CBr B685000 C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)Br B685050 Cc1ccc(cc1Br)N B685100 Cc1cc(cc(c1)Br)OC B685150 c1ccc2c(c1)c(no2)CBr B685250 COC(=O)c1ccc(cc1)CBr B685260 CC(C)(CCBr)O B685265 c1ccc(c(c1)c2ccc(cc2)CBr)C(=O)N B685270 c1ccc(c(c1)c2ccc(cc2)CBr)C(=O)O B685275 c1cc(cc(c1)C(=O)O)CBr B685280 Cc1c(cccc1Br)C(=O)OC B685285 CC(=C(C(=O)OC)Br)C B685290 c1ccc(cc1)c2ccc(cc2)CBr B685295 c1ccc(cc1)C(=O)C(=O)c2ccc(cc2)CBr B685300 c1ccc(cc1)c2cccc(c2)CBr B685303 COC(=O)c1ccccc1c2ccc(cc2)CBr B685305 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)CBr B685310 [2H]c1c(c(c(c(c1CBr)[2H])[2H])c2ccccc2c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)[2H] B685312 CC(C)(C)OC(=O)N(C)CCCBr B685315 COc1ccc(c(c1)[N+](=O)[O-])Oc2ccc(cc2CBr)Cl B685320 c1cc(ccc1OCCCCCC[C@]2(C(=O)N3CCC[C@H]3C(=O)O2)CBr)Cl B685325 [2H]C1(CC1)C([2H])([2H])Br B685332 c1ccc(c(c1)C#N)c2ccc(cc2)CBr B685335 [2H]C1(C(OC(O1)(C)C)([2H])C([2H])([2H])Br)[2H] B685342 CC1(C=C(C(N1O)(C)C)CBr)C B685345 COc1cc2c(cc(=O)oc2cc1OC)CBr B685350 CC(C(=O)c1ccc2c(c1)OCO2)Br B685355 C(P(=O)(O)O)(P(=O)(O)O)Br B685360 c1cc2ccc(cc2c(c1)CBr)F B685365 C=C(CBr)c1ccc(cc1F)F B685370 c1cc(ccc1OCCCCCC[C@@](CBr)(C(=O)O)O)Cl B685375 Cc1ccc2c(c1Br)C(=O)C(=O)N2 B685380 CC(C)(C)OC(=O)c1ccccc1c2ccc(cc2)CBr B685385 c1cc2ccncc2c(c1)CBr B685390 c1ccc2c(c1)[n+](cc([n+]2[O-])CBr)[O-] B685395 COc1ccc2c(cc(=O)oc2c1)CBr B685400 c1ccc(cc1)C(=O)OC[C@H]2CO[C@](O2)(CBr)c3ccc(cc3Cl)Cl B685405 COCCCOc1cc(ccc1OC)CBr B685410 CC1(C(=C(C(N1[O])(C)C)CBr)CSS(=O)(=O)C)C B685415 Cc1c(c(=O)n(o1)COC)CBr B685420 Cc1[nH]c2ccc(cc2c(=O)n1)CBr B685430 Cc1c(ccc(n1)Br)[N+](=O)[O-] B685435 COC(=O)c1cccc(c1CBr)[N+](=O)[O-] B685445 c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(s3)CBr B685450 c1ccnc(c1)c2ccc(cc2)CBr B685455 CC(C)C(c1ccc(cc1)C(C)C(=O)O)Br B685460 c1ccn(c1)c2cccc(c2)CBr B685465 c1c([nH]c-2nc(nc(=O)c2n1)N)CBr.Br B685470 c1c(nc2c(nc(nc2n1)N)N)CBr.Br B685475 C/C(=C\Br)/CO B685485 C/C(=C\Br)/CO B685490 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CBr B685500 CC(C)C(=O)CBr B685510 c1cc2c(csc2c(c1)Cl)CBr B685515 Cn1cc(c2c1ncnc2N)Br B685530 CC(C)(C(=O)c1ccc(cc1)S(=O)(=O)C)Br B685550 [2H]C([2H])([2H])C([2H])(CCBr)C([2H])([2H])[2H] B685557 Cc1cc(ccn1)Br B685560 Cc1ccncc1Br B685565 Cc1ccc(nc1)Br B685570 [2H]C([2H])([2H])c1ccc(nc1)Br B685572 Cc1ccnc(c1)Br B685575 Cc1cc(cnc1)Br B685580 COC(=O)c1cc(cc(n1)C(=O)OC)CBr B685585 Cc1ncc(cn1)Br B685595 CS(=O)(=O)SCBr B685605 Cc1ccc(cc1)C(=O)C(C)Br B685625 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)Br B685640 [2H]C([2H])([2H])c1ccsc1Br B685787 c1cc(ncc1CBr)C(F)(F)F B685830 Cc1cc(cc(c1)C(C)(C)C#N)CBr B685860 [2H]c1c(c(c2c(c1[2H])c(c(c(c2Br)[2H])[2H])[2H])[2H])[2H] B685902 CCCC(C(=O)c1ccc2ccccc2c1)Br B685910 c1cc(cc2c1cc(cc2)Br)N B685940 CC1(C(=C(C(N1O)(C)C)Br)CSS(=O)(=O)C)C B686290 CCCC(C)Br B686315 C(CCS(=O)(=O)O)CCBr.[NaH] B686320 C(CCN)CCBr.Cl B686325 CN(C)CC[C@@H](c1ccc(cc1)Br)c2ccccn2.C(=C\C(=O)O)\C(=O)O B686335 [2H]C([2H])([2H])N(CC[C@@H](c1ccc(cc1)Br)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O B686337 C[N+](C)(C)CCCCCBr.[Br-] B686345 C#CCCCBr B686350 CN(C)CCC(c1ccc(cc1)Br)c2ccccn2.C(=C\C(=O)O)\C(=O)O B686355 c1cc(cc(c1)Br)O B686360 CC(C)(C)[Si](C)(C)Oc1cccc(c1)Br B686365 CC(=O)Oc1ccc(cc1)Br B686370 CC(=O)Oc1ccccc1Br B686375 CN(C)CCOc1ccc(cc1)Br B686380 [2H]C([2H])([2H])N(CCOc1ccc(cc1)Br)C([2H])([2H])[2H] B686382 c1ccc(cc1)OCCBr B686385 CCc1ccc(nc1)CCOc2ccc(cc2)Br B686390 [2H]c1c(c(c(c(c1OCCc2ccc(cn2)CC)[2H])[2H])Br)[2H] B686392 c1ccc2c(c1)c3cc(ccc3[nH]c2=O)Br B686395 CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)Br B686400 C(C(=O)O)(C(=O)O)Br B686410 c1ccc(c(c1)C2CCN2)Br.Cl B686420 c1cc(ccc1C2CNC2)Br B686425 C#Cc1ccccc1Br B686430 C#Cc1ccc(cc1)Br B686435 CC(=O)Cc1ccccc1Br B686440 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Br B686445 c1cc(ccc1CC(=O)O)Br B686450 CC(C)(c1ccc(cc1)Br)C(=O)O B686453 c1ccc(cc1)C2(c3ccccc3-c4c2cccc4)Br B686455 CS(=O)(=O)c1cccc(c1)Br B686460 c1ccc(cc1)C[C@H](C(=O)O)Br B686465 c1ccc(cc1)C[C@@H](C(=O)O)Br B686470 c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)Cl B686475 c1cc(ccc1C2(CC2)CO)Br B686480 CN(C)CCC(c1ccc(cc1)Br)(c2cccnc2)O B686485 [2H]C([2H])([2H])N(CCC(c1ccc(cc1)Br)(c2cccnc2)O)C([2H])([2H])[2H] B686487 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Br)C(=O)OCC)C)C B686495 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2ccccc2Br)C(=O)OC([2H])([2H])C([2H])([2H])[2H])C)C B686497 CCO/C=C/C(=O)Nc1ccc(cc1)Br B686500 c1cc(cc(c1)Br)NN.Cl B686505 COC(C/N=C/c1cccc(c1)Br)OC B686510 COc1ccc(c(c1)NC=O)CCc2ccccc2Br B686515 c1ccc(cc1)/C=C/C(=O)Nc2ccc(cc2)Br B686520 c1cc(ccc1CC2CCCCCN2)Br.Cl B686525 CCOC(=O)c1ccc(cc1)N2CCN(CC2)Cc3ccccc3Br B686530 [2H]C1(C(N(C(C(N1Cc2ccccc2Br)([2H])[2H])([2H])[2H])c3ccc(cc3)C(=O)OCC)([2H])[2H])[2H] B686532 c1ccc(c(c1)CCO)Br B686535 c1cc(cc(c1)Br)CN2CNC(=S)NC2 B686540 c1cc(cc(c1)Br)c2ccnc3n2ncc3C#N B686550 c1cc(cc(c1)Br)CC2CNC2 B686555 c1cc(ccc1CC2CNC2)Br B686560 c1cc(cc(c1)Br)N2CCNCC2 B686565 c1cc2c(cc1Br)COC2=O B686570 c1cc(c(nc1)C(=O)[O-])Br.[Na+] B686600 c1cnc(cc1Br)C(=O)O B686610 CCCc1ccc(cc1)c2ccc(cc2)Br B686630 CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)Br)O)C)C)O B686640 CCN(CC)CCNC(=O)c1cc(c(cc1OC)N)Br B686645 [2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCCN(CC)CC)Br)N B686647 C(CO)CBr B686650 C(C(CBr)O)O B686655 [2H]C([2H])(C([2H])(C([2H])([2H])Br)O)O B686657 CC(=O)SCCCBr B686660 C(C(CO)Br)O B686665 [2H]C([2H])(C(C([2H])([2H])O)Br)O B686667 C[C@@H](C(=O)O)Br B686670 [2H]C([2H])([2H])C([2H])([13C](=O)O)Br B686672 CC(C(=O)OCc1ccccc1)Br B686675 C1CC(=O)N(C1=O)OC(=O)CCBr B686680 B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CCCBr B686685 CC(C(=O)c1ccccc1)Br B686690 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(C)Br)[2H])[2H] B686692 c1cc(cc2c1ccc(=O)[nH]2)OCCCBr B686695 c1ccc\2c(c1)CC(=O)c3ccccc3/C2=C\CCBr B686700 c1ccc\2c(c1)CC(c3ccccc3/C2=C\CCBr)O B686705 c1cc(ccc1c2coc3cc(ccc3c2=O)OCCCBr)O B686710 c1cc(cnc1)CCCBr.Br B686715 CCCC(CCC)(C(=O)OCC)Br B686720 c1cc[15n]c(c1)Br B686727 Cc1ccc(c(c1)OCCCBr)C B686730 c1cnccc1Br.Cl B686735 c1cc(cnc1)Br B686740 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCBr B686745 c1cc(ncc1Br)C#N B686750 c1cnc(cc1Br)C#N B686753 c1cc(nc(c1)Br)C#N B686755 c1cc(nc(c1)Br)C=O B686760 c1cc(ncc1C=O)Br B686763 c1ccc2c(c1)N(c3ccccc3S2)CCCBr B686765 c1cc(c(nc1)C(=O)O)Br B686770 C1=CC(=CN(=C1)O)Br B686775 c1cc(c[n+](c1)[O-])Br B686780 c1cnncc1Br.Br B686785 CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)Br B686790 c1cc(nc(c1)Br)CCO B686800 c1cc(nc(c1)Br)CO B686810 CNC[C@@H](c1cccc(c1Br)O)O.Cl B686815 CNCC(c1ccc(c(c1)O)Br)O.Cl B686820 CNCC(c1cc(ccc1Br)O)O.Cl B686825 CNC[C@@H](c1cc(ccc1Br)O)O.Cl B686830 CNC[C@@H](c1ccc(c(c1)O)Br)O.Cl B686835 CN(CCO)c1ccc(cn1)Br B686840 c1c(cncn1)Br B686855 c1c(c[nH]c1C=O)Br B686860 c1cc(ccc1C(=O)CBr)S(=O)(=O)N2CCCC2 B686865 c1c(cn[nH]1)Br B686870 c1ccc2c(c1)cc(cn2)Br B686875 c1cc2cc(ccc2nc1)Br B686880 c1cc(cc2c1ccnc2)Br B686885 c1cnc(cn1)C(=O)CBr B686900 c1ccn2c(c1)nn(c2=O)CCCBr B686920 C(C(=O)C(=O)O)Br B686930 c1cc(c(c2c1nccn2)Br)NC(=S)N B686940 c1cc(=O)[nH]c2c1cc(cc2)Br B686950 c1cc2c(cc1Br)ncc(n2)C(=O)O B686960 c1cc(c(cc1Br)O)C=O B686970 c1cc(c(cc1Br)C=O)O B686975 c1cc2c(cc1Br)C(=O)OC23CCNCC3 B686985 C=Cc1ccccc1Br B686990 C1CC(=O)N(C1=O)Br B686995 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B687000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B688000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B688020 C#CCO[C@H]1[C@@H](CCO1)Br B688040 CC(C)[Si]1(OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(=O)[nH]c(n4)N)nc3Br)O[Si](O1)(C(C)C)C(C)C)C(C)C B688075 CC1(C(=C(C(N1O)(C)C)Br)COS(=O)(=O)C)C B688100 c1csc2c1cc(c(n2)CO)Br B688125 Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Br B688150 c1cc(sc1C2CCCCCN2)Br.Cl B688155 c1csc(n1)Br B688160 CSc1cccc(c1)Br B688165 C1(C(=O)NC(=O)S1)Br B688170 c1cc(sc1C(=O)O)Br B688175 c1c(c(cs1)Br)S(=O)(=O)Cl B688180 c1cc(sc1)Br B688185 c1c(nc(s1)N)Br B688190 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2Br)OC(=O)C)OC(=O)C B688285 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)Br)OC(=O)C)OC(=O)C B688300 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)OC(=O)C)OC(=O)C B688325 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)OC(=O)C)OC(=O)C B688330 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B688335 CC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br B688345 COc1ccc(cc1)/C=C/Br B689075 c1c(c(=O)[nH]c(=O)[nH]1)/C=C/Br B689125 c1c(cc(c(c1Br)O)Br)C#N B689175 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Br)O)F B689220 [2H]C1(CC(CC(N1CCCC(=O)c2ccc(cc2)F)([2H])[2H])(c3ccc(cc3)Br)O)[2H] B689222 c1ccc(cc1)c2c(c(=O)nc([nH]2)N)Br B689250 Cc1nnc2n1-c3c(cc(s3)Br)C(=NC2)c4ccccc4Cl B689280 COc1cc2c(cc1OC)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6 B689325 CC(C)(C(=O)N[C@@H](CS)C(=O)O)S B689375 COc1cc(c(c(c1)OC)C(=O)CCCN2CCCC2)OC.Cl B689400 C.CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl B689450 CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689490 [2H]C1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B689492 CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689500 CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689505 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4c5ccc(=O)oc5)O)C)O B689510 CC(=C(C)/C=N/Nc1c2ccccc2cnn1)C B689515 CCCCNC(=N)NC(=N)N.Cl B689520 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=N)NC(=N)N B689522 CN(C)CCc1c[nH]c2c1cc(cc2)O B689525 [2H]C([2H])(c1c[nH]c2c1cc(cc2)O)C([2H])([2H])N(C)C B689527 CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl B689530 CCc1cccc2c1oc(c2)[C@H](CNC(C)(C)C)O.Cl B689535 CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O.[Cl] B689540 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc2cccc(c2o1)CC)O.Cl B689542 CCCCN1CCCC[C@@H]1C(=O)Nc2c(cccc2C)C.Cl B689545 CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C B689546 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O B689550 [2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)NCCCC)[2H])[2H] B689552 CC(C)(C)C1CCC(CC1)CC2=C(C(=O)c3ccccc3C2=O)O B689555 CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C.Cl B689560 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCCC1C(=O)Nc2c(cccc2C)C.Cl B689562 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)OCCCC B689565 [2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)OCCCC)NCCCC)[2H])[2H] B689567 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)OC)O.Cl B689570 [2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1C(C)(C(C)(C)C)O)[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O.Cl B689572 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N@@+]([C@@H]3Cc6c5c(c(cc6)O)O4)(CC7CC7)[O-])OC)O B689575 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H](C([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)O B689580 [2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1C(C)(C(C)(C)C)O)[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O[C@H]8[C@@H](C([C@@H]([C@H](O8)C(=O)O)O)O)O B689582 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H](C([C@@H]([C@H](O7)C(=O)OC)O)O)O)O4)CC8CC8)OC)O B689590 C[C@]1(C(OC23C1CC4([C@H]5Cc6c7c(c(cc6)O)O[C@@H]2[C@]74CCN5CC8CC8)CC3)(C)C)C B689595 [2H]C([2H])([2H])NC(CC)C(=O)c1ccccc1.Cl B689602 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B689605 CCCC[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)[O-] B689610 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)[O-] B689612 C[C@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O B689615 C[C@@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B689620 CC(C(=O)c1cccc(c1)Cl)NC(C)(C)C.Cl B689625 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1cccc(c1)Cl.Cl B689627 CC(C)(C)NCC(COc1cccc2c1CCCC2=O)O.Cl B689660 CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6.CC(=O)O B689740 c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O.Cl B689850 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4ncccn4.C B689852 CS(=O)(=O)OCCCCOS(=O)(=O)C B689900 [2H]C([2H])(C([2H])([2H])C([2H])([2H])OS(=O)(=O)C)C([2H])([2H])OS(=O)(=O)C B689902 CCC(C)C1(C(=O)NC(=O)NC1=O)CC B689920 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C(C)CC B689922 CCCCOCN(c1c(cccc1CC)CC)C(=O)CCl B689925 CCCCN(CCCC)CCNc1nc(no1)c2ccccc2 B689930 [2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)Nc1nc(no1)c2ccccc2 B689932 C1C(C(=O)N(C1=O)OC(=O)CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] B689935 C=CCCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O.Cl B689940 [2H]C(=C([2H])C([2H])([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)[2H].Cl B689942 CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689950 CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689955 CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689960 [2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O B689962 CCC(c1ccc(cc1)CC(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B689965 [2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B689967 B1(Oc2ccccc2O1)/C=C/CC B689975 CC(C)(C)NC[C@H](COc1c(nsn1)N2CCOCC2)OC(=O)/C=C/C(=O)O B689980 CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)OC(=O)/C=C/C(=O)O B689985 C=CCCO B689990 CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N B690000 C=C/C=C/NC(=O)OCC(Cl)(Cl)Cl B690015 CCC(c1ccccc1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O B690025 [2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O B690027 C[13C](=O)[13C](=O)C B690032 CC(C)CC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl B690035 [2H]C1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] B690037 CC(CC1c2ccccc2CCc3c1cccc3)CN(C)C B690050 [2H]C([2H])([2H])N(CC(C)CC1c2ccccc2CCc3c1cccc3)C([2H])([2H])[2H] B690052 C[C@H](CCc1ccc(cc1)O)NC[C@@H](c2ccc(cc2)O)O.Cl B690065 [2H]c1c(c(c(c(c1CC[C@@H](C)NC[C@@H](c2ccc(cc2)O)O)[2H])[2H])O)[2H].Cl B690067 CCCCOc1ccc(cc1)C[N+]2(C3CCC2CC(C3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B690080 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)C[N@@+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B690082 CCOC(=O)c1ccccc1OC(=O)C(C)(C)C B690085 CC1(N([C@H](CO1)C(=O)OC)C(=O)OC(C)(C)C)C B690090 CC(C)(C)OC(=O)N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O B690095 CC(C)(C)OC(=O)N[C@@H]([C@H]1CC(=NO1)Cl)C(=O)O B690096 CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C B690100 [2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC(C)C)[2H] B690102 CCCCC1(C(=O)NC(=O)NC1=O)CC B690105 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CCCC B690107 CC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC(=NO1)Cl B690110 CC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(=NO1)Cl B690111 CC1(N([C@H](CO1)C=C)C(=O)OC(C)(C)C)C B690115 CC1(N([C@@H](CO1)C=O)C(=O)OC(C)(C)C)C B690120 c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O B690125 COc1ccc(c(c1)OC)C(=O)/C=C/c2ccc(c(c2)OC)OC B690130 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)OC(=O)C(C)(C)C)OCc5ccccc5 B690135 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCS(=O)(=O)CCOC(=O)CCC(=O)O B690140 CS(=O)(=O)SCCCCSS(=O)(=O)C B690150 CCCCNCCCCCC(=O)Nc1c(cccc1C)C B690155 CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCc2ccncc2)C(=O)O B690160 C=CC(CO)O B690165 CCC(C)(C#N)O B690170 CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+](=O)[O-])C[C@@H](c2ccccc2)O B690175 CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)C[C@@H](c2ccccc2)O B690180 CCCC(=O)O[C@@H]1[C@H]2C([C@H](O1)C3COC(O3)(C)C)OC(O2)(C)C B690185 CCCC(=O)O[C@@H]1[C@H]2C([C@H](O1)C(CO)O)OC(O2)(C)C B690190 CC(C)(C)c1ccc(cc1)CN(C)Cc2cccc3c2cccc3.Cl B690195 C/C=C/C(=O)N B690200 C=CCC(=O)N B690205 C=CCCOP(=O)(N)N(CCCl)CCCl B690208 [2H]C([2H])(C([2H])([2H])Cl)N(CCCl)P(=O)(N)OCCC=C B690209 B(/C=C/CC)(O)O B690210 CC1=C(C(CCC1)(C)C)/C=C/C#C B690215 CC(C)(C)OC(=O)NCCc1cc(c(c(c1)I)O)I B690555 CC(C)(C)OC(=O)NCCc1ccc(c(c1)I)O B690560 CC(/C(=N/OC(=O)NC)/C)SC B690565 [2H]C([2H])([2H])NC(=O)O/N=C(\C)/C(C)SC B690567 CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)Oc2ccc(cc2I)CCNC(=O)OC(C)(C)C B690570 CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C B690575 CC(C)(C)OC(=O)NCCc1ccc(cc1)O B690580 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOCCOC1CCCCO1 B690587 CCCCOc1ccc(cc1)O B690590 CC(C)(C)OC(=O)N1CCCCC1=O B690595 CC(C)(C)C1CCCNCC1 B690600 CCCCc1[nH]c(c(n1)COCc2ccccc2)Cl B690605 [2H]C([2H])([2H])CCCc1[nH]c(c(n1)COCc2ccccc2)Cl B690607 CC(C)(C)c1cc2nnc(n2nc1Cl)c3cc(ccc3F)F B690610 CCCCc1nc(c2n1Cc3ccc(cc3C2)c4ccccc4C#N)Cl B690615 CC(C)(C)OC(=O)COCCCl B690620 CC(C)(C)OC(=O)N(CCc1ccc(cc1)NC(=O)Cc2csc(n2)N)C[C@@H](c3ccccc3)O B690220 CC(C)(C)OC(=O)NC1CCC(CC1)O B690225 [2H]C1(CC(CC(C1([2H])NC(=O)OC(C)(C)C)([2H])[2H])O)[2H] B690227 CCCCSCCC(C(=O)O)N B690230 CCCCSCC[C@H](C(=O)O)N B690234 CCCCSCC[C@@H](C(=O)O)N B690235 CCCCS(=O)CC[C@H](C(=O)O)N B690238 CCCCS(=O)CC[C@@H](C(=O)O)N B690240 CCCCS(=O)CCC(C(=O)O)N B690245 CCCCS(=N)(=O)CCC(C(=O)O)N B690250 CC(C)(C)OC(=O)N/C(=C\c1cc(c(cc1F)OC)OC)/C(=O)OC B690255 CCCCS(=N)(=O)CC[C@H](C(=O)O)N B690265 CCCCS(=N)(=O)CC[C@@H](C(=O)O)N B690270 [2H][C@@](C([2H])([2H])Cc1ccc(cc1)Cl)(C([2H])([2H])n2ccnc2)Sc3c(cccc3Cl)Cl.[N+](=O)(O)[O-] B690272 c1cc(c(c(c1)Cl)SC(CCc2ccc(cc2)Cl)Cn3ccnc3)Cl.[N+](=O)(O)[O-] B690273 CC(C)(C)OC(=O)NCCNc1cc2c(cc1Cl)n(cc(c2=O)C(=O)O)C3CC3 B690275 C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B690278 CC(C)(C)OC(=O)Nc1ccc(c(c1)C(=O)O)O B690280 CC(C)(C)OC(=O)NCc1ccccc1O B690285 CC(C)(C)OC(=O)N1CCCCC1c2cccnc2 B690288 CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3nc(nc4N)NCCc5ccc(cc5)CCC(=O)OC(C)(C)C)OC(O2)(C)C B690290 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)[n+]2cccc(c2)C3CCCCN3C(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-] B690293 CC(C)(C)OC(=O)Nc1c(c(c(c(c1F)F)N=[N+]=[N-])F)F B690295 CC(C)(C)OC(=O)[C@@H]1CCN1CC[C@@H](C(=O)OC(C)(C)C)NCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690300 CC(C)(C)OC(=O)[C@@H]1CCN1CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690303 CC(C)(C)OC(=O)NCCNc1cc2c(cc1F)c(=O)c(cn2C3CC3)C(=O)O B690305 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)CN(CCCO)C(=O)OC(C)(C)C B690310 Cc1cc(ccc1O)OC(=O)OC(C)(C)C B690315 CC(=N)NCc1cccc(c1)CNC(=O)OC(C)(C)C.Cl B690320 CC(=O)O[C@H](CC(=O)N[C@@H](CC(=O)N1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690322 CC(=O)O[C@H](CC(=S)N[C@@H](CC(=S)N1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690323 CC(=O)O[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690325 CC(C)(C)Nc1nc(nc(n1)Cl)NC2CC2 B690326 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)Cl)NC2CC2 B690327 CC(C)(C)Nc1nc(nc(n1)Cl)Cl B690328 CC(C)(C)C(=O)Oc1cc(cc(c1)OC(=O)C(C)(C)C)C(=O)CNC(C)(C)C.Cl B690330 CC(C)(C)OC(=O)NCc1cccc(c1)CN B690335 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC2CC2 B690342 CC(C)(C)OC(=O)Oc1ccc(cc1)CSS(=O)(=O)C B690345 CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N B690350 CC(C)(C)OC(=O)Oc1ccc(cc1)CO B690355 CC(C)(C)OC(=O)N1CC[N+](CC1)(CCOCCO)[O-] B690360 CC(C)(C)OC(=O)N1CCN(CC1)C2=Nc3ccccc3Oc4c2cc(cc4)Cl B690365 [2H]C1(C(N(C(C(N1C2=Nc3ccccc3Oc4c2cc(cc4)Cl)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B690367 CC(C)(C)OC(=O)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N B690370 [2H]C([2H])([2H])C(c1cc(cc(c1O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])OC)(C([2H])([2H])[2H])C([2H])([2H])[2H] B690372 CC(C)(C)c1ccc(cc1)/C=C/C(=O)O B690373 CC(C)(C)c1ccc(cc1)CCC(=O)O B690375 CC(C)(C)c1ccc(cc1)CCC(=O)OC B690380 CC(C)C[C@@H](CC(=O)OC)CNC(=O)OC(C)(C)C B690385 CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)O B690390 CC(C)[C@@H]([C@]1(CO[C@@H](N1Cc2ccccc2)C(C)(C)C)C(=O)OC)O B690395 CC(C)CNC[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O B690400 CC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCc1ccccc1 B690403 CC(C)(C)OC(=O)[C@@H]1CCN1C(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690405 CC(C)(C)OC(=O)[C@H](CC=O)NC(=O)OCc1ccccc1 B690406 CC(C)(C)OC(=O)[C@@H]1CCN1C(=O)OCc2ccccc2 B690407 CC(C)(C)OC(=O)[C@H](C[C@H](CNC(=O)OCc1ccccc1)O)NC(=O)OC(C)(C)C B690410 CC(C)C/C(=N/O)/c1ccccc1NC(=O)OC(C)(C)C B690415 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)OC B690420 CC1(O[C@@H]2[C@H](O1)[C@@H]3OC[C@H]([C@H]2OCC(CO[C@@H]4[C@H]5CO[C@H](O5)[C@@H]6[C@H]4OC(O6)(C)C)NC(=O)c7cccc(c7)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O3)C B690425 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O B690430 CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)NS)NC(=O)OC(C)(C)C B690435 CC(C)(C)OC(=O)NC(Cc1cc(c(cc1F)OC)OC)C(=O)OC B690439 CC(C)(C)OC(=O)N[C@@H](Cc1cc(c(cc1F)OC)OC)C(=O)OC B690440 CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)OC)NC(=O)OC(C)(C)C B690445 CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCBr)I B690450 [2H]C([2H])(C([2H])([2H])Br)Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I B690452 CC(C)(C)OC(=O)CCCCCOP(=O)(O)OCCBr B690453 CC(C)(C)OC(=O)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2 B690455 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)C(C)Br B690462 CCCCc1nc(c(n1Cc2ccc(cc2)Br)CO)Cl B690465 CC(C)(C)NC(=O)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C B690470 CC(C)(C)OC(=O)N[C@H](CO)C(=O)OC B690475 CC(OC(=O)N[C@H]1CC[C@H](CC1)OC2OCCCC2)(C)C B690480 [2H][C@]1(C(C[C@H](CC1([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H])OC2OCCCC2 B690482 CC(OC(=O)N[C@H]1CC[C@@H](CC1)OC2OCCCC2)(C)C B690483 [2H][C@]1(C(C[C@@H](CC1([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H])OC2OCCCC2 B690484 CC(C)(C)OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl B690485 [2H]C1(C(N(C(C(N1CCOCC(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] B690487 CC(C)(C)OC(=O)COCCN1CCN(CC1)[C@@H](c2ccccc2)c3ccc(cc3)Cl B690490 CC(C)(C)OC(=O)N(c1cccc(c1)OC)N B690495 CCCCN1CC([C@H]([C@H](C1CO)O)O)O B690500 CC(=O)c1ccc(cc1)C(C)(C)C B690505 CCOc1ccccc1OCC2CN(CCO2)C(=O)OC(C)(C)C B690510 CCCCc1cc2cc(ccc2o1)N.Cl B690515 CC(C)(C)OC(=O)NCCOc1cccc(c1)OC B690520 Cc1ccccc1NC(=O)OC(C)(C)C B690525 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C(=O)OC(C)(C)C)F)C(=O)O B690530 CC(C)(C)OC(=O)Nc1ccccc1 B690535 CC(C)(C)OC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 B690537 Cc1cccc(c1)CN2CCN(CC2)C(=O)OC(C)(C)C B690540 [2H]C1(C(N(C(C(N1Cc2cccc(c2)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B690542 C[C@@]1(CO[C@@H]([C@@H](C1N(C)C(=O)OC(C)(C)C)O)OC2[C@@H](CC([C@H]([C@@H]2O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O B690545 c1cc2c(cc1O)[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)CC5CCC5)O B690550 [2H]C1(C[C@]2([C@H]3Cc4ccc(cc4[C@@]2(CCN3CC5CCC5)C(C1([2H])[2H])([2H])[2H])O)O)[2H] B690552 CCCCc1[nH]cc(n1)Cl B690625 CCCCc1[nH]c(c(n1)Cl)C=O B690630 [2H]C([2H])([2H])CCCc1[nH]c(c(n1)C=O)Cl B690632 B(CCCC)(O)O B690635 CCCCc1[nH]c(c(n1)CO)Cl B690640 CC(C)(C)OC(=O)NCCCl B690645 CCCCOS(=O)(=O)CCCCl B690650 CC(C)(C)OC(=O)NCCCCCC(=O)O B690655 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCNC(=O)OC(C)(C)C)O B690660 CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F B690665 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F.Cl B690667 CCCCOS(=O)(=O)c1ccccc1 B690670 CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)C B691360 CC(=C)[C@@H]1C[C@@H]2[C@@](O2)([C@@H](C1)O[Si](C)(C)C(C)(C)C)C B691365 CC[C@@H](CO[Si](C)(C)C(C)(C)C)N B691370 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO[Si](C)(C)C(C)(C)C)O)C B691375 CC1(OCCO1)CCC(=O)O[Si](C)(C)C(C)(C)C B691380 CC(C)(C)[Si](C)(C)O[C@H]1CCC(=C)/C(=C\CO)/C1 B691385 CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)O[Si](C)(C)C(C)(C)C)C(=O)OC B691390 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)OC2 B691395 CC(C)(C)OC(=O)N[C@@H](CCl)[C@@H](CCl)O[Si](C)(C)C(C)(C)C B691400 CC(C)(C)C(C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[Si](C)(C)C(C)(C)C)O4)CC7CC7)O)O B691405 CC(C(C)(C)C(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C B691410 CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C=O B691415 CC(C)(C)[Si](C)(C)O[C@@H]1CCOC1=O B691420 CC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O B691425 CC(C)c1c(c(c(c(n1)C(C)C)CO[Si](C)(C)C(C)(C)C)c2ccc(cc2)F)CO B691430 CC(C)c1c(c(c(c(n1)C(C)C)C=O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C B691435 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CO)O[Si](C)(C)C(C)(C)C B691440 CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)O B691445 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B691450 [2H]C1(C(C1(C#C)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B691457 CC(=O)[C@H](CCO)O[Si](C)(C)C(C)(C)C B691460 CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C3CO3 B691465 CC(C)(C)[Si](C)(C)OCCO B691470 CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)COC(=O)C(C)(C)C)(C)C)O B690675 CC(C(=O)c1ccc(c(c1)Cl)Cl)NC(C)(C)C.Cl B690685 [2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])NC(C)C(=O)c1ccc(c(c1)Cl)Cl.Cl B690687 CC(C(=O)c1cc(cc(c1)Cl)Cl)NC(C)(C)C.Cl B690690 [2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])NC(C)C(=O)c1cc(cc(c1)Cl)Cl.Cl B690692 CC(C)(C)OC(=O)c1ccc(cc1)Br B690695 CC(C)(C)OC(=O)/C=C/c1ccc(cc1)CC#N B690700 CCCCNc1ccc(cc1)C(=O)OCC B690705 CC([C@H]1CC[C@@H](CC1)C(=O)NC(C(=O)O)Cc2ccccc2)(C)C B690720 CCCCOS(=O)(=O)C1CC1 B690730 CCCCN1CC([C@H]([C@@H](C1CO)O)O)O.Cl B690750 CC(C)(C)[C@@H](C(=O)O)NC(=O)NC(C)(C)C B690780 CC(C)(C)[C@@H](C(=O)OCc1ccccc1)NC(=O)NC(C)(C)C B690785 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C B690787 CC1([C@@H]2C[C@H]1C(=CC2O)COC(=O)C(C)(C)C)C B690800 CC1([C@H]2CC=C([C@@H]1C2)COC(=O)C(C)(C)C)C B690815 CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O B691020 CCCCC1=NC(=O)C2(N1)CCCC2.Cl B691030 [2H]C([2H])([2H])CCCC1=NC2(CCCC2)C(=O)N1 B691032 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC1=NC2(CCCC2)C(=O)N1 B691033 CC(C)(C)OC(=O)C=[N+]=[N-] B691035 CC(C)(C)c1cc(nnc1Cl)Cl B691040 CC(C)(C)OC(=O)OC(=O)OC(C)(C)C B691045 CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I B691050 CC(C)(C)/N=C/N(C)C B691055 Cc1cc(c(c(c1CC(=O)N)C)O)C(C)(C)C B691060 CC(C)(C)NC(C)(C)C#C B691070 CC1(O[C@H](C[C@H](O1)CS(=O)(=O)c2nnnn2c3ccccc3)CC(=O)OC(C)(C)C)C B691075 CC(C)(C)[Si](C)(C)Cl B691080 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(CO)O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC B691090 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O B691095 CC(C)(C)[Si](C)(C)Oc1cc(cc2c1NC(=O)OC2(C#CC3CC3)C(F)(F)F)Cl B691100 [2H]C1(C(C1([2H])[2H])C#CC2(c3cc(cc(c3NC(=O)O2)O[Si](C)(C)C(C)(C)C)Cl)C(F)(F)F)[2H] B691102 CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C=O B691105 CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C(=O)O B691110 CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C(=O)OCC B691113 CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)CO B691115 CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)COC(=O)C B691120 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691125 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[Si](C)(C)C(C)(C)C)C)O)C)O B691130 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)O)C)O B691135 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O[Si](C)(C)C(C)(C)C)C(=O)OC B691140 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[Si](C)(C)C(C)(C)C B691150 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O B691155 CCC(C)(C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2O)Cl B691160 CCC(C)(C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2=O)Cl B691165 CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H]([C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)C B691170 CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H]([C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)/C=N/O B691175 CC(C)CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C B691185 [2H]C([2H])([2H])C([2H])(CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)C([2H])([2H])[2H] B691187 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O B691190 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[Si](C)(C)C(C)(C)C B691195 CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C B691200 [2H]C1(C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)O[Si](C)(C)C(C)(C)C)[2H] B691212 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=C[C@@H](C4)O[Si](C)(C)C(C)(C)C)C B691220 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C B691230 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[Si](C)(C)C(C)(C)C B691240 CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5 B691250 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O[Si](C)(C)C(C)(C)C B691255 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)C)O[Si](C)(C)C(C)(C)C B691260 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C/C(=C/CO[Si](C)(C)C(C)(C)C)/C)/C B691270 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691275 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691280 CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO[Si](C)(C)C(C)(C)C B691285 CC1=C2[C@H](C(=O)[C@@]3([C@@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B691290 Cc1c(ccnc1CS(=O)c2[nH]c3cc(ccc3n2)O[Si](C)(C)C(C)(C)C)OCC(F)(F)F B691295 CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B691300 CC(C)(C)[Si](C)(C)OCC1[C@H]([C@@H](C([C@@H](O1)O)O)O)O B691305 CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F B691310 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)O B691315 CC(C)(C)[Si](C)(C)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C B691320 CC(C)(C)[Si](C)(C)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=CC4=O)C B691325 Cc1c(ccnc1CO)O[Si](C)(C)C(C)(C)C B691330 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5 B691335 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[Si](C)(C)C(C)(C)C)O)N5CCCCC5 B691337 CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)sc(c2C(=O)c3ccc(cc3)OCCN4CCCCC4)c5ccc(cc5)O B691340 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O[Si](C)(C)C(C)(C)C)N5CCCCC5 B691342 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O)O)O[Si](C)(C)C(C)(C)C)C(=O)OC2 B691345 C/C(=C\CO[Si](C)(C)C(C)(C)C)/I B691350 CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)C B691355 [2H]C([2H])(C([2H])([2H])O[Si](C)(C)C(C)(C)C)O B691472 [2H]C([2H])(C([2H])([2H])O[Si](C)(C)C(C)(C)C)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C B691477 CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O B691480 CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O B691485 CC(C)(C)[Si](C)(C)OCc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O B691490 CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc([nH]2)S B691495 CC(C)(C)[Si](C)(C)OC(CC(=O)NC)CC(=O)O B691500 CC(C)(C)[Si](C)(C)OC(CC(=O)NC)CC(=O)OC B691505 C[C@@H](CCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C B691510 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/C=O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C B691512 Cc1nc(cs1)/C=C(\C)/[C@H](CCO)O[Si](C)(C)C(C)(C)C B691515 C[C@@H](CO)CO[Si](C)(C)C(C)(C)C B691520 Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)CO[Si](C)(C)C(C)(C)C B691525 [2H]C([2H])([2H])C(CO[Si](C)(C)C(C)(C)C)(C([2H])([2H])[2H])OC(=O)C B691527 [2H]C([2H])([2H])C(CO[Si](C)(C)C(C)(C)C)(C([2H])([2H])[2H])O B691532 CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)[N+](=O)[O-])N B691535 CC(C)(C)[Si](C)(C)OCc1ccncc1 B691540 CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)CO B691545 CCOC(=O)CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C B691550 CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C B691555 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO[Si](C)(C)C(C)(C)C)O B691560 CC(C)(C)[Si](C)(C)OCCC=O B691565 CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(=O)N[C@@H](CC)CO[Si](C)(C)C(C)(C)C B691570 CC(C)(C)[Si](C)(C)OCCCO B691575 Cc1ccc(cc1)S(=O)(=O)OC(CO[Si](C)(C)C(C)(C)C)C#N B691580 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C B691585 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O[Si](C)(C)C(C)(C)C)C)O B691590 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O[Si](C)(C)C(C)(C)C B691595 CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3 B691600 Cc1nc(cs1)CC(C)[C@H](C/C=C(/C)\CCC[C@H](C)CO)O[Si](C)(C)C(C)(C)C B691605 C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C B691610 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@]2([C@@H](/C=C\3/C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)O)O)C B691615 CC(C)(C)[Si](C)(C)OC1(CC1)C#C[Si](C)(C)C B691620 [2H]C1(C(C1(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B691622 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)CS3(=O)=O)C B691625 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C B691630 C[C@]12CC[C@H]3[C@@]1(C3)[C@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@H](C[C@@H]5O[Si](C)(C)C(C)(C)C)O)C)OC B691635 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCCC(=O)OC)O)O B691640 CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C(CNCC(C3CCc4cc(ccc4O3)F)O)O B691645 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(=S)Oc6ccccc6 B691650 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)OC)O)OC4CCCCO4 B691655 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCCC(=O)OC)O)OC4CCCCO4 B691660 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@H]4[C@@H]3CC(=O)O4)OC5CCCCO5 B691665 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@H]4[C@@H]3CC(=O)O4)O B691670 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O[Si](C)(C)C(C)(C)C B691675 CC(C)(C)C1OCC(CO1)C(=O)OC B691680 C[C@H](C1CCC(CC1)CO[Si](C)(C)C(C)(C)C)N B691685 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO[Si](C)(C)C(C)(C)C)\C)/C B691690 CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CO B691695 CC(c1ccccc1)/N=C/C2CCC(CC2)CO[Si](C)(C)C(C)(C)C B691700 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCC(C(=O)OC)[Se]c4ccccc4)O)OC5CCCCO5 B691705 CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O B691710 CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O[Si](c3ccccc3)(c4ccccc4)C(C)(C)C)(CO)O)C B691715 CC1(O[C@@H]2[C@H]([C@H]3[C@H]([C@@H]([C@@H]2O1)O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)OC(O3)(C)C)O)C B691720 CCOC(=O)N1[C@H](OC(=O)[C@@]1(C)Cc2c[nH]c3c2cccc3)C(C)(C)C B691725 CCOC(=O)N1[C@@H](C(=O)O[C@@H]1C(C)(C)C)Cc2c[nH]c3c2cccc3 B691730 CCOC(C)O[C@H]1[C@H]2[C@H]([C@@H]([C@H]3[C@@H]1OC(O3)(C)C)O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)OC(O2)(C)C B691735 CCc1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C B691740 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)CC B691742 CC(C)(C)CCSS(=O)(=O)C B691745 CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)O B691750 CC(C)c1c(c(nc(n1)N)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691753 CC(C)c1c(c(nc(n1)O)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691755 CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O B691758 CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691759 CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691760 CCCCn1c2ccccc2c(c(c1=O)C3=NS(=O)(=O)c4ccccc4N3)O B691765 [Li+].CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)([O-])O[C@H]6[C@H]7[C@H]([C@@H]([C@@H]8[C@H]6OC(O8)(C)C)OC(C)OCC)OC(O7)(C)C B691770 CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F B691775 CCCCC1(C(=O)NC(=O)N(C1=O)O)CC B691780 Cc1cc2c(nc(nc2s1)NCC(=O)OC(C)(C)C)c3ccccc3F B691790 CC1(O[C@H](C[C@@H](O1)C=O)CC(=O)OC(C)(C)C)C B691795 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=O B691800 [2H]C([2H])([2H])CCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=O B691802 CC(C)(C)[C@H]1N([C@@H](CO1)C(=O)OC)C=O B691810 CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)C(C)C)O[Si](c6ccccc6)(c7ccccc7)C(C)(C)C B691815 CC(C)c1cc(cc(c1O)C(C)C)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C B691820 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C B691830 CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C B691850 CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)C(F)(F)F B691870 CC(C)(C)[Si](C)(C)OCc1ccc(cc1)Br B691880 CC(=O)SCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C B691925 CCCCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)O B691950 CCCCOC(=O)CCCCCO B691960 CCCCc1[nH]cc(n1)O B691980 CC(c1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C)O B691990 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)C(C)O B691992 CC(C)(C)OC(=O)CCCCCO B691995 CCCCc1[nH]c(cn1)CO B692000 [2H]C([2H])([2H])C([2H])([2H])C(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O B692027 CCCCc1ccc(cc1)C(C)C(=O)O B692200 [2H]C([2H])([2H])C(c1ccc(cc1)CCCC)C(=O)O B692202 CCC/C=C\1/c2ccccc2C(=O)O1 B692250 [2H]/C(=C/1\c2ccccc2C(=O)O1)/C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B692252 CCCCn1ccnc1 B692300 CCCCn1ccc2c1cccc2 B692380 CC(C)(C)OC(=O)c1ccc(cc1)I B692420 CC(C)OC(C)(C)C B692450 CCCCn1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl B692500 CCCCc1cc2cc(ccc2o1)NS(=O)(=O)C B693000 CCCCSS(=O)(=O)C B693275 CCC(C)c1c(nccn1)OC B693285 CCCCc1ccc(c(c1)C)N B693290 [2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)O B693297 [2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)OC=C B693302 [2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)OC B693307 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC B693320 [2H]C([2H])([2H])C([2H])([2H])C(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC B693322 B(c1ccc2ccc(cc2c1)CCCC)(O)O B693350 CCCCO[N+](=O)[O-] B693400 CCCCc1cc2cc(ccc2o1)[N+](=O)[O-] B693475 CC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C B693480 Cc1ccc(cc1)S(=O)(=O)O[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC B693485 CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Cc2cc(c(cc2C(=O)O)OC)OC B693490 CC(C)(C)OC(=O)N1CCc2c1ccc(c2)c3cn(c4c3c(ncn4)N)C B693495 CCC1(CCCN1C(=O)OC(C)(C)C)O B693500 CC(C)(C)OC(=O)N1CCCC1([13CH2][13CH3])O B693502 C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B693505 CC(CO)NC(=O)OC(C)(C)C B693510 CC(COC)NC(=O)OC(C)(C)C B693515 [2H]C([2H])([2H])OCC(C)NC(=O)OC(C)(C)C B693517 CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B693520 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OC(C)(C)C)O B693525 CC(C)(C)OC(=O)NCCOc1ccc(cc1OC)OCc2ccccc2 B693530 CC(=O)Oc1ccc(c(c1)OC)OCCNC(=O)OC(C)(C)C B693535 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)c6ccccc6)O)O B693542 CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc2c(c1Br)nccn2 B693545 CCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 B693550 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 B693552 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)Oc1ccc(cc1)[N+](=O)[O-] B693577 CCCCN1C2CC(CC1C3C2O3)OC(=O)[C@H](CO)c4ccccc4.Cl B693580 CCCCN1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 B693585 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4C#N B693590 [2H]c1c(c(c(nc1[2H])[2H])[2H])NC(=O)C2CC[C@@H](CC2)[C@H](NC(=O)OC(C)(C)C)C B693597 CCCCOC(=O)c1ccc(cc1)O B693600 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)c1ccc(cc1)O B693602 CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccc(cc1)OCc2ccccc2 B693605 CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)OCc2ccccc2 B693610 CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)O B693615 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)NC(=O)OC(C)(C)C)C(C)C B693620 CCCCNP(=O)(Cl)Cl B693640 CCCCNP(=O)(N)N B693650 CC(C)(C)OC(=O)CCCCCOP(=O)([O-])OCC[N+](C)(C)C B693670 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cccc(c1)O B693727 CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B693750 CC(C)(C)S(C)(C)N.O B693760 CCCC(=O)N1C(COC1=O)Cc2ccccc2 B693775 CCCC[N+](C)(C)C.[Cl-] B693780 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C C175045 CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C C175050 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C C175060 CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)N)C C175065 CCCC(=O)Nc1ccc(c(c1)C(=O)O)O B693800 [Li+].[Li+].CCCC(=O)OP(=O)([O-])[O-] B693820 CC(C)(C)Sc1cccnc1C(=O)O B693860 CCCCNP(=S)(N)N B694000 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)C)O[Si](C)(C)C(C)(C)C B699115 CC(C)(C)c1cc(ccc1OC)O B699300 [2H]C([2H])([2H])Oc1ccc(cc1C(C)(C)C)O B699302 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OC)C(=O)OC B699920 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC)C(=O)OC B699940 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC B750100 C[C@@H](C#C)N B754500 [2H]C([2H])(C#CC([2H])([2H])O)O B755007 [2H]C([2H])(C#CC([2H])([2H])OC(=O)C)OC(=O)C B755027 CS(=O)(=O)SCCC#C B755300 Cc1ccc(cc1)S(=O)(=O)OCCC#C B755400 C[N+](C)(C)CCCC(=O)[O-].Cl B759500 [2H]C([2H])([2H])[N+](CCCC(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H].Cl B759502 [2H]C1(CCC(=O)O1)[2H] B760100 [2H]C1(C(=O)OC(C1([2H])[2H])([2H])[2H])[2H] B760102 C1CC(=O)OC1 B760995 CCOC(=O)C(CCCC#N)C(=O)OCC B802500 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCC)O)O B802515 CCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O B802525 CCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC)O B802550 CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O B802600 CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] B802700 CCN1CCC[C@H]1CNC(=O)c2c(cccc2OC)O B802800 CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)C=C B806945 CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccccc2 B807000 [2H]c1c(c(c(c(c1[2H])[2H])NC2CCN(CC2)C(=O)OC(C)(C)C)[2H])[2H] B807002 CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)CCO B809000 CCCC(=O)SCC[N+](C)(C)C.[I-] B810500 C[C@H]1[C@@](CCN(C1)[C@H]2CC[C@@](CC2)(c3ccc(cc3)F)C#N)(C(=O)O)c4ccccc4.Cl C045500 CC1=C2[C@@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC)C)OC C046500 [2H]C([2H])([2H])O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)C)OC([2H])([2H])[2H])C)OC(=O)C C046502 CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C C050000 [2H]C(=C([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(CCCN(C)C)C(=O)NCC)[2H] C050002 CCNC(=O)N(CCC[N+](C)(C)[O-])C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C C050010 [Cl-].[Cl-].[Cd+2] C059000 CCC(C)SP(=O)(OCC)SC(C)CC C060000 [2H]C([2H])([2H])C([2H])([2H])OP(=O)(SC(C)CC)SC(C)CC C060002 c1cc(c(cc1/C=C/C(=O)O)O)O C080000 c1cc(c(cc1/[13CH]=[13CH]/[13C](=O)O)O)O C080002 c1ccc(cc1)COC(=O)/C=C/c2ccc(c(c2)O)O C080005 [2H]c1c(c(c(c(c1[2H])[2H])COC(=O)/C=C/c2ccc(c(c2)O)O)[2H])[2H] C080007 COc1ccc(cc1OC)/C=C/C(=O)OCCc2ccccc2 C080010 c1cc(c(cc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O C080015 c1cc(c(cc1/C=C/C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C080020 c1cc(c(cc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O C080025 COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 C080030 COC(=O)/C=C/c1ccc(c(c1)O)O C080040 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC)C(=O)OC)OC(=O)C C080045 c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O C080050 Cn1cnc2c1c(=O)n(c(=O)n2C)C C080100 [2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])C([2H])([2H])[2H] C080102 CC(c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3[nH]c(nc4=O)N)O)O C084900 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])OC(C)c2ccccc2[N+](=O)[O-])N)O C085000 CC(=O)OCOC(=O)CN(Cc1c(ccc2c1Oc3c(ccc(c3CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OC(=O)C)C24c5ccccc5C(=O)O4)OC(=O)C)CC(=O)OCOC(=O)C C125400 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C C125700 [2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)[2H] C125701 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O C125702 C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C C144200 [2H]C1(C(C1([2H])[2H])[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O)[2H] C144202 C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C C144210 [2H]C1(C(C1([2H])[2H])[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C)O)[2H] C144212 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C C144490 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C C144500 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O C144502 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C C144510 CC1=C(C[C@H](C[C@@H]1O)O)[C@@H]2C=C3[C@@H]4CC[C@@H]([C@]4(CC[C@H]3n5n2c(=O)n(c5=O)c6ccccc6)C)[C@H](C)CCCC(C)(C)O C144520 C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C C144550 C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O C145000 C[C@H](c1cccc2c1cccc2)N[C@H]3CCCCC3NC(=O)c4ccc(cc4)Cl C148000 C[C@H](c1cccc2c1cccc2)NC(=O)c3cc4ccccc4[nH]3 C148650 C[C@@H](c1cccc2c1cccc2)NC(=O)c3cc4ccccc4[nH]3 C148651 C[C@H](c1cccc2c1cccc2)N[13C](=O)c3cc4ccccc4[nH]3 C148652 C[C@@H](c1cccc2c1cccc2)N[13C](=O)c3cc4ccccc4[nH]3 C148653 C[C@H](c1cccc2c1cccc2)NCc3cc4ccccc4[nH]3.Cl C148700 [2H][13C]([2H])(c1cc2ccccc2[nH]1)N[C@H](C)c3cccc4c3cccc4.Cl C148702 C[C@@H](c1cccc2c1cccc2)NCc3cc4ccccc4[nH]3.Cl C148705 [2H][13C]([2H])(c1cc2ccccc2[nH]1)N[C@@H](C)c3cccc4c3cccc4.Cl C148707 C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C C148900 CN1c2ccc(cc2C(=NC(C1=O)OC(=O)N(C)C)c3ccccc3)Cl C149300 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NC(C1=O)OC(=O)N(C)C)c3ccccc3)Cl C149302 CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC C150300 [2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155302 [2H]C([2H])([2H])C([2H])([C@H](C)CCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155303 C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C155360 [2H]C([2H])([2H])C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C C155362 [2H]C([2H])([2H])[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C C155363 [2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155364 C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)Cl C165000 C[C@@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O C165900 CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)O)C.O C173000 CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)Cl)C C174990 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)Cl)C C175070 CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)Cl)C C175075 CC1([C@H]2CC[C@]13CS(=O)(=O)N=C3C2)C C175080 CC1([C@@H]2CC[C@@]13CS(=O)(=O)N=C3C2)C C175085 CC1([C@H]2CCC13CS(=O)(=O)N4[C@]3(C2)O4)C C175095 CC1([C@@H]2CCC13CS(=O)(=O)N4C3(C2)O4)C C175100 CC1([C@@H]2CCC13CS(=O)(=O)N[C@@H]3C2)C C175125 CC[C@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175145 [2H]C([2H])([2H])C([2H])([2H])[C@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175147 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175150 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175152 COc1ccc2c(c1OC)CN3CCc4cc5c(cc4C3C2)OCO5 C175175 Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O C175190 COCCOC[C@@H](C(=O)Oc1cc2c(cc1)CCC2)CC3(CCCC3)C(=O)N[C@H]4CC[C@H](CC4)C(=O)O C175200 CCCCCc1cc(c(c(c1)O)C2C=C(CC[C@H]2C(=C)C)C)O C175300 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O C175302 CCCCCc1cc(c(c(c1)O)[C@H]2C=C(CC[C@@H]2C(=C)C)C)O C175305 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H]3C=C(CC[C@H]3C(=C)C)C)O C175312 CCNC(=O)OC1CCN(CC1)c2c3cc(c(cc3cnn2)OC)OC C175790 [2H]C1(CC(CC(N1c2c3cc(c(cc3cnn2)OC)OC)([2H])[2H])OC(=O)NCC)[2H] C175792 CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O.Cl C175810 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(COc1cccc2c1c3ccccc3[nH]2)O.Cl C175812 COC(=O)N/N=C/c1c[n+](c2ccccc2[n+]1[O-])[O-] C175825 [2H]C([2H])([2H])OC(=O)N/N=C/c1c[n+](c2ccccc2[n+]1[O-])[O-] C175827 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N C175840 [2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)N)[2H] C175843 [2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)N)[2H] C175844 c1ccc2c(c1)C3C(O3)c4ccccc4N2C(=O)N C175850 CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CC[C@H]2C(=C)C)C C175315 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c-2c(c1)OC(c3c2cc(cc3)C)(C)C)O C175352 CCCCCc1cc(c(c(c1)O)C/C=C(\C)/CCC=C(C)C)O C175370 C(CONC(=N)N)C(C(=O)O)N.OS(=O)(=O)O C175500 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC(C)(C)C C175565 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OCC C175570 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O C175575 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O C175577 [2H]c1c(c(c(c(c1Cn2c3c(cccc3nc2OCC)C(=O)O)[2H])[2H])c4ccccc4c5[nH]nnn5)[2H] C175578 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC(C)OC(=O)OC6CCCCC6 C175580 CC(OC(=O)c1cccc2c1n(c(n2)OC)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)OC(=O)OC6CCCCC6 C175585 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O)C(=O)O C175590 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC C175595 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC C175597 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C C175610 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@H](C([C@H](O2)C)O)O)F C175650 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O)F C175652 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]3C([C@H](O2)C)OC(=O)O3)F C175660 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)c3ccccc3)O)F.CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)OC(=O)c3ccccc3)F C175670 CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O C175680 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCCC=CC(C)C C175682 CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O C175685 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)C C175687 CC(C)/C=C\CCCCC(=O)NCc1ccc(c(c1)OC)O C175690 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C\C(C)C C175692 c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl C175710 CC(C)CCCCCCCCCCCCNC(=O)C C175715 [2H]C([2H])([2H])C(=O)NCCCCCCCCCCCCC(C)C C175717 C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl C175725 [2H]C1=C(C(C2C(C1([2H])[2H])C(=O)N(C2=O)SC(Cl)(Cl)Cl)([2H])[2H])[2H] C175727 CC1=C(C(C(=O)CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCC(=O)C2(C)C)C)\C)\C)/C)/C C175735 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O C175750 [2H][C@]1(CCC(N1C(=O)[C@H](C)CS)([2H])[2H])C(=O)O C175752 C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N2CCC[C@@H]2C(=O)O C175760 C(CCCCO)CCCCSC(=[NH2+])N.[Br-] C175780 CCCOC(=O)N C175785 [2H]C12c3ccccc3N(c4ccccc4C1(O2)[2H])C(=O)N C175853 [2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C12c3ccccc3N(c4ccccc4C1(O2)[2H])C(=O)N C175854 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)NC(=O)N C175860 C([C@@H](C(=O)O)NC(=O)N)S C175865 C(C(C(=O)O)F)NC(=O)N C175870 [13CH2]([13CH]([13C](=O)O)F)NC(=O)N C175872 C(=N)(N)NC(=O)N.Cl C175873 c1nc2c(n1CC(C(=O)N)O)c(=O)[nH]c(n2)N C175875 CC1(CC(C(N1O)(C)C)C(=O)N)C C175880 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+] C175885 CC1(C=C(C(N1O)(C)C)C(=O)N)C C175890 CNC(=O)Oc1cccc2c1cccc2 C175895 [2H]c1c(c(c2c(c1[2H])c(c(c(c2OC(=O)NC)[2H])[2H])[2H])[2H])[2H] C175897 COC(=O)Nc1[nH]c2ccccc2n1 C175900 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)NC(=O)OC)[2H])[2H] C175902 CCOC(=O)N1CCCC(=O)CC1 C175905 CCOC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 C175910 CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN C175915 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])c1ccc(c(c1)O)O)NN C175917 CN(C)CCOC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C175920 [2H]C([2H])([2H])N(CCOC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C175922 CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N)C(C)(C)C)CC(=O)N)CCC(=O)N C175925 c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O C175930 c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O C175935 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)O C175940 c1ccc(cc1)COC(=O)Nc2ccn(c(=O)n2)[C@H]3C([C@H]([C@H](O3)CO)O)(F)F C177800 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)C(=O)O C177810 c1ccc(cc1)[P+](CCCCC(=O)O)(c2ccccc2)c3ccccc3.[Br-] C177815 c1cc(c(cc1S(=O)(=O)N)C(=O)O)Cl C177825 C[C@]12CCC(=O)C=C1CC([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)O C177830 C[N+](C)(CCOC(c1ccc(cc1)Cl)c2ccccn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O C175945 COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4n3CC(COc5cccc6c5c7ccccc7[nH]6)O)O C175950 CC(C)C[C@H](CC(=O)N)CC(=O)O C175955 CCOC(=O)n1ccn(c1=S)C C175960 C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N C175965 C[N+](C)(C)CCOC(=O)N.[Cl-] C175970 CCOC(=O)C(C)(Cc1ccc(c(c1)O)O)NN C175975 CC(Cc1ccc(c(c1)O)O)(C(=O)OC)NN C175980 C[C@@](Cc1ccc(c(c1)O)O)(C(=O)O)NN C175985 c1ccc(cc1)COC(=O)NCCCC[C@H]2C(=O)OC(=O)N2 C175990 c1ccc(cc1)COC(=O)NCC(=O)O C175995 c1ccc(cc1)COC(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)N C176000 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] C176080 c1ccc(cc1)COC(=O)N[C@@H](CN)C(=O)O C176175 CN1C(CC2=C/C(=N/NC(=O)N)/C(=O)C=C21)S(=O)(=O)[O-].[Na+] C176190 c1ccc(cc1)COC(=O)N[C@@H]2CC(=O)OC2 C176210 c1ccc(cc1)COC(=O)N[C@@H](CSc2ccccc2)[C@@H](CCl)O C176240 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccccc2 C176260 c1ccc(cc1)COC(=O)N[C@H](CC(=O)O)C(=O)O C176280 c1ccc(cc1)COC(=O)N[C@@H]2CC(=O)OC2=O C176290 c1ccc(cc1)COC(=O)[C@H](CC(=O)O)NC(=O)OCc2ccccc2 C176300 c1ccc(cc1)COC(=O)[C@H](CCCNC(=N)NP(=O)(OCc2ccc(cc2)[N+](=O)[O-])OCc3ccc(cc3)[N+](=O)[O-])NC(=O)OCc4ccccc4 C176360 CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)OCc3ccccc3 C176440 c1ccc(cc1)COC(=O)N2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O C176455 c1ccc(cc1)COC(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O C176500 c1ccc(cc1)COC(=O)N[C@@H](CCC(=O)O)C(=O)O C176510 c1ccc(cc1)COC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2 C176515 c1ccc(cc1)COC(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O C176520 c1ccc(cc1)COC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)N.Cl C176525 c1ccc(cc1)COC(=O)N[C@@H](CSc2ccccc2)C(=O)O C176530 c1ccc(cc1)COC(=O)N[C@H]2COC2=O C176540 CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1nc([nH]c2=O)N)NC(=O)OCc3ccccc3 C176570 CCOC(=O)c1cccn1[C@H](C)c2ccccc2 C176585 CC1(Cc2cccc(c2O1)OC(=O)NC)C C176590 [2H]C([2H])([2H])NC(=O)Oc1cccc2c1OC(C2)(C)C C176592 c1ccc2c(c1)c3cccnc3[nH]2 C176600 c1ccc2c(c1)c3ccc[15n]c3[15nH]2 C176602 c1ccc2c(c1)c3ccc[n+](c3[nH]2)[O-] C176605 c1ccc2c(c1)c3ccc[15n+](c3[15nH]2)[O-] C176607 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)CC1c3ccc(cc3)I C176610 [2H]C([2H])([2H])OC(=O)NN C176617 COC(=O)CCc1cc2c(s1)NC(=O)CN=C2c3ccccc3Cl C176620 CC(C)(CC(=O)O)C(=O)OC C176625 C1COC[C@H]1OC(=O)ON2C(=O)CCC2=O C176630 [2H]C1(C[C@@H](C(O1)([2H])[2H])OC(=O)ON2C(=O)CCC2=O)[2H] C176632 C=CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O C176635 CC(OC(=O)Oc1ccccc1)Cl C176640 CCOC(=O)N=C=S C176650 C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O C176680 C[n+]1ccn(c1)C(=O)n2cc[n+](c2)C.C(F)(F)(F)S(=O)(=O)[O-] C177000 c1cn(cn1)C(=O)n2ccnc2 C177005 c1cn(cn1)[13C](=O)n2ccnc2 C177007 C(CS(=O)(=O)[O-])SC(=O)SCCS(=O)(=O)[O-].[Na+].[Na+] C177010 [2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)SC([2H])([2H])C([2H])([2H])S(=O)(=O)[O-].[Na+].[Na+] C177012 C(C1[C@H](C2[C@H]([C@H](O1)O)OC(=O)O2)O)O C177220 CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H]([C@H](O1)OC(=O)C)OC(=O)O2)OC(=O)C C177250 C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2] C177500 [2H]C1(CC(C1(C(=O)[O-])C(=O)[O-])([2H])[2H])[2H].N.N.[Pt+2] C177502 CCOP(=S)(OCC)SCSc1ccc(cc1)Cl C177525 CCOP(=S)(OCC)SCS(=O)c1ccc(cc1)Cl C177535 CCOP(=S)(OCC)SCS(=O)(=O)c1ccc(cc1)Cl C177540 CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O C177580 Cc1cc(=O)[nH]c2c1ccc(c2)N C177650 Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CCl C177655 Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CCSS(=O)(=O)C C177660 Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CSS(=O)(=O)C C177663 Cc1cc(=O)[nH]c2c1ccc(c2)N3C(=O)C=CC3=O C177665 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SN(C)C(=O)Oc1cccc2c1OC(C2)(C)C C177712 c1nc2c(n1[C@@H]3C[C@@H](C=C3)CO)[nH]c(nc2=O)N C177740 [2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)O C177742 c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)O)[nH]c(nc2=O)N C177745 [2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)OP(=O)(O)O C177747 c1ccc(cc1)COC(=O)N[C@H](CCC(=O)O)C(=O)N C177750 CCN(CC)CC.c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[nH]c(nc2=O)N C177755 [2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.CCN(CC)CC C177757 CS(=O)(=O)SCCNC(=O)c1ccc2cc3ccccc3cc2c1 C177760 CS(=O)(=O)SCCNC(=O)c1c2ccccc2cc3c1cccc3 C177765 [2H]C([2H])(C([2H])([2H])SS(=O)(=O)C)NC(=O)c1c2ccccc2cc3c1cccc3 C177767 c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)OP(=O)(O)O)[nH]c(nc2=O)N C177770 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC(=O)c3ccccc3C(=O)O C177785 *C([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)N(C)C(=O)OCc4ccccc4)O)NC(=O)OCc5ccccc5)NC(=O)OCc6ccccc6)NC(=O)OCc7ccccc7)N* C177790 c1cc(cc(c1)C(=O)NO)/C=C/C(=O)NO C177840 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O C177860 C[C@H]1C(C(=NC1[C@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O C177870 C(CCCCCNC(=O)/C=C\C(=O)O)CCCCC(=O)O C177880 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C(=O)O C177887 CC(=O)Oc1cc2c(cc1Cl)C3(c4cc(ccc4C(=O)O3)C(=O)ON5C(=O)CCC5=O)c6cc(c(cc6O2)OC(=O)C)Cl C177890 CCOC(=O)n1cc(c2c1ccc(c2)OC)CCNC(=O)C C179800 C1[C@@H]([C@@H](N1)C(=O)O)CC(=O)O C179850 COc1c(c(cc2c1oc(=O)cc2)CC(=O)O)O C179950 C(CCNCC(=O)O)C[C@@H](C(=O)O)N C180075 [2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNCC(=O)O C180077 CS(=O)(=O)SCC(=O)O C180500 c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCC/C(=N\OCC(=O)O)/c4ccc(cc4)F C181000 C(CCCCO)CCCC(=O)O C181080 C1[C@H]([C@H]([C@@H]([C@H](N1CCCCCC(=O)O)CO)O)O)O C181150 C1[C@H]([C@H]([C@@H](C(N1CCCCCC(=O)O)CO)O)O)O C181200 C1C([C@H]([C@H](C(N1CCCCCC(=O)O)CO)O)O)O C181205 CN(CCCCCC(=O)O)c1cccc(c1)O C181210 CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)[O-])CCCCCC(=O)O.[K+] C181215 c1ccc(c(c1)C(=O)O)NCC(=O)[O-].[K+] C181220 c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)O C181225 c1ccc(cc1)n2cc(ccc2=O)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C181230 Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)O C181235 [2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])CCCC(=O)O C181237 CS(=O)(=O)SCCCC(=O)O C181240 CC1(C([N+](=C(N1O)c2ccc(cc2)C(=O)[O-])[O-])(C)C)C.[K+] C181250 C(COP(=O)(N)N(CCCl)CCCl)C(=O)O C181350 CCC(C)(C)C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O C181352 c1ccc(cc1)COC(=O)CCOP(=O)(N)N(CCCl)CCCl C181355 CC(=O)O.CC(=O)Oc1cc2c(cc1Cl)C3(c4ccccc4C(=O)O3)c5cc(c(cc5O2)OC(=O)C)Cl C177895 CN(C)c1ccc(c(c1)O)C(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-] C177900 CN(C)c1ccc(c(c1)O)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-] C177905 CC(=O)Oc1cc2c(cc1Cl)C3(c4ccccc4C(=O)O3)c5cc(c(cc5O2)OC(=O)C)Cl.CC(=O)ON1C(=O)CCC1=O C177910 Cc1c(cccc1C(=O)O)Cc2c[nH]cn2 C177915 Cc1c(cccc1C(=O)O)Cc2c[15nH][13cH][15n]2 C177917 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@H]1C(=O)O)C)O)F)C C177925 CC(C)NCCC(c1ccccc1)c2cc(ccc2O)C(=O)OC C177935 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C(=O)OC C177937 c1[nH]c2c(c(=O)n1)ncn2CCC(=O)O C177940 CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)O C177950 CCOc1cc(ccc1C(=O)O)CC(=O)O C177960 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)O)n(n1)C C177990 c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2ccc(c(c2)C(=O)O)Oc3ccc(cc3)C(=O)NCCC(=O)O C178010 c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2cc(ccc2/N=N/c3ccc(c(c3)C(=O)O)O)C(=O)NCCC(=O)O C178015 c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2cc(c(c(c2)/N=N/c3ccc(cc3)C(=O)NCCC(=O)O)O)C(=O)O C178020 C[C@@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)OC C178030 C[C@@H](C(=O)OCc1ccccc1)N[C@@H](CCc2ccccc2)C(=O)OC.C(=C\C(=O)O)\C(=O)O C178035 C[N+](C)(C)CCOC(=O)CCBr.[Cl-] C178040 C(CSC[C@@H](C(=O)O)N)C(=O)O C178055 CC(C(=O)O)NCCCC[C@@H](C(=O)O)N C178070 [2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNC(C)C(=O)O C178072 CS(=O)(=O)SCCC(=O)O C178100 C[N+](C)(C)CCOC(=O)CCSS(=O)(=O)C.[Cl-] C178130 COC(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O C178175 c1ccc(cc1)[P+](CCC(=O)O)(c2ccccc2)c3ccccc3.[Cl-] C178210 CC(=O)O.c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O C178315 c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O C178320 c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O C178325 CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)C(=O)ON6C(=O)CCC6=O)OC(=O)C C178330 CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC(=O)C.CC(=O)ON1C(=O)CCC1=O C178335 CC(C)C(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC(=O)C(C)C.CC(=O)O C178340 CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)C(=O)O)OC(=O)C C178345 c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O C178350 c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C4(c5ccc(cc5Oc6c4ccc(c6)O)O)OC2=O C178355 CC(C)NC(C)C.CC(C)(C)C(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)C(=O)O)OC(=O)C(C)(C)C C178360 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)OC=O)C)O)F)C C178430 c1cc(ccc1C(=O)O)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 C178440 [2H]C1(C2CCCC2C(N1NC(=O)NS(=O)(=O)c3ccc(cc3)C(=O)O)([2H])[2H])[2H] C178442 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C(=O)O)C C178445 [2H]C(C(C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C(=O)O)C)([2H])[2H])([2H])[2H] C178447 CC(C)(C)OC(=O)C(CC(C(=O)O)N)C(=O)OC(C)(C)C C178450 CCOC(=O)C(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N C178455 C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] C178460 CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)O)CO)C C178480 c1cc(c(cc1/C=C/c2cc(ccc2O)O)C(=O)O)O C178500 C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C C178525 [2H]C1(C[C@H]2[C@H]3[C@H](CC[C@@]2([C@H]1[C@H](C)C([2H])([2H])CCC(C)C(=O)O)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)[2H] C178527 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)O)CCC5=CC(=O)C=C[C@@]53C)F)O C178550 [2H]C1(C[C@H]2[C@@H]3CC[C@H]4CC(=C(C[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)C(=O)OC)O)[2H] C178572 c1ccc(cc1)C2CC(=O)Oc3c2cc(cc3)C(=O)O C178590 Cc1c(cccc1Nc2ccccc2C(=O)O)C(=O)O C178645 Cc1c(cccc1Nc2ccccc2C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)C(=O)O C178650 c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(=O)O C178700 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(C(=O)C4)C(=O)OC)C C178715 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ncc(s3)C(=O)O C178725 C(C(=O)O)ON C178730 [2H]C([2H])(C(=O)O)ON C178732 c1cc(c(nc1)NCC(=O)O)C(=O)O C178735 CCOC(=O)CNc1c(cccn1)C(=O)OCC C178738 C[n+]1c2ccccc2c(c3c1cccc3)C(=O)O.[Cl-] C178740 CC(c1cccc(c1)C(=O)O)C(=O)O C178745 [2H]C([2H])([2H])C(c1cccc(c1)C(=O)O)C(=O)O C178747 CC(C)C(=O)/C(=C\c1ccc(cc1)F)/C(=O)OC C178750 C([C@@H](C(=O)O)N)SCC(=O)O C178760 C([C@@H]([13C](=O)O)N)S[13CH2][13C](=O)O C178762 c1ccc(cc1)[P+](CCCCCC(=O)O)(c2ccccc2)c3ccccc3.[Br-] C178900 COc1cccc(c1Nc2ccccc2C(=O)O)C(=O)O C178960 c1ccc(cc1)n2cc(ccc2=O)C(=O)O C179020 c1cc(=O)n(cc1C(=O)O)[14c]2[14cH][14cH][14cH][14cH][14cH]2 C179021 [2H]c1c(c(c(c(c1[2H])[2H])n2cc(ccc2=O)C(=O)O)[2H])[2H] C179022 c1ccc(cc1)n2cc(ccc2=O)C(=O)[O-].[Na+] C179023 C[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)O)C(=O)O)C)C(=O)O C179030 c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CC(=O)O C179040 CN1CCN(C(C1)c2ccccc2)c3c(cccn3)C(=O)O C179055 CC1(C=C(C(N1O)(C)C)C(=O)O)C C179075 CCOC(=O)n1cc(c2c1cc(c(c2)OC)OC(=O)C)CCNC(=O)C C179780 CCOC(=O)n1cc(c2c1cc(c(c2)OC)O)CCNC(=O)C C179790 [2H]C([2H])(CN(CC([2H])([2H])Cl)P(=O)(N)OCCC(=O)OCc1ccccc1)Cl C181357 CCNc1cc2c(cc1C)c(c3cc(c(cc3[o+]2)NCC)C)c4ccc(cc4C(=O)O)C(=O)O.[Cl-] C181700 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O C182400 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O)C([2H])([2H])[2H] C182402 CCC(C)(C)C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O C182405 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O)C([2H])([2H])[2H] C182407 c1ccc(cc1)COC(=O)N[C@@H](CO)C(=O)O C182415 Cc1c(c([nH]c1C(=O)O)/C=C\2/c3ccccc3NC2=O)CCC(=O)O C182460 CC1=[N+](c2ccc(cc2C1(C)C)C(=O)O)CCCCS(=O)(=O)[O-] C182490 CC(C)(C#C/C=C/CN(C)Cc1cccc2c1cccc2)C(=O)O C182600 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CN(C)C/C=C/C#CC(C)(C)C(=O)O)[2H])[2H] C182602 CC(C)(C#C/C=C/CN(C)Cc1cccc2c1cccc2)C(=O)OC C182610 CC1(C[C@@H](C(N1O)(C)C)C(=O)O)C C182750 CC1(C[C@@H](C(N1O)(C)C)C(=O)O)C C182760 CC1(CC(C(N1[O-])(C)C)C(=O)O)C C182770 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccc(cc4C(=O)[O-])C(=O)O)N(C)C C183150 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4cc(ccc4C(=O)[O-])C(=O)O)N(C)C C183170 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)OC C183192 CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)O C183200 [2H]C([2H])(C)C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)O C183202 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)OC C183207 CC(C)N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)O)C(C)C C183210 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] C183212 CS(=O)(=O)SCCCCCCCCCCCC(=O)O C183215 c1c(c(=O)[nH]c(=O)[nH]1)/C=C/C(=O)O C183225 CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N C183300 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)N C183302 CC(C)(C)NCC(c1ccc(c(c1)NC(=O)N)O)O.Cl C183350 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)NC(=O)N)O)O.Cl C183352 COc1ccc(cc1)Nc2nccc(n2)NCCO.Cl C183400 CC(C)(c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4)C(=O)O C183440 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C(=O)O)[2H])[2H] C183442 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C(=O)OC)[2H])[2H] C183447 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC C183480 [2H]c1c(c(c(c(c1[2H])[2H])CCN2CCC(CC2)(C(=O)OC)N(c3ccccc3)C(=O)CC)[2H])[2H] C183482 CN(C(=O)N[C@H]1CC[C@@H](CC1)CCN2CCN(CC2)c3c(c(ccc3)Cl)Cl)C C183490 [2H]C([2H])([C@H](c1ccccc1Cl)O)O[13C](=O)[15NH2] C183512 [2H]c1c(c(c(c(c1[2H])[C@@H](COC(=O)N)O)Cl)[2H])[2H] C183513 c1ccc(c(c1)[C@H](COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl C183515 c1ccc(c(c1)[C@@H](COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl C183520 CCCC(C)(COC(=O)N)COC(=O)NC(C)C C183580 [2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)NC(C)C C183582 Cc1c2c(cc(c1C(=O)O)O)C(=O)c3c(c(c(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C2=O C183620 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)C)O)N)O C183650 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)O)O.Cl C183750 [2H]C([2H])([2H])Oc1ccc(cc1)C[C@@H](C)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)O)O.Cl C183752 C(CCl)NC(=O)N(CCCl)N=O C183875 [2H]C([2H])([2H])[N+](CC(CC(=O)O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] C184102 C[N+](C)(C)C[C@H](CC(=O)[O-])O C184105 C[N+](C)(C)C[C@@H](C[13C](=O)[O-])O C184112 CC(C)COC(=O)C[C@@H](C[N+](C)(C)C)O.[Cl-] C184115 CC(C)COC(=O)C[C@@H](C[N+](C)(C)C)OS(=O)(=O)C.CS(=O)(=O)[O-] C184125 C[N+](C)([CH2])C[C@H](CC(=O)O)OS(=O)(=O)C.CS(=O)(=O)[O-] C184150 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C2=C(CCCC2(C)C)C)/C)/C C184230 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C C184250 [2H]C1(C(=C(C(CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(CCC2(C)C)([2H])[2H])C([2H])([2H])[2H])\C)\C)/C)/C)C([2H])([2H])[2H])[2H] C184252 CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)CCO.C(=C\C(=O)O)\C(=O)O C184300 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(=O)CC.C(=C\C(=O)O)\C(=O)O C184302 C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184340 C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184345 CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184350 [2H]C([2H])([2H])C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184352 CCOC(=O)C(C)c1ccc2c3cc(ccc3[nH]c2c1)Cl C184360 CC(C)(C)NCC(COc1cccc2c1CCC(=O)N2)O.Cl C184450 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1CCC(=O)N2)O.Cl C184452 COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O C184625 [2H]C([2H])([2H])Oc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O C184627 COc1ccccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O C184630 COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O C184635 COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O C184640 COc1ccccc1OCCN(CC(COc2cccc3c2c4ccccc4[nH]3)O)CC(COc5cccc6c5c7ccccc7[nH]6)O C184645 COc1ccccc1OCCNCC(CN(CCOc2ccccc2OC)CC(COc3cccc4c3c5ccccc5[nH]4)O)O C184650 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4OCCNCC(COc5cccc6c5c7ccccc7[nH]6)O)O C184655 c1ccc(cc1)CN(CCOc2ccccc2OCCN(Cc3ccccc3)CC(COc4cccc5c4c6ccccc6[nH]5)O)CC(COc7cccc8c7c9ccccc9[nH]8)O C184665 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4OCCN)O C184670 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN(CCOc4ccccc4OCCN(CC(COc5cccc6c5c7ccccc7[nH]6)O)CC(COc8cccc9c8c1ccccc1[nH]9)O)CC(COc1cccc2c1c1ccccc1[nH]2)O)O C184675 CC(=C)[C@@H]1C[C@@H]2[C@@](O2)(C(=O)C1)C C184700 CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C C184750 Cc1cc(ccc1[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C)F.CS(=O)(=O)O C184800 CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CCN)O)O)NCCN)O C184900 C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O C185000 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OCc4ccccc4)O C210000 c1ccc(cc1)COC(=O)CNC(=O)[C@H](CSCc2ccccc2)NC(=O)CC[C@@H](C(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 C215100 c1ccc(cc1)COC(=O)[C@H](CCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[15NH][13CH2][13C](=O)OCc3ccccc3)NC(=O)OCc4ccccc4 C215102 c1ccc(c(c1)O)O C215175 [2H]c1c(c(c(c(c1[2H])O)O)[2H])[2H] C215176 [13cH]1[13cH][13cH][13c]([13c]([13cH]1)O)O C215177 [2H]C([2H])([2H])Oc1ccccc1OC([2H])([2H])[2H] C215202 CC(C)(C)NCC(c1ccc(c(c1)O)O)O.Cl C215850 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)O)O)O C215852 c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O C217500 [2H]c1c(cc2c(c1O)C([C@@H]([C@H](O2)c3ccc(c(c3)O)O)O)([2H])[2H])O C217502 c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O C217505 CCC1=CC2C[C@]3([C@@H]1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O C225400 [2H]C([2H])([2H])OC(=O)[C@]12CC3CN([C@@H]1C(=C3)CC)CCc4c2[nH]c5c4cccc5 C225402 CCC1=CC2C[C@]3(C1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)O C225450 C[C@@H](C(=O)c1ccccc1)N.Cl C225700 [2H]C([2H])([2H])[C@@H](C(=O)c1ccccc1)N.Cl C225702 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O C226490 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O C226500 c1ccc(cc1)COC(=O)N[C@@H](C2CCCCC2)C(=O)O C227500 CC(C)(C)[C@@H](C(=O)O)NC(=O)OCc1ccccc1 C227750 Cc1c(c2ccccc2[nH]1)C(c3ccc(cc3)Cl)Nc4ccccn4 C227900 C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)n6ccnc6 C228090 C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC C228100 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O C231500 c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N.O C235250 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N)[2H])[2H] C235252 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O.O C235750 [2H]c1c(c(c(c(c1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H])O)[2H].O C235752 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)O)SC2)C(=O)[O-].[Na+] C237500 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)OC=O)SC2)C(=O)[O-].[Na+] C237505 Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cc(c(=O)c(c4)Cl)Cl)SC2)C(=O)O C241500 c1c(sc(n1)N)/C(=C\CC(=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244490 c1c(sc(n1)N)/C(=C/CC(=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244500 c1c(sc(n1)N)/C(=[13CH]/[13CH2][13C](=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244507 c1cc(ccc1CCC(=O)O)OC(=O)C2CCC(CC2)CN.Cl C281400 CC1SC[C@]2(O1)[C@H]3CC[N@@](C2)CC3.Cl C283500 [2H]C1(SC[C@]2(O1)[C@H]3CC[N@@](C2)CC3)C([2H])([2H])[2H].Cl C283502 CC1OC2(C[N+]3(CCC2CC3)[C@H]4C([C@H]([C@@H](C(O4)C(=O)[O-])O)O)O)CS1 C283505 CC1SC[C@]2(O1)[C@H]3CC[N@@+](C2)(CC3)[O-] C283510 CC1S(=O)C[C@]2(O1)[C@H]3CC[N@@](C2)CC3 C283515 CC1S(=O)C[C@]2(O1)[C@H]3CC[N@@+](C2)(CC3)[O-] C283520 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)N C291080 COC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl C291150 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O.Cl C291790 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)[O-])O)O.[Na+] C291800 CCCCCCCCCCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291815 [2H]C([2H])([2H])/C(=C(\CCCCCCCCCCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291817 CCCCCCCCCCCCCCC1=C(C(=O)OC1=O)C C291820 Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)[O-].[Na+] C242500 Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)N[13C](=O)[13CH2][15n]4cnnn4)SC2)C(=O)[O-].[Na+] C242502 Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)N C242515 Cc1nnc(s1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)Cn3cnnn3)C(=O)O C242520 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C242545 [2H]C([2H])([2H])C([2H])([2H])/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C242547 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C C242550 [2H]C([2H])([2H])C(C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=C\CC)/c3csc(n3)N)COC(=O)N)(C([2H])([2H])[2H])C([2H])([2H])[2H] C242552 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl C242555 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C C242560 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/O)/c3csc(n3)N)SC1)C(=O)O C242665 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/c3csc(n3)N)SC1)C(=O)O C242670 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/c3cs[13c]([15n]3)[15NH2])SC1)C(=O)O C242672 Cc1c(scn1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)OCOC(=O)C(C)(C)C C242700 Cc1c(scn1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-].[Na+] C242701 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C\c4c(ncs4)C)C(=O)[O-].[Na+] C242702 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C\c4c(ncs4)C)C(=O)OCOC(=O)C(C)(C)C C242703 CCOCC.C[N+]1(CCCC1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)[O-])NC(=O)/C(=N\OC)/c4csc(n4)N C242740 C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-].O C242750 C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C4=C(CS[C@H]5N4C(=O)[C@H]5NC(=O)/C(=N\OC)/c6csc(n6)N)C[N+]7(CCCC7)C)SC2)C(=O)[O-] C242760 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)OCOC(=O)C(C)(C)C C242775 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl C242780 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c3csc(n3)N)SC1)C(=O)OCOC(=O)C(C)(C)C C242790 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C242800 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3cs[13c]([15n]3)[15NH2])SC1)C(=O)O C242802 C=CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)O C242805 CC1C2=C(C(=O)O1)N[C@H](SC2)CNC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N C242810 C=CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C242815 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O C242820 CCOC(=O)CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C=C)C(=O)O C242830 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O C242835 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O C242850 c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4CS(=O)(=O)[O-])C(=O)[O-])O.[Na+].[Na+] C242875 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)O C242890 [2H]c1c(c(c(c(c1[C@H](C(=O)N[C@@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4C)C(=O)O)NC(=O)N5CCN(C(=O)C5=O)CC)[2H])[2H])O)[2H] C242892 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)[O-].[Na+] C242900 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)[O-].[Na+] C242950 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O C242952 Cn1c(nnn1)SCC2=CS[C@@H]3[C@@](C(=O)N3C2C(=O)O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC C242965 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O C242970 CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)Cc3csc(n3)N)CSc4nnnn4CCN(C)C)OC(=O)OC5CCCCC5 C243000 CN(C)CCn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cc4csc(n4)N)SC2)C(=O)O C243005 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)[O-].[Na+] C243100 CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)Cc3cccs3.[Na+] C243200 [2H]C([2H])([2H])O[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)Cc3cccs3.[Na+] C243202 CO/N=C(\c1nc(sn1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccn5c4cccn5)C(=O)[O-] C243300 CO/N=C(\c1csc(n1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4cccc5c4CCC5)C(=O)[O-] C243500 COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)O C243850 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC)C(=O)O C243852 CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/c3csc(n3)N)COC C243860 CC(OC(=O)OC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/c3nc(sc3)NC(=O)Nc4scc(n4)/C(=N/OC)/C(=O)N[C@@H]5C(=O)N6[C@@H]5SCC(=C6C(=O)OC(OC(=O)OC(C)C)C)COC)COC)C)C C243870 C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O C243910 [2H]c1c(c(c(c(c1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/C)C(=O)O)N)[2H])[2H])O)[2H] C243912 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4cccc5c4CCCC5)C(=O)[O-].OS(=O)(=O)O C244000 [2H]C1(CCc2c(ccc[n+]2CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/c5csc(n5)N)SC3)C(=O)[O-])C1([2H])[2H])[2H].OS(=O)(=O)O C244002 CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244100 [2H]c1c(c([n+](c(c1[2H])[2H])CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c4csc(n4)N)SC2)C(=O)[O-])[2H])[2H] C244102 CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)C[n+]4ccccc4)C(=O)[O-] C244110 CC(C)(C)OC(=O)C(C)(C)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244115 CC(C)(C(=O)OC)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244120 Cc1nnn(n1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O C244275 Cc1nnn(n1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)/C(=N\OC)/c4csc(n4)N C244280 Cc1nnn(n1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)OCOC(=O)C(C)(C)C C244300 Cc1nnn(n1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)OCOC(=O)C(C)(C)C)NC(=O)/C(=N\OC)/c4csc(n4)N C244310 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O C244695 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O.Cl C244700 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O.Cl C244702 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/Sc4n[nH]c(=O)c(=O)n4CC=O)C(=O)O C244750 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/Sc4n[nH]c(=O)c(=O)n4CC=O)C(=O)O C244752 Cn1c(nc(=O)c(=O)[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/c4csc(n4)N)SC2)C(=O)O C244990 Cn1c(nc(=O)c(=O)[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O C245000 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nc(=O)c(=O)[nH]n4C)C(=O)O C245002 Cn1c(nc(=O)c(=O)[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/c4csc(n4)N)SC2)C(=O)[O-].[Na+] C245010 CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-].[Na+] C248050 [2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C248052 CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O C248060 CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/c3ccco3)COC(=O)N C248065 [2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OC(C)OC(=O)C C248067 CC(OC(=O)C)OC(=O)C1C(=CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/c3ccco3)COC(=O)N C248070 CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N/OC)/c3ccco3)COC(=O)N C248075 CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O C249500 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F C251000 [2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3ccc(cc3)C)[2H])[2H])S(=O)(=O)N)[2H] C251002 c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)C(=O)O C251010 c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O C251015 COC(=O)c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F C251020 CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C C253500 CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O.Cl C254490 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC[C@H](COc1ccc(cc1C(=O)C)NC(=O)N(CC)CC)O.Cl C254492 CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@H](CNC(C)(C)C)O.Cl C254495 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N(CC)CC)O.Cl C254497 CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O.Cl C254500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1C(=O)C)NC(=O)N(CC)CC)O.Cl C254502 C1CCC(CC1)NC2CCCCC2.C(C1[C@H]([C@@H](C([C@@H](O1)O[C@@H]([C@@H](C(C(=O)O)O)O)C(CO)O)O)O)O)O C254850 C1C2[C@H]([C@@H](C([C@H](O1)O2)O)O)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O C254950 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O C255000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255025 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)O)O C255250 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255300 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)O)O C255700 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255750 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)O)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255765 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)O)O C255800 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255850 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)O)O C255900 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255950 CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCN4CCCC4)c5ccccc5)C C256500 [2H]C([2H])([2H])C1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCN4CCCC4)c5ccccc5)C([2H])([2H])[2H] C256602 CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC C256700 CC1=C(NC(SC1)C2C(=O)NC(C(=O)N2)c3ccccc3)C(=O)O C256760 CC1=C(NC(SC1)C(C(=O)NC(c2ccccc2)C(=O)O)N)C(=O)O C256765 CC1=C(N2C([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O C256800 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2C3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H].O C256802 CC1=C(N2C([C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)SC1)C(=O)O C256805 CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@@H](c3ccccc3)N C256810 CC1=C(N2C([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)S(=O)C1)C(=O)O C256820 C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O C258500 C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O C258515 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2] C258750 COC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5 C261050 [2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5 C261052 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-].[Na+] C261150 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc3ccncc3)SC1)C(=O)O C261500 [2H]c1c(nc(c(c1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)[2H])[2H])[2H] C261502 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O C262500 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)C)O C262530 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O C262550 CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)(O)O)NC(=O)CCC)O C262555 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCC)O C262560 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)O C262600 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCC)O C262602 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCC)O C262630 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)O C262700 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O C262710 CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)NC(=O)CCCCCCC)O C262720 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC)O C262730 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O C262770 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O C262800 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O C262830 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O C262902 CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O C262910 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263050 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)O C263052 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263060 CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263120 CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263130 CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263140 CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263145 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263450 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263455 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O C263460 CNc1nc-2ccn(c(=O)c(c2n1)Cc3cc(c(c(c3)Br)OC)Br)C C265500 CNc1nc-2cc[nH]c(=O)c(c2n1)Cc3cc(c(c(c3)Br)OC)Br C265510 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)COC.[Na+] C277000 CC1(c2cc[nH]c(=O)c2C(=O)O1)C C278500 [Cl-].[Cs+] C280000 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] C280500 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCCCC)[2H])[2H].[Cl-] C280502 CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C C280800 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281100 [2H]C1(C(N(C(C(N1CCOCC(=O)O)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H].C C281102 c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281105 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281106 [2H]C([2H])(C([2H])([2H])OCC(=O)O)N1CCN(CC1)[C@H](c2ccccc2)c3ccc(cc3)Cl C281108 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)[O-] C281110 [2H]C1(C([N+](C(C(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])(CCOCC(=O)O)[O-])([2H])[2H])[2H] C281112 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)[O-] C281115 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)CCOCC(=O)[O-] C281120 [2H]C1(C([N+](C(C(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])(CCOCC(=O)O)CCOCC(=O)[O-])([2H])[2H])[2H] C281122 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O[C@H]5C([C@H]([C@H](C(O5)CO)O)O)O)O)O C281125 [2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCCCCCCCCCC C291822 CCCCCCCC/C=C\CCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291830 [2H]C([2H])([2H])/C(=C(\CCCCCC/C=C\CCCCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291832 CCCCCCCC/C=C\CCCCCCC1=C(C(=O)OC1=O)C C291835 [2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCC/C=C\CCCCCCCC C291837 C[n+]1cc2c(c3c1c4cc5c(cc4cc3)OCO5)c(cc6c2OCO6)OC.[Cl-] C291850 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C C291900 [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H] C291902 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O C291903 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C C291905 C(C(C(=O)O)N)Cl.Cl C364190 [2H]C([2H])(C([2H])(C(=O)O)N)Cl C364192 C([C@H](C(=O)O)N)Cl.Cl C364200 COC(=O)C(CCl)N.Cl C364210 COC(=O)[C@H](CCl)N.Cl C364215 C(CNCCNCCCl)COP(=O)(O)O C364250 CC(c1ccccc1)(c2cc(ccc2N)Cl)O C364280 c1cc2cc(cc(c2nc1)N)Cl C364300 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)Cl)OC(=O)C)OC(=O)C C364375 c1cc(c(cc1Cl)C(=O)O)N C364400 c1c2c(c(c(c1Cl)Cl)Cl)CN3CC(=O)NC3=N2 C364425 c1cc(ccc1[NH2+])Cl.[Cl-] C364450 c1c[nH]c2c1c(ccn2)Cl C364500 c1ccc(c(c1)C=O)Cl C364505 c1ccc2c(c1)/C(=C/c3ccc(cc3)Cl)/OC2=O C364515 [2H]c1c(c(c(c(c1S(=O)(=O)O)[2H])[2H])Cl)[2H] C364522 c1cc(ccc1C(F)(F)F)Cl C364525 c1ccc(cc1)Cl C364530 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)Cl C364532 c1ccc2c(c1)nnn2Cl C364535 C[C@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C C291910 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)([2H])[2H])O C291912 c1cc(c(cc1Cl)Cl)c2c(cnc(n2)NCCNc3ccc(c(n3)N)[N+](=O)[O-])c4[nH]ccn4 C292100 C[C@H](CCC(=O)NCCCN(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C292425 C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C292500 CC(=O)NC1[C@@H]([C@H](C(O[C@H]1O)CO)O[C@H]2C([C@@H]([C@H](C(O2)CO)O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)NC(=O)C)O)NC(=O)C)O C300800 C[13C](=O)NC1[C@@H]([C@H](C(O[C@H]1O)CO)O[C@H]2C([C@@H]([C@H](C(O2)CO)O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)N[13C](=O)C)O)N[13C](=O)C)O C300802 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C C315000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C C315005 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C C315010 CC(C)/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl C324300 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl C324302 CCOP(=O)(OCC)O/C(=C/Cl)/c1ccc(cc1Cl)Cl C324360 [2H]C([2H])([2H])C([2H])([2H])OP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OC([2H])([2H])C([2H])([2H])[2H] C324362 c1cc(cc(c1)[N+](=O)[O-])[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)O C325010 c1cc(cc(c1)[N+](=O)[O-])[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O C325020 c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325025 c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325030 [13cH]1[13cH][13c]([13cH][13cH][13c]1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325032 c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] C325040 c1cc(ccc1[C@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325045 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC[C@H]([C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C)NC(=O)C(Cl)Cl)C(=O)OC)OC(=O)C C325055 CC(=O)O[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl C325090 CC(=O)O[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl C325100 CC(C)(C)[Si](C)(C)OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl C325110 c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-].[OH-].[K+].[K+] C325250 C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O C325350 CC(C)(C)NCC(COc1cc(ccc1Cl)Cl)O C325352 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cc(ccc1Cl)Cl)O C326500 [2H]C1(CN(CC(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])C)[2H].Cl C326502 CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl C327050 [2H]c1c(c(c(c(c1[2H])[2H])C2=[N+](CC(=Nc3c2cc(cc3)Cl)NC)[O-])[2H])[2H] C327052 CC(C)NC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl C329500 [2H]c1c(c(c(c(c1NC(=N)NC(=N)NC(C)C)[2H])[2H])Cl)[2H].Cl C329502 c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC#N)Cl C334995 c1cc(ccc1NC(=O)NC(=N)NCCCCCCNC(=N)NC(=O)Nc2ccc(cc2)Cl)Cl C335000 c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl C335050 [2H]c1c(c(c(c(c1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2c(c(c(c(c2[2H])[2H])Cl)[2H])[2H])[2H])[2H])Cl)[2H] C335052 c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl C340000 [2H]c1c(c(c(c(c1[2H])[2H])n2c(=O)c(c(cn2)N)Cl)[2H])[2H] C340002 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)O C343450 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC([C@]1([2H])O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])O)Cl C343452 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)OC(=O)C C343460 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC([C@]1([2H])O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])OC(=O)C)Cl C343462 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)O C343490 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC(C1=O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])O)Cl C343492 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C343500 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC(C1=O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])OC(=O)C)Cl C343502 C(C(=O)N)Cl C353500 [2H]C([2H])(C(=O)N([2H])[2H])Cl C353502 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)COC(=O)C)OC(=O)C)OC(=O)C C363000 CC1(c2cc(ccc2N(C1=C)C)NC(=O)CCl)C C363080 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CCl)N(C)C C363230 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C363280 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C363285 CCOc1ccccc1OC(c2ccccc2)C(CNC(=O)CCl)O C363325 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC(c2ccccc2)C(CNC(=O)CCl)O C363327 CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CCl)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 C363330 CNCC(=O)NCCCOCCOCCOCCCNC(=O)CCl.C(=O)(C(F)(F)F)O C363335 CC(C)(C)OC(=O)N(C)CC(=O)NCCCOCCOCCOCCCNC(=O)CCl C363340 CC(=O)Nc1ccc(cc1)Cl C363355 CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)Cl C363357 C(C(=O)O)Cl C363365 [13CH2]([13C](=O)O)Cl C363367 c1c2c(cc(c1C(=O)CCl)Cl)NC(=O)C2 C363370 C1CC(=O)N(C1=O)OC(=O)CCl C363375 CC(C(=O)OC)NC(=O)CCl C363380 CC(C)(C)NC(=O)CCl C363390 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)C(=O)OCCl)OC C363400 C1CSC(=O)C1NC(=O)CCl C363480 CC[C@H](C)[C@@H](CO)NC(=O)CCl C363580 C1COCCN1C(=O)CCl C363700 c1cc(sc1)C(=O)CCl C363810 CC(=O)c1ccccc1Cl C363815 C(C(=O)NNC(=O)C(F)(F)F)Cl C363820 C=C(C#N)Cl C363830 c1[nH]c2c(n1)c(nc(n2)Cl)N C363835 CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3nc(nc4N)Cl)C C363900 c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)Cl)N C364000 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl)N C364100 CC(=O)OCCOCn1cnc2c1nc(nc2Cl)N C364150 CC(C(=O)C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl C364540 c1ccc(c(c1)C=C(C#N)C#N)Cl C364545 CS(=O)(=O)O.c1ccc(cc1)c2cccc(c2)CN3CCN(CC3)c4cc(cc5c4oc(=O)[nH]5)Cl C364550 c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)C(=O)O C364555 c1ccc(c(c1)CN2CCN(CC2)c3ccc(cc3)C(=O)O)c4ccc(cc4)Cl C364560 [2H]C1(C(N(C(C(N1Cc2ccccc2c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])c4ccc(cc4)C(=O)O)([2H])[2H])[2H] C364562 c1ccc(c(c1)C(Cl)(Cl)Cl)Cl C364570 c1ccc(cc1)C(=O)c2ccccc2Cl C364575 CC(C)(c1ccc(cc1)O)c2ccc(c(c2)Cl)O C364580 [2H]c1c(c(c(c(c1C=O)[2H])[2H])Cl)[2H] C364592 c1ccc2c(c1)c(ns2)Cl C364605 c1ccc(cc1)Cc2ccccc2NC(=O)CCl C364615 c1cc2c(cc1Cl)c(=O)[nH]s2 C364620 c1cc2c(cc1Cl)s[nH]c2=O C364625 c1ccc(c(c1)C(=O)O)Cl C364640 c1cc(cc(c1)Cl)C(=O)O C364645 c1cc(ccc1C(=O)O)Cl C364650 c1cc(c(cc1/C=C/2\C(=O)NC(=O)S2)Cl)OCCC3CCCCC3 C364655 [2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2Cl)/C=C/3\C(=O)NC(=O)S3 C364657 c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCN(CC4)C5=Nc6ccccc6Oc7c5cc(cc7)Cl C364660 CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccccc2Cl C364675 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccccc2Cl C364677 CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2cccc(c2)Cl C364680 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2cccc(c2)Cl C364682 c1cc(ccc1CNc2ccc(c(c2)N)N)Cl C364700 c1ccc(c(c1)CN)Cl C364705 c1cc(ccc1CC2CNC2)Cl C364710 c1ccc(c(c1)C[n+]2ccc3c(c2)ccs3)Cl.[Cl-] C364750 [2H]c1c(c(c(c(c1[2H])C[n+]2ccc3c(c2)ccs3)Cl)[2H])[2H].[Cl-] C364752 CC(C(=O)c1ccc(c(c1)Cl)Cl)NC(C)(C)C.C(=C/C(=O)O)\C(=O)O C364760 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccc(c(c1)Cl)Cl.C(=C/C(=O)O)\C(=O)O C364762 CC(C(=O)c1cc(cc(c1)Cl)Cl)NC(C)(C)C.C(=C/C(=O)O)\C(=O)O C364765 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1cc(cc(c1)Cl)Cl.C(=C/C(=O)O)\C(=O)O C364767 Cn1c2c(nc1Cl)n(c(=O)n(c2=O)C)C C364780 c1ccc(cc1)CO[C@H]2CCC(CC2)[n@@]3nnnc3CCCCCl C364800 c1ccc(cc1)C(c2ccccc2Cl)N3CCN(CC3)CCOCC(=O)O C364840 c1ccc(cc1)C(c2cccc(c2)Cl)N3CCN(CC3)CCOCC(=O)O C364845 c1ccc(c(c1)c2c3cc(ccc3nc(n2)C(=O)O)Cl)Cl C364865 c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCCl C364890 c1cc(c(cc1C(=O)O)S(=O)(=O)Cl)Cl C364950 [13cH]1[13cH][13c]([13c]([13cH][13c]1C(=O)O)S(=O)(=O)Cl)Cl C364952 C1CCC(CC1)NC(=O)CCCCCl C364955 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)CCCCCl)([2H])[2H])([2H])[2H])[2H] C364957 CCOC(=N)c1ccc(cc1)Cl.Cl C364980 CSC(=N)Nc1c(ccc2c1nsn2)Cl.I C364985 c1cc(c(c2c1nsn2)NC#N)Cl C364990 c1cc(c(c2c1nsn2)NC(=S)N)Cl C364995 c1ccc2c(c1)C(=O)OP(O2)Cl C365000 CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)Cl C365005 [2H]c1c(c(c(c(c1C(=O)NC(C(=O)OCC)C(=O)OCC)[2H])[2H])Cl)[2H] C365012 c1cc2c(cc1Cl)n[se]n2 C365015 c1ccc(c(c1)C(=O)CC#N)Cl C365023 c1cc(ccc1C(=O)CC#N)Cl C365025 c1cc(cc(c1)Cl)C(=O)C2CCNCC2 C365030 c1cc(cc(c1)Cl)C(=O)C2CCNCC2.Cl C365031 CC(C)c1ccc(cc1)N(Cc2ccc(cc2)Cl)N.Cl C365033 c1ccc(c(c1)C(=O)CBr)Cl C365034 CC(C(=O)c1cccc(c1)Cl)Br C365035 COC(CCCCl)OC C365036 C1CCC(CC1)n2c(nnn2)CCCCCl C365038 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCCl)([2H])[2H])([2H])[2H])[2H] C365039 C(CC#N)CCl C365041 c1ccc(cc1)Cn2cnc3c2c(ncn3)Cl C365043 c1ccc(cc1)Cn2cnc3c2ncnc3Cl C365045 COCCOc1cc2c(cc1OCCCl)c(ncn2)Cl C365046 COCCOc1cc2c(cc1OCCCl)ncnc2Cl C365048 c1cc(ccc1C(c2cc(ccc2Cl)C(F)(F)F)(F)F)Cl C365050 CCOC(CCCCl)OCC C365051 c1c2c(cc(c1OCCCl)OCCCl)ncnc2Cl C365052 c1ccc(cc1)c2ccc(cc2)Cl C365053 c1c2c(cc(c1CCCl)Cl)NC(=O)C2 C365054 C=C(CC(=O)c1ccc(cc1)c2ccc(cc2)Cl)C(=O)O C365055 Cc1ccnc(c1NC(=O)c2cccnc2Cl)Cl C365056 c1cc(c(cc1S(=O)(=O)Cl)C(=O)O)Cl C365057 c1cc(c(cc1S(=O)(=O)Cl)S(=O)(=O)N)Cl C365060 [2H]C1(CC(CC(C1([2H])C2=C(C(=O)c3ccccc3C2=O)Cl)([2H])[2H])c4ccc(cc4)Cl)[2H] C365067 CC(=O)c1ccc2c3cc(ccc3[nH]c2c1)Cl C365070 c1ccc2c(c1)CCc3ccc(cc3N2CCCCl)Cl C365075 c1cc(ccc1/C=C/C(=O)O)Cl C365080 CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl C365085 CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl.Br C365090 c1ccc2c(c1)c3c(ccnc3[nH]2)Cl C365095 c1cncc(c1C#N)Cl C365100 c1cc(ncc1C#N)Cl C365105 c1cc(c(nc1)Cl)C#N C365110 c1cc(ccc1Nc2c3c(nc(n2)Cl)n(cn3)C4CCCCC4)N5CCOCC5 C365120 c1cc(c(cc1Cl)C2CCCC2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O C365125 COC(=O)N1c2ccc(cc2[C@@](OC1=O)(C#CC3CC3)C(F)(F)F)Cl C365130 [2H]C1(C(C1([2H])[2H])C#CC(c2cc(cc3c2[nH]c(=O)o3)Cl)(C(F)(F)F)O)[2H] C365133 c1c2c(cc(c1F)Cl)n(cc(c2=O)C(=O)O)C3CC3 C365135 c1cc(c(cc1Cl)C(C#CC2CC2)(C(F)(F)F)O)N C365138 COc1ccc(cc1)C2Nc3ccc(cc3[C@](O2)(C#CC4CC4)C(F)(F)F)Cl C365140 COc1ccc(cc1)CNc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365145 COc1ccc(cc1)CNc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365148 COc1ccc(cc1)C(=O)Nc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365150 c1c(c(nc(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)Cl C365155 CC(C(=O)c1cccc(c1)Cl)N C365160 Cc1ccnc(c1NC(=O)c2cccnc2Cl)NC3CC3 C365165 c1c[nH]c2c1c(nc(n2)N)Cl C365170 c1c[nH]c2c1c(ncn2)Cl C365175 c1c[nH]c2c1c(ncn2)Cl.[Cl] C365176 c1cn(c2c1c(ncn2)Cl)[C@H]3[C@H](C([C@H](O3)CO)O)O C365180 c1cn(c2c1c(ncn2)Cl)[C@@H]3[C@H](C([C@H](O3)CO)O)O C365181 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO[Si](C)(C)C(C)(C)C)n3ccc4c3ncnc4Cl)C C365185 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3Cl)OC(=O)C)OC(=O)C C365187 C[C@@H]1C([C@@H]([C@@H](O1)n2cc(c(nc2=O)N)Cl)O)O C365188 CC1(OCC(O1)[C@@H]2C([C@H]3[C@@H](O2)OC(O3)(C)C)Cl)C C365190 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)Cl)O)O C365195 c1ccc(c(c1)c2c3cc(ccc3nc(n2)C=O)Cl)Cl C365200 c1cc(ccc1/C=C(\C#N)/C(=O)O)Cl C365205 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Cl)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C C365210 CN(C)CCCC1(c2ccc(cc2CO1)Cl)c3ccc(cc3)F.C(=O)(C(=O)O)O C365215 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(=O)C=C[C@]34C)Cl C365220 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)Cl)OC(=O)C C365225 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)Cl C365230 c1c(c(=O)[nH]c(=O)n1[C@H]2CC([C@H](O2)CO)O)Cl C365233 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)Cl C365235 CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Cl)OC(=O)C C365236 c1ccc2c(c1)C(=Nc3ccccc3S2)Cl C365238 C[C@@H]1[C@@H](C([C@@H](O1)n2cc(c(=O)[nH]c2=O)Cl)O)O C365240 [2H]c1cc(c(c(c1Cl)[2H])Cl)Oc2ccc(cc2C(=O)C)Cl C365241 [2H]c1c(c(c(c(c1Oc2ccc(cc2C(=O)C)Cl)Cl)[2H])Cl)[2H] C365242 Cc1c(c(nc(n1)F)F)Cl C365243 CCN(CC)Cc1c[nH]c2c1ccc(c2)Cl C365244 c1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl C365245 c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl C365250 c1cc2c([n+](c1)[O-])C(=O)c3ccc(cc3CC2)Cl C365255 CCN(CC)CCNC(=O)c1cc(nc2c1cccc2)Cl C365260 c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)c4cc[n+](cc4O)[O-] C365265 c1ccc(c(c1)C2=NC/C(=C\[N+](=O)[O-])/Nc3c2cc(cc3)Cl)F C365270 c1ccc(c(c1)C2=NC/[13C](=C\[N+](=O)[O-])/Nc3c2cc(cc3)Cl)F C365272 COC(=O)c1cc(cc2c1OCC(=O)N2)Cl C365275 COCCCN1C[C@H](c2cc(sc2S1(=O)=O)Cl)O C365280 c1ccc(c(c1)C2=NCC(=S)Nc3c2cc(cc3)Cl)Cl C365285 c1ccc2c(c1)NC(=O)c3cc(ccc3O2)Cl C365290 [2H]C([2H])([2H])N1c2cc(cc(c2OCC1=O)C(=O)OC)Cl C365302 [2H][13C]([2H])([2H])N1c2cc(cc(c2OCC1=O)C(=O)OC)Cl C365303 CCCC#CC1(c2cc(ccc2NC(=O)O1)Cl)C(F)(F)F C365305 c1cc(c(c(c1O)C(=O)O)O)Cl C365310 c1ccc2c(c1)n(c(=O)n2CCCN3CCC(CC3)n4c5ccc(cc5[nH]c4=O)Cl)CCCN6CCC(CC6)n7c8ccc(cc8[nH]c7=O)Cl C365315 c1c(cc(c(c1F)CC#N)F)Cl C365320 c1cc(c(cc1C(=O)CCl)O)O C365325 CC(C)n1cnc2c1nc(nc2N(Cc3ccccc3O)Cc4ccccc4O)Cl C365330 COC(CCCCl)(c1ccc(cc1)F)OC C365335 CC(C)C(CCCCl)(C#N)c1ccc(c(c1)OC)OC C365340 CC(C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)(OC)OC)O C365345 COc1cc2c(cc1OC)ncnc2Cl C365350 COc1cc(nc(n1)OC)Cl C365355 COc1nc(nc(n1)Cl)OC C365360 COc1c(c(nc(n1)OC)Cl)[13CH]=O C365367 c1nc2c(c(n1)Cl)CCN2 C365370 Cc1cccc(c1NC(=O)CCl)C C365375 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)Cl)C C365380 [2H]C([2H])(C([2H])([2H])Cl)N(C)C.Cl C365392 CN(C)c1ccnc(n1)Cl C365400 CC1(N=C(c2ccccc2O1)Cl)C C365410 CC(C)(C)C#C/C=C/CCl C365415 CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3ccc4c3nc(nc4Cl)N)CO[Si](C)(C)C(C)(C)C)C C365420 Cc1cc(c(nc1C)Cl)C(=O)O C365425 CCOC(=O)C(C)(C)CC(=C)Cl C365430 Cc1c(nc(c(c1OC)C(=O)OC)Cl)C C365435 Cc1cc(c(nc1C)Cl)C#N C365440 Cc1c([n+](ccc1Cl)[O-])C C365450 Cc1cc(ncc1C)Cl C365455 C(=O)(C(F)(F)Cl)[O-].[Na+] C365460 c1ccc(c(c1)Cn2c(cc(=O)[nH]c2=O)Cl)C#N C365465 Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)Cl C365470 [2H]C([2H])([2H])n1c(=O)cc(n(c1=O)Cc2ccccc2C#N)Cl C365472 C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)CC[C@H]5[C@]3(C(CC(=O)N5)Cl)C C365475 Cc1c(cccc1Cl)NC(=O)c2cccnc2Cl C365480 c1c(c(cc(c1S(=O)(=O)Cl)Cl)O)C(=O)O C365490 [2H]c1c(c(c(c(c1[2H])C2=CCCCC2)Cl)[2H])[2H] C365497 C1COP(O1)Cl C365500 Cc1cc(n(n1)C)Cl C365515 Cc1c(c(=O)n2ccccc2n1)CCCl C366150 [2H]C([2H])(c1c(nc2ccccn2c1=O)C)C([2H])([2H])Cl C366152 Cc1c(c(=O)n2c(n1)CCCC2)CCCl C366155 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2)C)C([2H])([2H])Cl C366157 CN1CCCCC1CCCl.Cl C366160 [2H]C([2H])([2H])N1CCCCC1CCCl.Cl C366162 CN1CCCCC1CCCl.Cl C366165 C1CNCCN(P(=O)(OC1)O)CCCl C366170 [2H]C([2H])(C([2H])([2H])Cl)P(=O)(O)O C366177 c1nc(c2c(n1)n(cn2)CCCl)N C366190 CCc1ccnc(c1)Cl C366220 c1cc(c(c(c1Cl)CC(=O)O)Cl)Cl C366240 CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F C366260 Cc1c(c(=O)n2c(n1)C(CCC2)O)CCCl C366270 Cc1c(c(=O)n2c(n1)CCC(C2)OC)CCCl C366275 c1cc(c(c(c1)Cl)C=O)F C366280 c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)Cl C366290 c1cc(c(c(c1)Cl)F)CBr C366300 c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)I C366310 c1cc(ccc1C(=O)CCCCl)F C366345 CCOC(=O)c1cn(c2c(c1=O)cc(c(n2)Cl)F)c3ccc(cc3F)F C366350 c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)Cl)C(=O)O)F C366355 c1cc(c(cc1F)C(=O)CCl)O C366360 c1cc(ccc1n2ccc3c2ccc(c3)Cl)F C366370 c1cc(c(c(c1)Cl)CC(=O)O)F C366375 c1cc(c(cc1NC(=O)CC#N)Cl)F C366380 c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)C=O C366385 CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl C366395 CN[13C]1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl C366397 Cc1n-2c(c[n+]1[O-])C[N+](=C(c3c2ccc(c3)Cl)c4ccccc4F)[O-] C366415 Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)Cl C366420 Cc1c(c(n(n1)C)Cl)C(=O)c2ccccc2F C365520 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(=O)CCl)n(n1)C C365535 Cc1ccc(nn1)Cl C365550 Cc1cc(cnc1)CCl.Cl C365555 CN(C)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl C365580 c1cc(ccc1c2cn3cc(ccc3n2)Cl)Cl C365600 c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC(=O)N)Cl C365610 c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC(=O)O)Cl C365620 c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC#N)Cl C365630 CC(=O)N/N=C/1\CN=C(c2cc(ccc2N1)Cl)c3ccccc3Cl C365635 [2H]C([2H])([2H])C(=O)N/N=C/1\CN=C(c2cc(ccc2N1)Cl)c3ccccc3Cl C365637 c1ccc(c(c1)C2=NC/C(=N\N)/Nc3c2cc(cc3)Cl)Cl C365640 CCN(CC)CCOc1ccc(cc1Cl)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C365645 CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccc(cc2)Cl)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C365650 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CCl)O)N)O C365655 C1(C(=C(C(=O)O1)Cl)C(Br)Br)O C365660 C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O C365665 c1cc(c(cc1F)F)C(=O)CCl C365670 c1c(cc(c2c1OCCO2)Cl)CC3CNC3 C365675 c1c(cc(c(c1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-] C365680 c1ccc(cc1)C(c2ccccc2Cl)(Cl)Cl C365685 COc1cc(c(c(c1)Cl)N)OC C365690 CN1CC[N+](=C1Cl)C.[Cl-] C365695 c1cc2c(cc1Cl)[C@](OC(=O)N2)(C#CC3CC3Cl)C(F)(F)F C365700 c1ccc2c(c1)Cc3cc(ccc3N4C2CN=C4N)Cl.Cl C365710 C(CCl)OCC(=O)Cl C365715 CCOc1cc(cc(c1OC)Cl)CC2CNC2 C365720 c1cc(ccc1NC(=O)COCCCl)[N+](=O)[O-] C365725 [2H]c1c(c(c(c(c1NC(=O)COCCCl)[2H])[2H])[N+](=O)[O-])[2H] C365727 CCOc1cc(nc2c1cccc2)Cl C365730 C=C(c1ccc(cc1)F)Cl C365737 [2H]C([2H])(C([2H])([2H])Cl)N.Cl C365740 C(COCCCl)O C365745 CCOC(c1ccccc1)(c2ccccc2)c3ccccc3Cl C365752 [2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCCl)\c2ccc(cc2)O[Si](C)(C)C(C)(C)C)/c3ccccc3 C365753 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCCl)/c3ccccc3 C365754 C(COCCOCCCl)O C365760 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365775 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365777 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365780 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365782 CCC(c1ccccc1)C(=O)c2ccc(cc2)OCCCl C365783 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCCl)/c3ccccc3 C365785 [2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)c2ccc(cc2)OCCCl C365792 c1ccc(cc1)CC(=O)c2ccc(cc2)OCCCl C365795 C(CNCCCl)CO.Cl C365915 COc1ccc(cc1)CCCl C365925 CC(c1ccc2cc3ccccc3cc2c1)Cl C365975 c1ccc(cc1)C(c2ccccc2)OCCCl C366025 CCn1cc(c(=O)c2c1cc(c(c2)F)Cl)C(=O)O C366045 CC(OC(=O)Cl)Cl C366060 c1ccc2c(c1)[nH]c(=O)n2CCCl C366075 Cc1ccc2nc(c(c(=O)n2c1)CCCl)C C366090 CCc1c(c(ncn1)Cl)F C366095 c1ccc2c(c1)C(=O)N(C2=O)CCCl C366100 [2H]C([2H])(C([2H])([2H])Cl)N1C(=O)c2ccccc2C1=O C366102 C1CN(C(=O)N1)CCCl C366110 CS(=O)(=O)SCCCl C366125 Cc1c(c(=O)n2cc(ccc2n1)OC)CCCl C366135 Cc1c(c(=O)n2cccc(c2n1)OCc3ccccc3)CCCl C366140 [2H]C([2H])(c1c(nc2c(cccn2c1=O)OCc3ccccc3)C)C([2H])([2H])Cl C366147 Cc1ncc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4F)Cl C366425 Cc1cc2c(nc(nc2s1)Cl)c3ccccc3F C366430 CN(C1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl)N=O C366435 CC(C(=O)c1ccc(cc1)F)Cl C366440 c1c(cnc(c1C=O)F)Cl C366445 c1c(cnc(n1)Cl)F C366450 c1cc2c(nc3cc(ccc3n2c1)F)Cl C366460 [2H]c1c(c(oc1[2H])C(=O)O[C@@]2([C@@H](C[C@@H]3[C@@]2(C[C@H]4[C@@]5(C3CCC6=CC(=O)C=C[C@@]65C)O4)C)C)C(=O)CCl)[2H] C366527 c1ccc(cc1)C2=NCC(=Nc3c2cc(cc3)Cl)NN C366530 c1cc(c(cc1/[13CH]=[13CH]/[13C](=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O C366542 [13cH]1[13cH][13c]([13c]([13cH][13c]1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O C366543 c1ccc(c(c1)C(=O)NCC(=O)O)Cl C366545 [2H]c1cccc(c1C(=O)NC([2H])([2H])C(=O)O)Cl C366547 c1c2c(c(c(c1S(=O)(=O)N)Cl)Cl)NCNS2(=O)=O C366550 CC(=O)c1ccc(c(c1)Cl)O C366580 c1cc(ccc1Nc2ccnc3c2ccc(c3)Cl)O C366590 Cc1cc(ccc1Cl)N C369075 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)CCl)Cl)C)OC(=O)C C369085 c1cc(ncc1Cl)NC(=O)c2c(nccn2)CCl C369095 c1cc(cc(c1)C(=O)O)CCl C369100 [2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)Cl)[2H])[2H] C369107 c1ccc(cc1)C(=O)c2ccc(cc2)CCl C369110 Cc1cc2c(cc1Cl)n[se]n2 C369120 CCN(CC)C(=O)OCCl C369125 Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl C369130 CS(=O)(=O)SCc1ccc(cc1)CCl C369135 CCOC(=O)C(C)c1ccc(cc1)CCl C369140 [2H]C1(CC(CC(N1C)([2H])[2H])Cl)[2H].Cl C369142 Cc1ccnc(c1[N+](=O)[O-])Cl C369145 CC(C)(CCCl)O C369150 C/C(=C\C#N)/CCl C369155 CN1c2ccccc2C(=O)c3ccc(cc3S1(=O)=O)Cl C369158 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCCl C369160 [2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCCl C369162 c1cc(c(cc1O)Cl)C(=O)O.O C366595 [2H][13C]([2H])([2H])OC(=O)c1cc(ccc1O)Cl C366602 CC(C)n1cnc2c1nc(nc2NCc3ccccc3O)Cl C366610 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H](C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)O)C)OC(=O)C C366615 c1cc2c(cc1S(=O)(=O)Cl)c(=O)[nH]cc2Cl C366620 Cc1c(ccnc1CO)Cl C366625 CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)OC C366630 CC(=O)Nc1cc(cc(c1O)[N+](=O)[O-])Cl C366635 Cc1cnc(s1)NC(=O)C2=C(c3c(cc(s3)Cl)S(=O)(=O)N2C)O C366640 CCNC(=S)Nc1ccc(cc1C(C)(c2ccccc2)O)Cl C366645 c1c(c[nH]c(=O)c1[N+](=O)[O-])Cl C366650 c1cc(ccc1CCNC(=O)c2ccc(cc2)Cl)O C366660 [2H]c1c(c(c(c(c1C(=O)NCCc2ccc(cc2)O)[2H])[2H])Cl)[2H] C366662 c1cc2c(cc1O)Sc3ccc(cc3N2)Cl C366665 c1c(ncnc1Cl)O C366670 c1ccc(c(c1)C(=O)c2ccc(cc2)O)Cl C366690 c1cc(cc(c1)Cl)C(=O)c2ccc(cc2)O C366695 c1cc(ccc1C(=O)c2ccc(cc2)Cl)O C366700 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)O)OC(=O)C)OC(=O)C C366750 c1c(nc[nH]1)Cl C366825 c1c(nc[nH]1)C[C@@H](C(=O)O)Cl C366870 c1c(nc[nH]1)C[C@H](C(=O)O)Cl C366871 c1cc(nn2c1nc(c2)C(=O)O)Cl C366900 c1ccc2c(c1)CCc3ccc(cc3N2)Cl C366920 c1cc(c(cc1Cl)N)C(=O)CC(C(=O)O)N C366940 c1cc(c(cc1Cl)N)C(=O)C[13CH]([13C](=O)O)[15NH2] C366942 c1cc2c(cc1C(=O)CCCl)CCC2 C366970 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4Cl)Cl)CC1 C366975 C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CCl C366980 C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@]46CCC(=O)O6)C)CCl C366985 Cn1ccc2c1ncnc2Cl C366995 c1cc2c(cc[nH]2)c(c1)Cl C367000 c1cc2c(c[14cH][nH]2)c(c1)Cl C367002 c1cc(cc2c1cc[nH]2)Cl C367005 c1cc2c(c(c1)Cl)c(c[nH]2)CC(=O)O C367020 c1nc2c(=O)[nH]c(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)Cl C367150 c1[nH]c(=O)c2c(n1)n(c(n2)Cl)[C@H]3C([C@H]([C@H](O3)CO)O)O C367155 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)Cl)OC(=O)C)OC(=O)C C367165 C(C(=O)O)(Cl)I C367170 c1cc(c(cc1I)Cl)N C367175 c1cc(c(c(c1)Cl)I)N C367180 c1cc(c(c(c1)I)C#N)Cl C367190 c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)O C367210 CN1CCC[C@H]1c2cnc(cc2I)Cl C367220 CN1CCC[C@H]1c2cc(c(nc2)Cl)I C367225 c1cc(c(nc1)Cl)I C367260 c1cnc(cc1I)Cl C367270 c1c(c(c[nH]c1=O)Cl)I C367285 c1cc2c(cc1I)c(ncn2)Cl C367295 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)I)OC(=O)C)OC(=O)C C367300 CCC(=O)OC(C(C)C)Cl C367350 c1cc2cnccc2c(c1)Cl C367400 c1cc2ccncc2c(c1)Cl C367405 c1cc(cc2c1cc(nc2)C(=O)O)Cl.Cl C367425 c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)O C367450 c1cc(c2cnccc2c1S(=O)(=O)O)Cl C367455 c1cc(c2cnccc2c1S(=O)(=O)N3CCNCC3)Cl C367500 c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)Cl C367600 c1cc(c2cnccc2c1S(=O)(=O)Cl)Cl C367605 c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)N3CCCNCC3 C367650 C(C(C(=O)O)O)Cl C367670 COC(=O)[C@H](c1ccccc1Cl)O C367690 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)Cl)C(C)C C367710 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)Cl)C)C([2H])([2H])[2H] C367712 c1cc(ccc1S(=O)(=O)[O-])[Hg+].[Na+].[Cl-] C367750 c1cc(ccc1C(=O)O)[Hg+].[Cl-] C367800 COc1cc(ccc1N)Cl C367820 COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N)Cl C367895 [2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)O[13C]([2H])([2H])[2H])Cl C367907 [2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)O)Cl C367912 COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)O)Cl C367915 COc1ccc(cc1C(=O)NCCc2ccc(cc2)OP(=O)(O)O)Cl C367920 COc1ccc(cc1)C(=O)c2cccc(c2)Cl C367925 COc1ccc(cc1)C(=O)c2ccccc2Cl C367930 COc1cccc(c1C#N)Cl C367935 COCCCCCl C367940 COc1c2cc[nH]c2nc(n1)Cl C367950 COc1nc2c(cc[nH]2)c(n1)Cl C367955 COc1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl C367958 COCCc1ccc(cc1)OCC(CCl)O C367980 COc1cc2c(cc[nH]2)c(c1)Cl C368000 COc1cc(cc2c1cc[nH]2)Cl C368500 CNc1cc(c(cc1Cl)C(=O)O)OC C368650 CN1CCC(CC1)C2(c3ccc(cc3CCc4c2ncc(c4)OC)Cl)O C368680 [2H]C1(CC(CC(N1C)([2H])[2H])C2(c3ccc(cc3CCc4c2ncc(c4)OC)Cl)O)[2H] C368682 CN(C(=O)c1cnc(cn1)Cl)OC C368700 Cc1c(c(cc[n+]1[O-])Cl)OC C368710 COc1cc(ncc1C(=O)O)Cl C368730 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)Cl)Oc4ccccc4OC C368750 COCCCCl C368760 CC(C)(C)C(=O)Nc1ccc(cc1OC)Cl C368770 COc1ccc(cc1)c2ccc(nn2)Cl C368773 Cc1c(ccnc1CCl)OCCCOC C368775 COc1cccc2c1nccc2Cl C368780 COc1ccc(cc1C(=O)NCCc2ccccc2)Cl C368785 CC(C(c1ccc(c(c1)S(=O)(=O)N)OC)Cl)N.Cl C368790 [2H]C([2H])([2H])C(C(c1ccc(c(c1)S(=O)(=O)N)OC)Cl)N.Cl C368792 CNc1ccc(cc1C(=O)c2ccccc2)Cl C369020 Cn1cc(c2c1cccc2Cl)CC(=O)O C369045 CNc1ccc(cn1)Cl C369060 Cc1cccc(c1N)Cl C369070 c1ccc2c(c1)c(ccc2C3CCCCC3)CCl C369165 COc1ccnc(c1OC)CCl.Cl C369170 [2H]c1c(nc(c(c1OC([2H])([2H])[2H])OC)C([2H])([2H])Cl)[2H].Cl C369172 CC1(O[C@H](C[C@H](O1)CCl)CC(=O)OC(C)(C)C)C C369175 COc1cc[n+](c(c1OC)CCl)[O-] C369180 Cn1cncc1Cl C369185 [13CH3]n1[13cH]n[13cH][13c]1Cl C369187 c1c(nc[nH]1)CCl.Cl C369190 CC(C)c1nc(cs1)CCl.Cl C369195 [2H]C([2H])([2H])C(c1nc(cs1)CCl)C([2H])([2H])[2H].Cl C369197 Cc1cnc(c(c1O)C)CCl C369200 COc1c2c(nc(n1)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O C369205 c1ccc(cc1)P(=O)(CCl)c2ccccc2 C369210 CC(=O)c1ccc(c(c1)CCl)O C369215 c1cc(oc1CCl)C=O C369220 CCCOC(=O)OCCl C369225 CC(C)OC(=O)OCCl C369230 Cn1c(=O)cc(s1)Cl C369235 [2H]C([2H])([2H])n1c(=O)cc(s1)Cl C369237 Cc1cnc(c(c1OC)C)CCl.Cl C369240 c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl C374760 c1cc2c(cc1[N+](=O)[O-])c(ncn2)Cl C374785 c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])Cl C374825 c1cc2c(ccnc2cc1Cl)[N+](=O)[O-] C374830 c1c(c(cc(c1Cl)O)O)N=O C374860 [13cH]1[13c]([13c]([13cH][13c]([13c]1Cl)O)O)N=O C374862 Cc1ccc(cc1Cl)[N+](=O)[O-] C374880 CCCCCCCCn1c(=O)cc(s1)Cl C374900 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1c(=O)cc(s1)Cl C374902 c1coc(n1)Cl C374905 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cccc4Cl C374910 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cccc4Cl)([2H])[2H])[2H] C374912 c1cc(cc(c1)Cl)C(=O)OO C374915 c1cc2c(cc1Cl)[nH]c(=O)n2C3CCN(CC3)C=O C374925 CC(C)(c1ccc(cc1)C(=O)CCCCl)C(=O)OC C374930 c1cc-2c(cc1Cl)C(=O)c3c2nc(c(n3)C#N)C#N C374935 CC(=O)C(=O)c1cccc(c1)Cl C379645 C/C(=N\O)/C(=O)c1cccc(c1)Cl C379648 c1ccc(cc1)C(CCCl)O C379650 Cc1cc(ccn1)Cl C379655 c1ccc2c(c1)cnnc2Cl C379660 c1cc(c(cc1N2CCNCC2)Cl)O C379665 Cc1c(ncc(c1OC)C(=O)OC)CCl C369245 Cc1nc(cs1)CCl.Cl C369250 Cc1ccc2c(c1)c([n+](c(n2)CCl)[O-])c3ccccc3 C369255 Cc1c(ccnc1CCl)OCC(F)(F)F.Cl C369260 C1C(OC(=O)N1)CCl C369265 c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)OC(=O)OCCl C369268 Cn1cnc(c1Cl)[N+](=O)[O-] C369270 [13CH3]n1[13cH]n[13c]([13c]1Cl)[N+](=O)[O-] C369272 Cc1cc2c(cccn2)c(c1Cl)[N+](=O)[O-] C369275 COc1ncc(s1)CCl C369280 c1ccc2c(c1)Cc3ccccc3N=C2CCl C369285 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)Cl)Cl C369290 COCCl C369295 CCOC(=O)OCCl C369300 COC(=O)OCCl C369305 Cn1c2cc(cnc2nc1Cl)c3ccccc3 C369310 Cc1c(ccnc1CCl)OC C369315 Cc1c[n+](c(c(c1OC)C)CCl)[O-] C369320 C(C1C(=O)OC(=O)N1)Cl C369325 [2H]C1(C(=O)OC(=O)N1)C([2H])([2H])Cl C369327 Cc1ccccc1C(c2ccccc2)OCCNCl C369330 Cc1c(oc(=O)o1)CCl C369335 C[N+](C)(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)CCl.[Cl-] C369340 Cc1c[nH]c(c(c1=O)C)CCl C369345 Cc1cc2c(cccn2)cc1Cl C369350 Cc1c(ccc2c1nccc2)Cl C369355 Cc1cc(cc2c1nccc2)Cl C369360 COc1cc(c2c(c1OC)C(=O)OC2)CCl C369365 Cc1c(cc[n+](c1CCl)[O-])OCC(F)(F)F C369370 Cc1csc2c1cccc2Cl C369380 Cc1cc2c(s1)Nc3ccccc3N=C2N4CC[N+](CC4)(C)CCl.[Cl-] C369390 CC(C)(C)OC(=O)n1cc(c2c1cccc2)CCl C369400 Cc1cc(c(nc1)CCl)C.Cl C369410 c1ccc2c(c1)cc(c3c2cccc3)CCl C369420 Cc1cc(c(cc1Cl)N)N C369435 Cc1c(cccc1Cl)NC(=O)c2cccnc2O C369440 Cc1nnc2n1c3ccc(cc3c(c2N)c4ccccc4)Cl C369445 Cc1c2ccccc2c(nn1)Cl C369450 Cc1c(cc[n+](c1C(=O)O)[O-])Cl C369455 Cc1cc(c(cc1Cl)[N+](=O)[O-])[N+](=O)[O-] C369460 Cc1cc(ccc1OCC(=O)O)Cl C369470 C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl C369475 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(C=C[C@]34C)O)Cl C369480 CC(CN1c2ccccc2Sc3c1cc(cc3)OC)CCl C369485 CN1CCC(CC1)Cl.Cl C369490 Cn1cnc2c1c(ncn2)Cl C369495 Cn1cnc2c1ncnc2Cl C369500 Cc1c(cc[n+](c1CO)[O-])Cl C369505 Cc1c[n+](ccc1Cl)[O-] C369510 [2H]C1(C(C1([2H])Nc2c(cccn2)C(=O)Nc3c(ccnc3Cl)C)([2H])[2H])[2H] C369517 Cc1ccc(nc1C(=O)O)Cl C369520 Cc1ccnc(n1)Cl C369530 c1c(nc[nH]1)C[C@@H](CCl)N C369535 c1cc(nc(c1)C#N)CCl C369540 c1c(nc(s1)NC(=N)N)CCl.Cl C369545 c1[13c](n[13c](s1)N[13C](=N)N)CCl.Cl C369547 Cc1nncn1c2ccc(cc2C(=O)c3ccccc3)Cl C369550 c1cc(c(cc1Cl)[N+](=O)[O-])N C369555 [2H]c1c(c(c(c(c1N)[N+](=O)[O-])[2H])Cl)[2H] C369557 C(CCCCCl)CCCO C369560 C1COCCN1c2nc(c(s2)C=O)Cl C369565 c1cc(c(nc1)Cl)C=O C369570 CN1CCC[C@H]1c2ccc(nc2)Cl C369575 c1c(cc(c(c1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O C369580 c1cc2c(cc1[N+](=O)[O-])Oc3ccc(cc3C(=O)N2)Cl C369585 c1cc(c2c(c1)Oc3ccc(cc3C(=O)N2)Cl)[N+](=O)[O-] C369590 CN1CC[C@]23c4c5ccc(c4O[C@H]2C=C[C@@H]([C@H]3[C@@H]1C5)Cl)O C369595 c1cc(c(nc1)C(=O)O)Cl C369600 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)[O-].[K+] C370925 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)Cl C371000 c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)Cl C371500 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)N3CCCNCC3.Cl C373500 c1ccc2c(c1)C(=O)C=C(C2=O)Cl C373650 CCOC(=O)c1ccc(nc1)Cl C373680 c1cc(c(nc1)Cl)C(=O)Cl C373700 COc1cc(ccc1Cl)[N+](=O)[O-] C373775 c1ccc(c(c1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])Cl C373820 c1cc(c(cc1Cl)[N+](=O)[O-])C=O C373870 c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Na+] C373875 c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl C373880 c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)O)Cl C373883 c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)Cl C373885 c1cc(c(c2c1n[se]n2)[N+](=O)[O-])Cl C373890 c1cc(c2c(c1[N+](=O)[O-])non2)Cl C373895 c1cc(c(cc1C(=O)Cl)[N+](=O)[O-])Cl C373900 c1c(cc(c2c1[nH]c(=O)o2)[N+](=O)[O-])Cl C373915 c1ccc(cc1)Nc2cc(ccc2[N+](=O)[O-])Cl C373920 [2H]c1c(c(c(c(c1[2H])[2H])Nc2cc(ccc2[N+](=O)[O-])Cl)[2H])[2H] C373922 c1cc(c(cc1[N+](=O)[O-])O)Cl C373925 C([N+](=O)[O-])Cl C373930 c1c([nH]c(n1)Cl)[N+](=O)[O-] C373935 c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] C374050 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])O)O)O C374125 c1cc(c(cc1[N+](=O)[O-])Cl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C374200 CCOC(=O)CC(=O)N(c1ccccc1)c2cc(ccc2[N+](=O)[O-])Cl C374325 [2H]c1c(c(c(c(c1[2H])[2H])N(c2cc(ccc2[N+](=O)[O-])Cl)C(=O)CC(=O)OCC)[2H])[2H] C374327 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C C374525 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C C374530 c1cc(sc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl C374650 c1cncc(c1Cl)[N+](=O)[O-] C374700 CCOC(=O)CCCCC(=O)CCCl C374940 CN1CC(=C(C1=O)c2ccccc2Oc3ccc(cc3)Cl)O C374945 c1ccc(cc1)c2ccccc2NC(=O)CCl C374950 CC1(CCC(=C(C1)CO)c2ccc(cc2)Cl)C C374955 c1cc(cc(c1)Cl)CCc2cccnc2 C374960 c1cc(cc(c1)Cl)CCc2ccc[n+](c2)[O-] C374965 c1ccc2c(c1)Nc3cc(ccc3S2)Cl C374970 c1ccc(c(c1)N)Oc2ccc(cc2)Cl C374980 c1cc(cc(c1)Cl)O C375010 c1cc(ccc1OCCCCCCCl)Cl C375020 C=C(CCCCCCOc1ccc(cc1)Cl)C(=O)O C375050 C=C(CCCCCCOc1ccc(cc1)Cl)C(=O)N2CCC[C@H]2C(=O)O C375070 CC(C)(Cc1ccc(cc1)Cl)N.Cl C375080 [2H]C([2H])([2H])C(C)(Cc1ccc(cc1)Cl)N.Cl C375082 CCN(CC)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)(c3ccccc3)O C375100 CC(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl C375150 c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O C375250 CC(=O)Oc1ccccc1Cl C375375 c1cc(ccc1CC(=O)O)Cl C375400 c1ccc(c(c1)C(=O)Cc2ccc(cc2)Cl)C(=O)O C375450 C#Cc1ccccc1Cl C375500 C#Cc1ccc(cc1)Cl C376500 c1cc(ccc1C(=O)CBr)Cl C377250 c1cc(ccc1N)Cl C377500 [13cH]1[13cH][13c]([13cH][13cH][13c]1N)Cl C377502 c1cc(cc(c1)Cl)C2CNC2 C377545 c1cc(ccc1C2CNC2)Cl C377550 c1ccc(cc1)Nc2cccc(c2)Cl C377600 c1cc(cc(c1)F)COc2ccc(cc2Cl)N C377650 c1cc(cc(c1)Cl)N2CCN(CC2)CCCCl.Cl C377720 c1cc(ccc1NC(=N)NC#N)Cl C377735 [2H]C1(CC(CC(C1([2H])O)([2H])[2H])c2ccc(cc2)Cl)[2H] C377752 c1cc(ccc1C2CCC(=O)CC2)Cl C377800 c1cc(cc(c1)Cl)C2(CCCC2)C(=O)O C377810 c1ccc(c(c1)C(=O)C2CCCC2)Cl C377820 Cc1c(n(nc1C(=O)O)c2ccc(cc2Cl)Cl)c3ccc(cc3)Cl C377830 COc1cc(cc(c1)OC)NC(=O)c2ccc(o2)c3ccc(cc3)Cl C377832 CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)O)c4ccc(cc4)Cl)C C377840 c1ccc(cc1)C(c2ccccc2)c3ccccc3Cl C377890 c1cc(ccc1C2CCC3(CC2)OCCO3)Cl C377895 c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)O C377900 c1cc(ccc1C2(CCC3(CC2)OCCO3)O)Cl C377905 c1cc(ccc1C2=CCC3(CC2)OCCO3)Cl C377920 CC(c1cccc(c1)Cl)N C377950 CCOC(=O)N1CCC(CC1)C(=O)c2c(cccn2)CCc3cccc(c3)Cl C378100 c1cc(ccc1C(CC(=O)O)CC(=O)O)Cl C378250 [2H]c1c(c(c(c(c1C(CC(=O)O)CC(=O)O)[2H])[2H])Cl)[2H] C378252 c1cc(ccc1C2CC(=O)OC(=O)C2)Cl C378300 [2H]c1c(c(c(c(c1C2CC(=O)OC(=O)C2)[2H])[2H])Cl)[2H] C378302 COCCCCC(=O)c1ccc(cc1)Cl C378350 COC(=O)C(c1ccccc1Cl)[N+]2=Cc3ccsc3CC2.[Br-] C378365 COC(=O)C(c1ccccc1Cl)[n+]2ccc3c(c2)ccs3.[Br-] C378370 c1ccc(c(c1)C[N+]2=Cc3ccsc3CC2)Cl.[Br-] C378375 c1ccc2c(c1)c(n[nH]c2=O)Cc3ccc(cc3)Cl C378400 c1ccc(cc1)C(CCN2CCC(CC2)(c3ccc(cc3)Cl)O)(C#N)c4ccccc4 C378430 CC1C(SC[C@H](N1)C(=O)O)(c2cccc(c2)Cl)O C378460 c1cc(ccc1C2(CCNCC2)O)Cl C378480 C[C@H](C(=O)c1cccc(c1)Cl)O C378485 C[C@@H](C(=O)c1cccc(c1)Cl)O C378490 CC(=O)C(c1cccc(c1)Cl)O C378500 CC(=O)C(c1cccc(c1)Cl)O C378505 [2H]C1(C(N2C(c3ccccc3C2(N1)c4ccc(cc4)Cl)O)([2H])[2H])[2H] C378512 c1ccc2c(c1)C(=O)N3C2(NCC3)c4ccc(cc4)Cl C378520 [2H]C1(C(N2C(=O)c3ccccc3C2(N1)c4ccc(cc4)Cl)([2H])[2H])[2H] C378522 CC(C)NC(=N)NC(=N)Nc1cccc(c1)Cl.Cl C378530 c1cc(ccc1NC(=N)NC(=N)N)Cl.Cl C378540 [2H]c1c(c(c(c(c1NC(=N)NC(=N)N)[2H])[2H])Cl)[2H].Cl C378542 Cc1c2c(c(cn1)C(c3ccc(cc3)Cl)O)COC(O2)(C)C C378550 [2H]c1c(c(c(c(c1C(c2cnc(c3c2COC(O3)(C)C)C)O)[2H])[2H])Cl)[2H] C378552 c1ccc(c(c1)CN2CCN(CC2)CCO)c3ccc(cc3)Cl C378700 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)Cc2ccccc2c3ccc(cc3)Cl C378702 CC(=O)CSc1ccccc1Cl C379100 C(CO)CCl C379200 c1ccc(c(c1)N2CCNCC2)Cl C379300 c1cc(ccc1CCOc2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N)Cl C379460 c1c(ccc(c1)Cl)[C@H]2CC[C@@H](CC2)C(=O)O C379470 CCOC(=O)/C=C/1\CN(CCC1O)C(c2ccccc2Cl)C(=O)OC C379480 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)Nc4ccccc4)OC(=O)C)OC(=O)C C379485 c1ccc(c(c1)C2CO2)Cl C379490 c1cc(ccc1NC#N)Cl C379500 c1cc(cc(c1)Cl)C(C#N)C(=O)c2cccnc2 C379505 [2H]c1c(c(c(nc1[2H])[2H])C(=O)C(C#N)c2cccc(c2)Cl)[2H] C379507 c1cc(ccc1C2(CCC2)C#N)Cl C379510 [2H]C1(C(C(C1([2H])[2H])(C#N)c2ccc(cc2)Cl)([2H])[2H])[2H] C379512 c1ccc(c(c1)C(C#N)N2CCc3c(ccs3)C2)Cl C379515 [2H]C1(C(O1)([2H])C([2H])([2H])Cc2ccc(cc2)Cl)[2H] C379522 CCO/C=C/c1ccccc1Cl C379525 c1cc(ccc1[C@@H](CC(=O)[O-])CO)Cl.[Na+] C379528 c1cc(ccc1C(CC(=O)[O-])CO)Cl.[Na+] C379530 [2H]c1c(c(c(c(c1C(CC(=O)[O-])CO)[2H])[2H])Cl)[2H].[Na+] C379532 c1cc(ccc1[C@H](CC(=O)[O-])CO)Cl.[Na+] C379533 c1cc(ccc1C2(CCC(=O)CC2)O)Cl C379535 [2H]C([2H])(Cc1ccc(cc1)Cl)C([2H])(C([2H])([2H])n2ccnc2)O C379542 Cc1cc(ccc1O[C@H](CCCl)c2ccccc2)OC(=O)OC(C)(C)C C379545 c1ccc(cc1)CO[C@H]2CCC(CC2)NC(=O)CCCCCl C379550 Cc1nnc2n1-c3c(cc(s3)CCC(=O)O)C(=NC2)c4ccccc4Cl C379555 Cc1ccccc1O[C@H](CCCl)c2ccccc2 C379560 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H](CCCl)c2ccccc2)[2H])[2H] C379562 Cc1ccccc1O[C@@H](CCCl)c2ccccc2 C379563 Cc1ccccc1OC(CCCl)c2ccccc2 C379564 Cc1nnc2n1-c3c(cc(s3)CCC(=O)OC)C(=NC2)c4ccccc4Cl C379565 Cc1cc2c(nc(=O)[nH]c2s1)c3ccccc3Cl C379570 c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl C379573 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCNCC3 C379574 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCNCC3 C379575 c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCNCC3 C379576 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] C379577 c1cc(ccc1C2CC(=O)NC(=O)C2)Cl C379580 [2H]c1c(c(c(c(c1C2CC(=O)NC(=O)C2)[2H])[2H])Cl)[2H] C379582 c1cc(ccc1C(=O)C2CCNCC2)Cl.Cl C379585 c1cc(cc(c1)Cl)N2CCNCC2 C379590 c1cc(cc(c1)Cl)N2CCNCC2.Cl C379591 c1ccc(cc1)[C@H](CCCl)O C379595 c1ccc(cc1)[C@H](CCCl)O C379596 CCC(=O)C(C#N)c1ccc(cc1)Cl C379600 c1cc(cc(c1)Cl)CC(=O)c2cccnc2 C379605 [2H]c1c(c(c(nc1[2H])[2H])C(=O)Cc2cccc(c2)Cl)[2H] C379607 Cc1nnc2n1-c3c(cc(s3)C#CCO)C(=NC2)c4ccccc4Cl C379610 c1ccnc(c1)C(c2ccc(cc2)Cl)O C379615 Cc1c(c(no1)c2ccccc2Cl)C(=O)Cl C379620 c1cc(ccc1NC(=S)N)Cl C379625 c1cc(ccc1C2CO2)Cl C379630 CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)Sc1ccc(cc1)Cl)OC(C)C C379635 c1cc(ccc1/C=C\2/c3cc(ccc3-c4c2cc(cc4C5CO5)Cl)Cl)Cl C379640 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(c(c2)Cl)O)([2H])[2H])[2H] C379667 c1cc2c(cc1Cl)snc2N3CCNCC3 C379670 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3ccc(cc3sn2)Cl)([2H])[2H])[2H] C379672 c1cc2c(cc1Cl)c(ns2)N3CCNCC3 C379675 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3cc(ccc3sn2)Cl)([2H])[2H])[2H] C379677 c1cc2c(c(c1)Cl)snc2N3CCNCC3 C379680 [13cH]1[13cH][13cH]n[13c]([13cH]1)Cl C380608 c1cc(c[n+](c1)[O-])Cl C380625 c1ccnc(c1)NC(=O)CCl.Cl C380640 c1ccc2c(c1)c(nnc2Cl)Cc3ccncc3 C380650 c1cc(ncc1Cl)NC(=O)c2c(nccn2)CO C380660 c1c(nc(nc1Cl)N)N C380950 c1cc(nc2c1cc(cc2)S(=O)(=O)Cl)Cl C381240 c1cc2c(ccc(c2nc1)S(=O)(=O)O)Cl C381245 c1cc2c(ccc(c2nc1)S(=O)(=O)Cl)Cl C381250 c1cc2ccc(cc2nc1)Cl C381340 c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)C=O)O C381350 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432501 [2H]C1=C2[C@](CC([C@](C2([2H])[2H])([2H])O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C C432502 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C432503 [2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432504 C[C@@H](CCC=C(C)C)CCO C525030 C(C[C@@H](C(=O)O)N)CNC(=O)N C535700 [2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])NC(=O)N C535702 C[C@H]1[C@@H]([C@@](CC(O1)O)(C)OC)O C557480 c1nc2c(nc(nc2n1[C@H]3CC([C@H](O3)CO)O)Cl)N C557500 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559750 [2H]C([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C C559752 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)[14CH3])O)(C)OC)C)C)O)(C)O C559753 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559760 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559770 C[C@@H]1[C@H]2[C@](C(=O)O2)(NC1=O)[C@H](C(C)C)O C562500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3cccc(c3sn2)Cl)([2H])[2H])[2H] C379682 C(CS(=O)(=O)Cl)CCl C379685 C(C(CO)Cl)O C379690 [2H]C([2H])(C([2H])(C([2H])([2H])O)Cl)O C379692 C[C@@H](C(=O)O)Cl C379695 C[C@@H](C(=O)O)Cl C379700 CC(C)NC(=N)NC(=N)Nc1ccc(c(c1)Cl)Cl C379705 C(C(CCl)O)O C379710 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)O C379712 [13CH2]([13CH]([13CH2]Cl)O)O C379713 CC(=O)c1ccc(c(c1)OC)OCCCCl C379715 [2H]C([2H])([2H])Oc1cc(ccc1OCCCCl)C(=O)C C379717 c1ccc(cc1)c2c3cc(ccc3nc(n2)C=O)Cl C379720 c1cc2c(cc1Cl)[nH]c(=O)n2C3CCNCC3 C379725 c1ccc2c(c1)CCc3ccccc3N2CCCCl C379730 c1ccc2c(c1)CCc3cc(ccc3N2CCCCl)C=O C379735 c1ccc2c(c1)CCc3cc(ccc3N2CCCCl)O C379740 CN1CCN(CC1)CCCCl C379745 C1COCCN1CCCCl C379750 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)Cl C379755 C/N=C(/c1ccccc1Cl)\C2(CCCC2)O.Cl C379760 Cc1c(con1)CCCCl C379765 c1ccc(cc1)C(=O)CCCl C379770 C1CN(CCN1CCCCl)CCO C379775 [2H]c1c(c(c(c(c1[2H])C23CCCCC2O3)Cl)[2H])[2H] C379782 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)S(=O)(=O)c4ccccc4 C379790 CCOC(CCCl)OCC C379795 Cn1c(cc(=O)n(c1=O)C)NCCCCl C379800 C/C=C/c1ccccc1Cl C379820 c1cc(ccc1C#N)Nc2nccc(n2)Cl C379835 c1nc(c2[13c](n1)[nH][13cH][15n]2)Cl C379852 c1[nH]c2c(n1)c(ncn2)Cl.Cl C379855 c1cc(ccc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2)Cl C379865 c1cc2ccc(c(c2nc1)O)Cl C379870 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4Cl)C C379885 c1c(c(n[nH]1)C=O)Cl C379890 c1c[nH]c2c1cnc(n2)Cl C379895 c1nc2c(c(n1)Cl)ncn2[C@H]3C([C@H]([C@H](O3)CO)O)O C379900 COC(=O)c1c(nccn1)Cl C379905 c1cc2cc(cc(c2nc1)C(=O)O)Cl C379910 c1c2c([nH]n1)ncnc2Cl C379915 c1cnc(cc1Cl)C(=O)Cl.Cl C379920 c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)O C379925 Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CCl C379930 Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CCl.Cl C379935 Cc1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])OC)Cl C379940 c1ccc2c(c1)CC[C@H](OC2=O)c3cccc(c3)/C=C/c4ccc5ccc(cc5n4)Cl C379945 CNC(=O)c1cc(ccn1)Cl C379950 [2H]C([2H])([2H])NC(=O)c1cc(ccn1)Cl C379952 CNC(=O)c1cc(ccn1)Cl.Cl C379955 C1COCCN1c2c(nsn2)Cl C379960 CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl C379965 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)CC C379967 CC(COCOC)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379970 CC(=O)c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379975 c1cc2c(cccn2)c(c1)Cl C379980 c1cc2c(ccnc2c(c1)O)Cl C379985 COC(=O)c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379990 COC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379991 CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379995 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379996 [2H]C([2H])([2H])C(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)(C([2H])([2H])[2H])O C379997 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 C380000 c1c2c(cc(c1Cl)S(=O)(=O)[15NH2])S(=O)(=O)[15N]=[13CH]N2 C380002 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)n(n1)C C380005 COC(=O)c1ccccc1CCC(=O)c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl C380010 c1cc2c(cc1S(=O)(=O)Cl)C(=O)C(=O)N2 C380015 CCC(=O)c1ccc(c(c1)S(=O)(=O)Cl)OC C380020 [2H]C([2H])([2H])CC(=O)c1ccc(c(c1)S(=O)(=O)Cl)OC C380022 c1c(c(cc(c1S(=O)(=O)N)Cl)O)C(=O)O C380025 c1cc2ccc(c(c2nc1)C(=O)O)Cl C380030 CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)Cl)O C380035 c1c[nH]c2c1ncnc2Cl C380040 CCOC(=O)c1cc(ccc1O)Cl C380045 c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)S(=O)(=O)Cl C380050 CCCN1CCN(CC1)c2cccc(c2)Cl C380100 c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCCl C380310 c1c(nc(cn1)Cl)N C380350 c1c[nH]c2c1ncc(n2)Cl C380400 c1cc2c(ncnn2c1)Cl C380410 c1cc2c([nH]nc2Cl)nc1 C380425 c1cc(nnc1C(=O)O)Cl C380550 c1ccnc(c1)Cl C380605 [2H]c1c(c(nc(c1[2H])Cl)[2H])[2H] C380607 CC(CCCO)Nc1ccnc2c1ccc(c2)Cl C381370 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])O C381372 c1cc(cc(c1)C=O)/C=C/c2ccc3ccc(cc3n2)Cl C381390 COC(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)OC C381395 COc1ccc(c(c1)C(=O)OC)CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C381410 [13cH]1[13cH][13c]([13c]([13cH][13c]1O)O)Cl C381502 c1cc(c(c(c1)Cl)O)C=O C381900 c1cc(c(c(c1)Cl)O)C(=O)O C382000 c1cc(c(cc1Cl)O)C(=O)O C382005 c1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl C382700 c1cc(ccc1/C=C/C(=O)O)S(=O)(=O)Cl C383200 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)[nH]n1 C383500 c1cc(c2c(c1F)non2)S(=O)(=O)Cl C383750 Cc1cncc2c1c(ccc2)S(=O)(=O)Cl C383875 c1cc(ccc1CC(=O)O)S(=O)(=O)Cl C384050 Cc1[nH]c-2c(n1)CCN(c3c2cccc3)C(=O)c4ccc(cc4)NC(=O)c5ccccc5c6ccccc6.Cl C384700 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C C385000 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Cl)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 C386000 CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F C400030 CC(=C)C(=O)OC1CC(N(C(C1)(C)C)Cl)(C)C C410500 C(#N)c1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl C411250 Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cl C411440 [2H]C([2H])([2H])n1c2c(c(=O)n(c1=O)C([2H])([2H])[2H])[nH]c(n2)Cl C411442 c1csc2c1c(ncn2)Cl C411500 c1cc(sc1C(=O)NCC(=O)O)Cl C411800 c1cc(sc1CC2CNC2)Cl C411900 c1cc(sc1C(=O)O)Cl C420500 Cc1ccc(cc1Cl)NC(=O)N(C)C C421600 [2H]C([2H])([2H])N(C(=O)Nc1ccc(c(c1)Cl)C)C([2H])([2H])[2H] C421602 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(cc4)Cl C421650 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4C2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)Cl)O C421680 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)Cl)O)C)OC(O2)(C)C C421685 c1cc(ccc1C(=O)OC[C@@H]2C([C@@H]([C@@H](O2)Cl)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl)Cl C421730 CC[Si](CC)(CC)Cl C421750 c1c(sc(n1)S(=O)CCC(=C(F)F)F)Cl C421760 [2H]C([2H])([2H])n1c2cc(cnc2nc1Cl)c3ccccc3 C421835 CCN(CC)CCCl.Cl C421850 c1cc(c(cc1Cl)C(=O)C(F)(F)F)N C421880 CC(C)(C)[Si](C)(C)Oc1cc(cc(c1N)C(=O)C(F)(F)F)Cl C421884 COc1cc(cc(c1N)C(=O)C(F)(F)F)Cl C421888 CC(C)(C)C(=O)Nc1c(cc(cc1OC)Cl)C(=O)C(F)(F)F C421895 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Nc2ccc(c(c2)C(F)(F)F)Cl)OC(=O)C)OC(=O)C)OC(=O)C C421935 c1cc(c(cc1C(F)(F)F)Cl)C#N C421945 c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Nc3ccc(c(c3)C(F)(F)F)Cl)O)O)O C421950 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)OCc3ccccc3)OC(=O)C C421955 c1ccc2c(c1)c(=O)n(c(n2)CNC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)c4ccc(cc4)F C421960 c1cnc(nc1C(F)(F)F)Cl C421975 CC1([C@H]([C@@H]1C(=O)O)/C=C(/C(F)(F)F)\Cl)C C422000 CC(C)[Si](C(C)C)(C(C)C)Oc1cc(ccc1Cl)NC(=O)C(C)(C)C C422100 Cc1cc2c(nc1C)nc(n2C)Cl C422210 C[Si](C)(C)CCOCn1c2ccccc2nc1Cl C422240 c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)Cl C422260 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC(CCl)O C422280 c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N C423200 c1cc2c(cc1Cl)[nH]cc2CC(C(=O)O)N C423205 c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N C423210 c1c(c(=O)[nH]c(=O)[nH]1)Cl C423775 c1c(c(=O)[15nH][13c](=O)[15nH]1)Cl C423777 c1c(=O)[nH]c(=O)[nH]c1Cl C423780 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)Cl C424100 CC(c1c(c(ncn1)Cl)F)C(Cn2cncn2)(c3ccc(cc3F)F)O C424200 c1cc(ccc1OCC(CO)O)Cl C424250 CN(C)CCC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424300 [2H]C([2H])([2H])N(CCC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C424302 [2H]C([2H])([2H])[NH+](CCC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)[O-])\C(=O)O C424303 CN(C)CC[C@@H](c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424305 CN(C)CC[C@H](c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424306 [2H]C([2H])([2H])C(CC[C@@H](c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O C424307 [2H]C([2H])([2H])N(CC[C@@H](c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O C424308 C[N+](C)(CCC(c1ccc(cc1)Cl)c2ccccn2)[O-] C424310 [2H]C([2H])([2H])[N+](CCC(c1ccc(cc1)Cl)c2ccccn2)(C([2H])([2H])[2H])[O-] C424312 CN(C)CCC(C#N)(c1ccc(cc1)Cl)c2ccccn2 C424315 [2H]C([2H])([2H])N(CCC(C#N)(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C424317 CCN(CC)CCCN1c2ccccc2Sc3c1cc(cc3)Cl C424700 [2H]C([2H])([2H])C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])C([2H])([2H])[2H].Cl C424702 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl C424750 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424752 [2H][13C]([2H])([2H])N(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl C424753 CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl C424800 [2H]c1c(c(c(c(c1S(=O)(=O)NC(=O)NCCC)[2H])[2H])Cl)[2H] C424802 [2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424850 [2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424852 [2H]C([2H])([2H])N(CC/C=C/1\c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424853 [2H]C([2H])([2H])N(CC/C=C/1\c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424857 CN(C)CC/C=C\1/c2ccccc2S(=O)(=O)c3c1cc(cc3)Cl.C(=O)(C(=O)O)O C424860 CN(C)CC/C=C\1/c2ccccc2S(=O)c3c1cc(cc3)Cl.C(=O)(C(=O)O)O C424865 CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl C425300 CCOP(=O)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl C425320 [2H]C([2H])([2H])C([2H])([2H])OP(=O)(Oc1c(cc(c(n1)Cl)Cl)Cl)OC([2H])([2H])C([2H])([2H])[2H] C425322 C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](CC31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O.Cl C426500 C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](CC31)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O.Cl C426501 c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O C427500 [2H]c1c(c(c2c(c1[2H])C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O)[2H])[2H] C427502 c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)Cl)Cl)O C427520 C1CC(=O)C1Cl C427580 c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)Cl)NC4CCCC4 C427650 [2H]C1(CC(CC1([2H])[2H])Nc2c3c(nc(n2)Cl)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O)[2H] C427652 COc1ccc(cc1)/C=C\2/C(=O)N=C(S2)c3ccc(cc3)Cl C427750 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)Cl)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C C427900 [2H]C([2H])([2H])c1cc(cc(c1Cl)C([2H])([2H])[2H])O C427950 c1ccc2c(c1)ccc3c2ccc4c3cccc4 C427952 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c(c4c3c(c(c(c4[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] C428000 CCOCn1c(c(c(c1C(F)(F)F)Br)C#N)c2ccc(cc2)Cl C428002 c1cc2c(cc1Cl)nc(o2)O C428500 [2H]c1c(c(c(c2c1oc(n2)O)[2H])Cl)[2H] C428700 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C[C@H](CC[C@]34C)O)C C428702 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C)C([2H])([2H])[2H] C431502 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C C431700 [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C(C1)([2H])[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[2H] C431702 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)O)C C431800 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)C C432200 C[C@H](C[13CH2][13CH2][13CH]([13CH3])[13CH3])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432492 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[18OH])C)C C432493 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.[Na+] C432500 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C C432505 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C432600 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])C[C@H](C3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C)([2H])[2H])O C432602 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C C432605 [2H][C@@]1(C(C[C@]2([C@@H](C1([2H])[2H])C[C@H](C3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C)([2H])[2H])O C432607 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C432610 C[N+](C)(C)CCO.[Cl-] C432650 [2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] C432652 CC(C)(C(=O)[O-])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl.C[N+](C)(C)CCO C432665 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl C432670 Cc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O C432675 COc1ccc(cc1)C2(C(=C(C(=O)O2)c3ccc4c(c3)OCO4)Cc5cc(c(c(c5)OC)OC)OC)O C432680 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CC2=C(C(=O)OC2(c3ccc(cc3)OC)O)c4ccc5c(c4)OCO5 C432682 CCN(CC)CCc1c(c2ccc(cc2oc1=O)OCC(=O)OCC)C C432685 [2H]C([2H])([2H])C([2H])([2H])N(CCc1c(c2ccc(cc2oc1=O)OCC(=O)OCC)C)C([2H])([2H])C([2H])([2H])[2H].Cl C432687 CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6 C432690 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@H]5[C@H](C[C@@]4([C@@]3(O2)C(=O)COC(=O)C(C)C)C)O)C)([2H])[2H])([2H])[2H])[2H] C432692 [2H]C([2H])([2H])C([2H])(C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6)C([2H])([2H])[2H] C432693 C[C@@](Cc1c[nH]c2c1cccc2)(C(=O)NC[C@@H](c3ccccc3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6 C432695 Cc1c(c2c(cn1)C(OC2)c3ccc(cc3)Cl)O.Cl C432700 [2H]c1c(c(c(c(c1C2c3cnc(c(c3CO2)O)C)[2H])[2H])Cl)[2H].Cl C432702 Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)CCCO3)C C432710 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N(C(=O)c1cc(cc(c1)C)C)NC(=O)c2ccc3c(c2C)CCCO3 C432712 c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O C432730 CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)O C432750 Cc1cc(n(c(=O)c1)O)C2CCCCC2 C432800 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)n2O)C)([2H])[2H])([2H])[2H])[2H] C432802 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)n2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C)([2H])[2H])([2H])[2H])[2H] C432812 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O C432820 [2H]C([2H])([2H])Oc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O C432822 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C#N)F)O)C)OC(O2)(C)C C432950 c1cn(c(=O)nc1N)C[C@@H](CO)OCP(=O)(O)O C433500 CC1(CCCCC1)COc2ccc(cc2)CC3C(=O)NC(=O)S3 C441000 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O C441200 c1ccc(cc1)CC[C@@H](C(=O)O)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O C441210 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(C)OC(=O)OC6CCCCC6)C(=O)OCC C441280 CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC C441375 COc1c(cc(cc1)[C@]2(CC[C@@H](CC2)C(=O)O)C#N)OC3CCCC3 C441430 [2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])(Oc2c(ccc(c2)[C@]3(CC[C@@H](CC3)C(=O)O)C#N)OC)[2H])([2H])[2H])[2H] C441432 c1cc2c(cc1OCCCCc3nnnn3C4CCCCC4)CCC(=O)N2 C441500 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCOc3ccc4c(c3)CCC(=O)N4)([2H])[2H])([2H])[2H])[2H] C441502 CC(C)NCC(c1ccc(c(c1)C#N)N)O C441600 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)C#N)N)O C441602 CC(C)(C)NCC(c1ccc(c(c1)C#N)N)O C441620 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)C#N)N)O C441622 Cc1c(nc[nH]1)CSCCN/C(=N/C#N)/NC C441650 [2H]C([2H])([2H])N/C(=N\C#N)/NCCSCc1c([nH]cn1)C C441652 Cc1c(nc[nH]1)CSCC/N=C(\NC)/NC(=O)N C441660 C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441800 [2H]C([2H])([2H])C(c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441802 C[C@@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441805 C[C@H](c1cccc2c1cccc2)N(CCCc3cccc(c3)C(F)(F)F)[O-] C441810 CCC(CC)(CC(=O)Nc1cccc(c1)/C=C/c2nc(cs2)C3CCC3)C(=O)O C441900 C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c3ccnc4c3cccc4)O C441925 C=C[C@H]1CN2CCC1C[C@H]2[C@H](c3ccnc4c3cccc4)O C441930 C=C[C@H]1CN2CCC1C[C@@H]2[C@H](c3ccnc4c3cccc4)O C441935 C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](c3ccnc4c3cccc4)O C441940 [2H]C1(CC2(CCC1(OC2(C)C)C)[2H])[2H] C441952 C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C C441980 C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C C441985 CCOc1cc(c(cc1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N C441990 c1cc(c2c(c1)oc-3cc(=O)c(c(c3n2)C(=O)O)N)C(=O)O C442000 c1ccc(cc1)/C=C/C#N C442010 COc1cccc(c1)NC(=O)/C=C/c2ccccc2 C442060 COc1ccc(cc1)NC(=O)/C=C/c2ccccc2 C442065 c1ccc(cc1)/C=C/CNCCNS(=O)(=O)c2cccc3c2ccnc3 C442100 c1ccc(cc1)/C=C\CN2CCN(CC2)C(c3ccccc3)c4ccccc4 C465290 [2H]C1(C(N(C(C(N1C/C=C\c2ccccc2)([2H])[2H])([2H])[2H])C(c3ccccc3)c4ccccc4)([2H])[2H])[2H] C465292 c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4 C465300 Cc1ccccc1CO[C@@H]2C[C@]3(CC[C@]2(O3)C)C(C)C C475400 [2H]C([2H])([2H])c1ccccc1C([2H])([2H])O[C@@H]2C[C@]3(CC[C@]2(O3)C)C(C)C C475402 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5CC5)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O C482450 CC(C)(C(=O)O)Oc1ccc(cc1)C2CC2(Cl)Cl C482475 c1c2c(cc(c1F)N3CCNCC3)n(cc(c2=O)C(=O)O)C4CC4 C482500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O)([2H])[2H])[2H] C482501 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O)([2H])[2H])[2H].Cl C482502 c1c2c(cc(c1F)N3CCNCC3)n(cc(c2=O)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5 C482510 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)([2H])[2H])[2H] C482512 c1c2c(cc(c1F)[N+]3(CCNCC3)[O-])n(cc(c2=O)C(=O)O)C4CC4 C482520 c1c2c(cc(c1F)N3CCN(CC3)S(=O)(=O)O)n(cc(c2=O)C(=O)O)C4CC4 C482525 COc1cc(c(cc1C(=O)N[C@@H]2CCN(C[C@H]2OC)CCCOc3ccc(cc3)F)Cl)N C496400 [2H][13C]([2H])([2H])Oc1cc(c(cc1C(=O)N[C@@H]2CCN(C[C@H]2OC)CCCOc3ccc(cc3)F)Cl)N C496402 COc1cc(c(cc1C(=O)N[C@@H]2CC[N+](C[C@H]2OC)(CCCOc3ccc(cc3)F)[O-])Cl)N C496410 C[N+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5[C@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(=O)[O-] C496700 CC1(O[C@H](C[C@H](O1)CC(=O)OC(C)(C)C)CCN)C C497249 CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C C497250 CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CCN)C C497251 C1C[C@@H]([C@H](C1)N)C(=O)O.Cl C497500 [NH4+].[NH4+].Cl[Pt-2]Cl C499500 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C C499700 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C)(C)C)[2H] C499702 CN(C)CCCC1(c2ccc(cc2CO1)C=O)c3ccc(cc3)F C504985 CN(C)CCCC(=O)c1ccc2c(c1)COC2(CCCN(C)C)c3ccc(cc3)F.Br C504990 CN(C)CCCC1(c2ccc(cc2CO1)C#[N+][O-])c3ccc(cc3)F C504995 CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Br C505000 [2H]C([2H])([2H])N(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H] C505002 [2H]C([2H])([2H])N(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505003 CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.C(=O)(C(=O)O)O C505010 [2H]C([2H])([2H])N(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505012 CN(C)CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.C(=O)(C(=O)O)O C505015 [2H]C([2H])([2H])N(CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505017 CN(C)CCC[C@@]1(c2ccc(cc2CO1)C(=O)c3ccc(cc3)F)c4ccc(cc4)F.C(=O)(C(=O)O)O C505020 C[N+](C)(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505025 [2H]C([2H])([2H])[N+](CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505027 C[N+](C)(CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505035 [2H]C([2H])([2H])[N+](CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505037 C[N+](C)(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505045 [2H]C([2H])([2H])[N+](CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505047 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O.[Na+] C508050 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O.[Na+] C508052 [2H]C([2H])(C(=O)O)C(C(=O)O)(C([2H])([2H])C(=O)O)O C521002 CCOC(=O)CC(CC(=O)O)(C(=O)OCC)O C521020 C[N+](C)(C)CCOC(=O)CC(CC(=O)OCC[N+](C)(C)C)(C(=O)NCCSS(=O)(=O)C)O.[Cl-].[Cl-] C521050 C[C@@H]1[C@H](OC=C2C1=C(C(=O)C(=C2O)C(=O)O)C)C C523500 [2H]C([2H])C1=C2[C@@H]([C@H](OC=C2C(=C(C1=O)[13C](=O)O)O)C)C C523502 C1[C@H]2N(C1=O)C[C@H](O2)C(=O)[O-].[Na+] C563700 C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[K+] C563750 C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)N3[C@H](O/C(=C\CO)/[C@@H]3C(=O)O)CC(=O)O C563760 CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.Cl C587035 [2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].Cl C587037 CC[N+](CC)(CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3)[O-] C587040 [2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCC[N+](CC)(CC)[O-])/Cl)[2H])[2H] C587042 C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2.C(C[C@@H](C(=O)O)N)CNC(=N)N C587050 [2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C587052 C[C@@](c1ccccc1)(c2ccc(cc2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O C563770 [2H]c1c(c(c(c(c1[2H])[2H])[C@](C)(c2ccc(cc2)Cl)OCC[C@H]3CCCN3C)[2H])[2H].C(=C/C(=O)O)\C(=O)O C563772 CC(C)(C)NC[C@@H](c1cc(c(c(c1)Cl)N)Cl)O C568500 CC(C)(C)NC[C@H](c1cc(c(c(c1)Cl)N)Cl)O C568502 CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C569990 CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O C569995 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O C569998 [2H]C1(C(C(C(C(C1([2H])NCC(c2cc(c(c(c2)Cl)N)Cl)O)([2H])[2H])([2H])[2H])([2H])O)([2H])[2H])[2H] C570000 CCCC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572502 CC(C)CCNCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572600 [2H]C([2H])([2H])C([2H])(CCNCC(c1cc(c(c(c1)Cl)N)Cl)O)C([2H])([2H])[2H].Cl C572602 CCC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572800 [2H]C([2H])([2H])C([2H])([2H])C(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572802 CC(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O C573000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O C573002 CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)SCC)O C573250 CC/C(=N\OC/C=C\Cl)/C1=C(CC(CC1=O)CC(C)SCC)O C573255 CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)S(=O)CC)O C573270 CC(CCCNCCO)Nc1ccnc2c1ccc(c2)Cl.C(=O)(C(=O)O)O C573500 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NCCO.C(=O)(C(=O)O)O C573502 CCCC(=O)OCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C C573700 [2H]C([2H])([2H])C([2H])([2H])CC(=O)OCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C C573702 Cc1cn(c(=O)[nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)F C574150 C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O.[Br-] C576250 CCCCCC/C=C\Cc1cc(cc(c1)O)O C577500 CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl C578500 [2H]c1c(c(c(c(c1OC(C(=O)C(C)(C)C)n2ccnc2)[2H])[2H])Cl)[2H] C578502 c1c2c(c(c(c1F)N3CCC(C3)N)Cl)n(cc(c2=O)C(=O)O)C4CC4 C579000 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl.Cl C580000 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl)CCC.Cl C580002 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl C580005 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)S(=O)C)O)O)O)C(C)Cl.Cl C580010 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)OP(=O)(O)O)O)[C@@H](C)Cl C580015 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)OP(=O)(O)O)[C@@H](C)Cl C580020 CCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl C580040 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl)CC C580042 CC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl C580050 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl)CC C580052 CN1c2ccc(cc2N(C(=O)CC1=O)c3ccccc3)Cl C582500 [2H]c1c(c(c(c(c1[2H])[2H])N2c3cc(ccc3N(C(=O)CC2=O)C)Cl)[2H])[2H] C582502 C[C@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582985 C[C@@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582990 [2H]C([2H])([2H])[C@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582992 CC(Cc1ccccc1)NCc2ccccc2Cl.Cl C583000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)NCc2ccccc2Cl.Cl C583002 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C C583490 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])Cl)O)C)C)O)F)C C583492 CCCC(=O)OC1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl C583550 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl C583552 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)Cl)C)F C583800 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F C583810 C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F C584500 C[C@H](C(=O)OCC#C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F C584515 c1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl C585600 [2H]c1c(c(c(c(c1S(=O)(=O)N)[2H])S(=O)(=O)N)Cl)[2H] C585602 C.C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].[Na+] C586875 c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)F)Cl)N C586890 c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)Cl)N C586900 CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl C586910 [2H]c1c(c(c(c(c1OC(C)(C)C(=O)OCC)[2H])[2H])Cl)[2H] C586912 CN(C)CCC(c1ccccc1)(c2ccccc2Cl)O.Cl C586920 [2H]c1c(c(c(c(c1[2H])[2H])C(CCN(C)C)(c2ccccc2Cl)O)[2H])[2H].Cl C586922 CN(C)CCC(c1ccccc1)(c2ccccc2Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C586925 CC(C)(C(=O)O)Oc1ccc(cc1)Cl C586930 [2H]c1c(c(c(c(c1OC(C)(C)C(=O)O)[2H])[2H])Cl)[2H] C586932 CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)Cl C586940 [2H]c1c(c(c(c(c1OC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H])Cl)[2H] C586942 CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C587025 [2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].C(C(=O)O)C(CC(=O)O)(C(=O)O)O C587027 CCN(CC)CCOc1ccc(cc1)/C(=C(/c2ccccc2)\Cl)/c3ccccc3.Cl C587030 [2H]c1c(c(c(c(c1[2H])[2H])/C(=C(\c2ccccc2)/c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].Cl C587032 C[N+](C)(CCCN1c2ccccc2CCc3c1cc(cc3)Cl)[O-] C587060 [2H]C([2H])([2H])[N+](CCCN1c2ccccc2CCc3c1cc(cc3)Cl)(C([2H])([2H])[2H])[O-] C587062 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl C587080 [2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl)[2H])[2H] C587082 c1cc(c(c(c1)Cl)NC2=NCCN2)Cl.Cl C587130 [2H]C1(C(N=C(N1)Nc2c(cccc2Cl)Cl)([2H])[2H])[2H].Cl C587132 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)[O-])O)O)O)OC.[Na+] C634090 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)[O-])O)O)O)OC.[Na+] C634092 C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC)[O-] C634095 [2H]C([2H])([2H])[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC)[O-] C634097 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2C=C[C@H]3[C@@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4C)OC)C(=O)OC)OC(=O)C C634120 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC C634122 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5)OC C635000 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccc(cc5)O C636000 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCS)O C636400 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636480 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636490 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636500 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636501 [2H]C([2H])([2H])OC1=C(C(=O)C(=C(C1=O)C)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC([2H])([2H])[2H] C636502 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC C638500 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC C638502 CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C639995 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640000 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640001 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640002 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC([2H])([2H])[2H])OC)OC)OC C640003 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(c(=O)cc3)OC)OC)OC)OC C640006 C[C@@H]1CCC[C@@H](N1NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C C587160 [2H]C([2H])([2H])[C@H]1CCC[C@H](N1NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C([2H])([2H])[2H] C587162 c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)Cl.C(CC(=O)O)C(=O)O C587190 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C/2\c3ccccc3Sc4c2cc(cc4)Cl.CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C C587192 CC(C)(C)C(=O)OCOC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2 C587200 [2H]c1c(c(c(c(c1[2H])C(C(=O)N)N2CCc3c(ccs3)C2)Cl)[2H])[2H] C587227 c1ccc(c(c1)[C@@H](C(=O)O)N2CCc3c(ccs3)C2)Cl C587230 c1ccc(c(c1)[C@@H](C(=O)O)N2CCc3c(ccs3)C2)Cl C587240 [2H]c1c(c(c(c(c1[2H])C(C(=O)O)N2CCc3c(ccs3)C2)Cl)[2H])[2H] C587242 c1ccc(c(c1)C(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N3CCc4c(ccs4)C3)Cl C587245 COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587250 COC(=O)[C@@H](c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587251 [2H]c1c(c(c(c(c1[2H])C(C(=O)OC)N2CCc3c(ccs3)C2)Cl)[2H])[2H].OS(=O)(=O)O C587252 [2H][13C]([2H])([2H])OC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587253 [2H]c1c(c(c(c(c1[2H])C(C(=O)OC([2H])([2H])[2H])N2CCc3c(ccs3)C2)Cl)[2H])[2H].OS(=O)(=O)O C587254 COc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)O)C(c3ccccc3Cl)C(=O)OC C587255 COc1cccc(c1)C(=O)CSC\2CCN(C/C2=C/C(=O)O)C(c3ccccc3Cl)C(=O)OC C587256 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)O)C(c3ccccc3Cl)C(=O)OC C587257 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C/C(=O)O)C(c3ccccc3Cl)C(=O)OC C587258 COC(=O)C(c1ccccc1Cl)N2CCc3ccsc3C2.Cl C587260 COC(=O)C(c1ccccc1Cl)N2CCC(/C(=C\C(=O)O)/C2)S C587270 CCOC(=O)/C=C/1\CN(CCC1SCC(=O)c2cccc(c2)OC)C(c3ccccc3Cl)C(=O)OC C587275 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)OCC)C(c3ccccc3Cl)C(=O)OC C587277 COc1cccc(c1)C(=O)CSC2=C(CN(CC2)C(c3ccccc3Cl)C(=O)OC)CC(=O)O C587280 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC2=C(CN(CC2)C(c3ccccc3Cl)C(=O)OC)CC(=O)O C587282 Cc1c(c(c(c(n1)C)Cl)O)Cl C587285 CN(CCc1cccs1)[C@@H](c2ccccc2Cl)C(=O)OC C587290 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O C587295 c1cc(cc(c1)Cl)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O C587300 c1cc(nc(c1Cl)C(=O)O)Cl C587350 c1c[13c]([15n][13c](c1Cl)C(=O)O)Cl C587352 c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-].[OH-].[K+].[K+] C587365 [2H]c1c(c(c(c(c1[2H])[2H])C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-])[2H])[2H].[OH-].[K+].[K+] C587367 c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl C587380 Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl.[NaH] C587390 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C C587395 c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 C587400 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)(c3ccccc3Cl)n4ccnc4)[2H])[2H] C587402 c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)n4ccnc4 C587405 CCc1cc2c(s1)N(C(=O)CN=C2c3ccccc3Cl)C C587410 [2H][13C]([2H])([2H])N1c2c(cc(s2)CC)C(=NCC1=O)c3ccccc3Cl C587412 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)Cl C587430 COCCCC/C(=N\OCCN)/c1ccc(cc1)Cl.C(=C\C(=O)O)\C(=O)O C587450 [2H]C([2H])([2H])OCCCC/C(=N\OCCN)/c1ccc(cc1)Cl C587452 Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] C587460 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13c]3c(no[13c]3[13CH3])c4ccccc4Cl)C(=O)[O-])C.[Na+] C587462 c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Cl)Cl C587475 [2H]C1(C(OC2(N1CC(=O)Nc3c2cc(cc3)Cl)c4ccccc4Cl)([2H])[2H])[2H] C587477 CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl C587500 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Nc4c2cccc4)Cl)([2H])[2H])[2H] C587502 C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-] C587520 [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1(=O)[Co]2[Co]1C2=O C633100 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 C633400 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OCC C633402 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC.Cl C633500 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC C633502 [2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 C633503 C[N@@+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC)[O-] C633510 [2H]C([2H])([2H])[N@@+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC)[O-] C633512 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC C634075 [HH].CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC.OOP(=O)=O C634080 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC C634082 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC([2H])([2H])[2H] C634083 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)OS(=O)(=O)C)OC C634085 COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)NC(=O)CCSS(=O)(=O)C C640030 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O C640050 *.CN.CN.CN.CN.OS(=O)(=O)O C641500 C[C@@](O)(C1Oc2c(c3oc(=O)ccc3cc2)C1)C C642500 COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC C643000 COc1ccc(cc1OP(=O)([O-])[O-])/C=C\c2cc(c(c(c2)OC)OC)OC.[Na+].[Na+] C643025 c1c(=O)c(coc1C(=O)O)O C643500 C1=C[C@@H]([C@H]([C@H]([C@@H]1O)O)O)O C645000 C1=C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O C665000 [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O C666000 CC(=O)O[C@H]1C=C[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C C666500 C1=C[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O C667000 COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/CO C684400 CCCCC/C=C/C=C/CCCCCCCCC(=O)O C685000 Cc1c2/cc/3\[15n]c(/cc\4/c(c(/c(/[15nH]4)c/c5[15n]/c(c\c(c1CCC(=O)O)[15nH]2)/C(=C5CCC(=O)O)C)C)CCC(=O)O)C(=C3CCC(=O)O)C C685402 CCCCCCC(C)(C)c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O C781310 [2H]C1(CC[C@@H](C(C1([2H])O)([2H])[2H])c2ccc(cc2O)C(C)(C)CCCCCC)[2H] C781312 CCCCCCC(C)(C)c1ccc(c(c1)OCc2ccccc2)[C@H]3CCC[C@H](C3)O C781315 c1cc(=O)[nH]c2c1[nH]cc2C3=CCNCC3 C781320 c1ccnc(c1)N2CCN(CC2)Cc3cc4cc(ccc4[nH]3)F C781330 COCCOc1cc2c(cc1OCCOC)ncnc2Cl C781340 C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N C781350 CC(C)c1ccc(cc1)CC(=O)N2CCC[C@H](C2)c3cccc(c3)OC(C)(C)C(=O)O C781351 CN(C)C(=O)[C@@H]([C@H](Cc1ccccc1)NC(=O)c2cc3cc(ccc3[nH]2)Cl)O C781355 CN(C)CCCNc1c2ccccc2nc(n1)/C=C/c3ccc(cc3)OC C781360 c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2.[Cl-] C685500 c1nc(c2c(n1)n(cn2)[C@H]3C(C[C@H](O3)CO)O)N C685800 c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH2][13C@H](O3)[13CH2]O)O)N C685802 COc1cc2c(cc1O)[C@@H]3Cc4cc(c(cc4CN3CC2)OC)O C687500 c1ccc(cc1)C(=O)O[C@@H]2C[C@H]3[C@@H]([C@H]2CO)CC(=O)O3 C694990 c1ccc(cc1)c2ccc(cc2)C(=O)O[C@@H]3C[C@H]4[C@@H]([C@H]3CO)CC(=O)O4 C695000 c1c(cc(c(c1O)O)O)C(=O)O[C@H]2C([C@@H]3[C@@H](C(O2)COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)O)O)O C695400 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O C695700 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3[C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])O)C)O)C C695702 CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C C695710 [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)O C696302 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)c5ccccc5)O)C)O C696310 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O C696315 [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O C696317 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)O)O)C)O C696320 [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COS(=O)(=O)O)O C696322 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C C696500 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@@]3([C@@H](CC2([2H])[2H])[C@@H]4CC[C@@]([C@]4(C(C3=O)([2H])[2H])C)(C(=O)C([2H])([2H])O)O)[2H])C C696502 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O C696510 C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)C C696700 [2H]c1c(c(c(c(c1[2H])[2H])n2c3c(cn2)C[C@@]4([C@H]5[C@H](C[C@]6([C@H]([C@@H]5C=C(C4=C3)C)C[C@H]([C@@]6(C(=O)COC(=O)C)O)C)C)O)C)[2H])[2H] C696702 CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC C697500 C[N+]1(CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC)C.[I-] C697520 C[N+]1=Cc2c(cc3c(c2OC)OCO3)CC1.[Cl-] C717500 C[N+]1=Cc2c(cc3c(c2OC)OCO3)CC1.[I-] C717520 CN1[C@H](CCC1=O)c2cccnc2 C724990 CN1[C@@H](CCC1=O)c2cccnc2 C725000 [2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2 C725002 CN1C(CCC1=O)c2cccnc2 C725004 [2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2 C725005 [2H][13C]([2H])([2H])N1C(CCC1=O)c2cccnc2 C725007 CN1C(CCC1=O)c2ccccn2.O[ClH](=O)(=O)O C725010 CN1[C@@H](CCC1=O)c2cccnc2.OCl(=O)(=O)=O C725015 CN1C(CCC1=O)c2ccccn2 C725050 CN1[C@@H]([C@H](CC1=O)C(=O)N)c2cccnc2 C725100 CN1C(CCC1=O)c2cc(cnc2)C(=O)O C725140 CN1[C@H]([C@H](CC1=O)C(=O)O)c2cccnc2 C725150 CN1[C@H]([C@H](CC1=O)C(=O)OC)c2cccnc2 C725155 CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H](C=C(O3)C(=O)[O-])O)O C725160 CN1C(CCC1=O)c2ccc[n+](c2)[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O.[Cl-] C725165 CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725170 CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725175 [2H]C([2H])([2H])N1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725177 [2H]C([2H])([2H])N1[C@@H](CCC1=O)c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O C725180 CN1[C@@H](CCC1=O)c2ccc[n+](c2)[O-] C725200 [2H]C([2H])([2H])N1C(CCC1=O)c2ccc[n+](c2)[O-] C725203 CC(=O)CC(c1ccc(cc1)Cl)c2c(c3ccccc3oc2=O)O C745000 CCOP(=S)(OCC)Oc1ccc2c(c(c(=O)oc2c1)Cl)C C745300 c1ccc2c(c1)cnc(=O)o2 C755360 c1cc(ccc1/C=C/C(=O)O)O C755365 c1cc(ccc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C755370 [2H]c1c(c(c(c(c1/C=C/C(=O)O)[2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H] C755372 c1cc(ccc1/C=C/C(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] C755375 [2H]c1c(c(c(c(c1/C=C/C(=O)O)[2H])[2H])OS(=O)(=O)O)[2H] C755377 c1ccc2c(c1)ccc(=O)o2 C755380 [2H]c1c(c(c2c(c1[2H])ccc(=O)o2)[2H])[2H] C755382 B1(OC(C(O1)(C)C)(C)C)c2ccc3ccc(=O)oc3c2 C755400 Cc1cc(=O)oc2c1ccc(c2)NC(=O)CCCCCCC(=O)NO C755500 c1cc(ccc1/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O)O C756300 c1cc(cc2c1ccc(=O)o2)OS(=O)(=O)C(F)(F)F C756450 c1ccc2c(c1)CCCC2c3c(c4ccccc4oc3=O)O C765600 c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O C781000 Cc1cc(ccc1n2c(nc3ccccc3c2=O)C)Br C781200 COc1ccccc1CN[C@@H]2[C@@H](N3CCC2CC3)C(c4ccccc4)c5ccccc5 C781210 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(cc3)Br.Cl C781220 c1ccc(cc1)c2nnc3n2c4cc(ccc4nc3N)Cl C781230 COc1ccccc1CN[C@@H]2CCCN[C@@H]2c3ccccc3 C781240 COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC.Cl C781250 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)Nc4c(cccn4)[N+](=O)[O-] C781275 CN(c1ccc(c(c1)CN[C@H]2CCCN[C@H]2c3ccccc3)OC)S(=O)(=O)C C781290 CCCCN(CC)c1c2c(cn(c2nc(n1)C)c3c(cc(cc3C)C)C)C.Cl C781295 CC(C)(C(=O)NO)NS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)F C781305 c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc4c(c3)CCN(C4)Cc5[nH]ncn5 C781370 CN(CCC(c1ccc(cc1)Cl)Oc2ccc(cc2)C(=O)c3nccs3)CC(=O)O C781380 CC(C)c1ccc(cc1)COC(=O)N2CCC[C@H](C2)c3cccc(c3)OC(C)(C)C(=O)O C781390 CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCSS(=O)(=O)C)(C)C)S(=O)(=O)[O-].[K+] C960530 c1ccc2c(c1)c(c[nH]2)C(=O)CC#N C962220 COc1ccc2c(c1)c(c[nH]2)C(=O)CC#N C962250 Cn1cccc1C(=O)CC#N C962255 c1cc([nH]c1)C(=O)CC#N C962265 c1ccc(c(c1)C=O)C#N C962270 c1ccc(c(c1)CN)C#N C962275 c1cc(cc(c1)S(=O)(=O)Cl)C#N C962280 c1cc(ccc1CN)C#N C962285 c1cc(ccc1CNC(=O)[C@@H]2CCN2)C#N C962290 c1cc(cc(c1)C#N)CN C962295 [C-]#[N+]c1ccc(cc1)CBr C962300 c1cc(ccc1C#N)C(=O)O C962325 CCC[C@@H](C(=O)OC)NCc1ccc(cc1)c2ccccc2C#N C962340 CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)O)Br)C C962350 c1cc(cc(c1)Cl)CCc2cccnc2C#N C962450 c1cc(cc(c1)Cl)CCc2cnccc2C#N C962455 c1cc(c(nc1)C#N)Cl C962500 c1cc(ncc1Cl)C#N C962510 c1cc(ccc1C#N)c2cc3ccc(cc3[nH]2)C#N C962560 CC(C)(C)OC(=O)NC(CC1CCC1)C(C#N)O C962580 CCOC(=O)C(=C1CCCCC1)C#N C962600 C1CCC(C1)C#N C962650 CCOC(=O)c1ccc(cc1)N(C)Cc2c(nc3c(n2)c(nc(n3)N)N)C#N C963000 c1ccc(c(c1)C#N)c2ccc(cc2)C(Br)Br C978750 CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)N3CCCC3)O)C C979100 CCOC(=O)Cc1cc2n(c(=O)c1C#N)CCC23OCCO3 C979190 CC1(C=Cc2cc(ccc2O1)C#N)C C979325 CN(C)S(=O)(=O)CC#N C979350 CCOc1cccc(c1)N/C=C(\C#N)/C(=O)OCC C979375 CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)O C979425 CCOc1ccc2c(c1)ncc(c2O)C#N C979450 CCOC(=O)c1c[nH]nc1N/C=C(\C#N)/C(=O)OCC C979500 CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O C781400 CCNC1(CCN(CC1)c2c3c(ncn2)n(c(n3)c4ccccc4Cl)c5ccc(cc5)Cl)C(=O)N.Cl C781410 CN1CC(=O)NC1=N C781420 [2H]C([2H])([2H])N1CC(=O)NC1=N C781500 [13CH3]N1[13CH2][13C](=O)N=[13C]1N C781502 CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N C781503 Cc1ccccc1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C781800 Cc1ccccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C781995 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] C782000 COc1cc2c(cc1OC)C3CCCN3CC2 C782002 C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc(nc2N)c3cnn(c3)C4CCNCC4 C783500 [2H]C1(CC(CC(N1)([2H])[2H])n2cc(cn2)c3ccc(c(n3)N)O[C@H](C)c4c(ccc(c4Cl)F)Cl)[2H] C785000 CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)N3CCCC3=O)O)C C785002 c1cc2c(c(c1)OCC(COc3cccc4c3c(=O)cc(o4)C(=O)[O-])O)c(=O)cc(o2)C(=O)[O-].[Na+].[Na+] C795000 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c(=O)cc(o2)C(=O)[O-])O)Oc3cccc4c3c(=O)cc(o4)C(=O)[O-].[Na+].[Na+] C815002 CCN(c1ccccc1C)C(=O)/C=C/C C818000 CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C C818500 C[N+](C)(C)C/C=C/C(=O)[O-] C818800 [2H]C([2H])([2H])[N+](C/C=C/C(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H] C818802 C1COCCOCCOCCOCCOCCO1 C824875 CN(C)C(=O)[C@H]1[C@@H](OCCOCCO[C@H]([C@@H](OCCOCCO1)C(=O)N(C)C)C(=O)N(C)C)C(=O)N(C)C C824900 C1CO[C@H]([C@H](OCCOCCO[C@H]([C@H](OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O C825000 CC(C)(C)c1ccc(c(c1)Cl)OP(=O)(NC)OC C825500 [2H]C([2H])([2H])NP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC([2H])([2H])[2H] C825502 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C C827500 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@@H](CC2(C)C)O)C)/C)/C C827505 COc1cc2c(cc1OCCCCCCC(=O)NO)c(ncn2)Nc3cccc(c3)C#C C834500 CC(C)(C)CC(=O)N(Cc1cccc(c1)OC)[C@H]2C[C@H](N(C2)Cc3ccc4c(c3)OCO4)C(=O)N5CCNCC5 C835000 COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O C838500 [2H]C(Oc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC([2H])([2H])[2H])O)([2H])[2H] C838502 COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C838510 [2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C838512 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)/C=C/C(=O)CC(=O)/C=C/c3ccc(c(c3)OC)O)C(=O)OC)OC(=O)C C838515 CCCC[N+](CCCC)(CCCC)CCCC.COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OS(=O)(=O)[O-] C838520 [2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC([2H])([2H])[2H])OS(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC C838522 CN1CCC[C@H]1CC(=O)CC2CCCN2C C845000 [2H]C([2H])([2H])N1CCC[C@@H]1CC(=O)C[C@@H]2CCCN2C([2H])([2H])[2H] C845002 CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(=O)C)OC.[Cl-] C856000 c1cc2c(cc1C(=O)N3CCCCC3)OCCO2 C858000 CC(CN1c2ccccc2Sc3c1cc(cc3)C#N)CN(C)C C951500 [2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N)C([2H])([2H])[2H] C951502 CC(CN1c2ccccc2S(=O)c3c1cc(cc3)C#N)CN(C)C C951570 [13C](#N)N C952502 CCNc1nc(nc(n1)Cl)NC(C)(C)C#N C953500 [2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC(C)(C)C#N C953502 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.[Cl-] C953670 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.[Cl-] C953680 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4C([C@H]([C@@H](CO4)O)O)O)O)O.[Cl-] C953700 CN(CCCCC#N)CCN(Cc1ccc(cc1)OC)c2ccccn2 C955750 CC(C)NC(=N)NC#N C955800 CC(C)(C)OC(=O)C[C@H](C[C@@H](CC#N)O)O C955900 CC(C)(C)OC(=O)C[C@@H](C[C@@H](CC#N)O)O C955901 CCCN(CCC)C(=O)CC#N C956000 CC(C)(C)OC(=O)CC(=O)C[C@@H](CC#N)O C956100 C[C@]12CCC(=O)C=C1CC([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C#N C956160 C(#N)Br C956400 [13C](#N)Br C956402 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O)O)O)O.[Cl-] C958000 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)O)S(=O)(=O)[O-])C.[K+] C958450 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)O)S(=O)(=O)[O-])C.[K+] C958480 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)S(=O)(=O)[O-])C.[K+] C958500 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)S(=O)(=O)[O-])C.[K+] C958600 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CC)(C)C)S(=O)(=O)O.[K+] C958800 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C959000 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C959050 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCN6C(=O)C=CC6=O)S(=O)(=O)[O-])C.[K+] C959070 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCN5CC(C[C@@H]6[C@@H]5[C@H](C7(O6)CCC8C9CC=C1C[C@H](CCC1(C9CC8=C7C)C)O)C)C)(C)C)S(=O)(=O)[O-].[K+] C959300 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCN5C(=O)C=CC5=O)S(=O)(=O)[O-])C.[K+] C959850 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C960010 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])C.[K+] C960050 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960300 CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960330 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCN)(C)C)S(=O)(=O)[O-].[K+] C960360 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCNC(=O)OC(C)(C)C)(C)C)S(=O)(=O)[O-].[K+] C960365 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960380 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)S(=O)(=O)[O-].[K+] C960400 CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)S(=O)(=O)[O-].[K+] C960430 CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCSS(=O)(=O)C)(C)C)S(=O)(=O)[O-].[K+] C960500 C(CSC[C@H](C(=O)O)N)C#N C979600 CC(C)N(C(C)C)P(OCCC#N)Cl C980000 C1C(O1)C#N C980100 CCOC(=O)C(C)N(CCC#N)Cc1ccccc1 C980125 C(CNCC(=O)O)C#N C980210 CC(C#N)c1cc2ccccc2[nH]1 C980450 C(COP(=O)([O-])[O-])C#N.[Ba+2] C980950 C(COP(Cl)Cl)C#N C981000 CC(C)[C@@H](C(=O)O)NCCC#N C981080 [2H][C@@H](C#N)C([2H])([2H])N[C@@H](C(C)C)C(=O)O C981082 c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)C#N)F C981200 COc1c(c[nH]c(=O)c1C#N)Cl C981310 CO[13c]1c(c(=O)[nH][13cH][13c]1Cl)C#N C981312 C(#N)NC(=N)N C981350 C(#[15N])[15NH]C(=[15NH])[15NH2] C981352 c1cn(cn1)C#N C981750 c1cc(c2c(c1)[nH]cc2CC(=O)O)C#N C981770 c1cc(cc2c1cc[nH]2)C#N C981780 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C#N)Cl)CC1 C981800 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4C#N)Cl)CC1 C981805 CN(Cc1c(nc2c(n1)c(nc(n2)N)N)C#N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC C981820 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(C#N)c2ccc(cc2)OC)O)[2H] C981892 CNC1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981900 CN[C@@H]1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981901 [2H]C([2H])([2H])NC1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981902 CN[C@H]1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981905 CC1(O[C@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C C981910 CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C C981911 CCOC(=C(C#N)C#N)C C981915 CCO[13C](=C(C#N)C#N)[13CH3] C981917 c1ccc2c(c1)cc([nH]2)CC#N C981920 c1ccc2c(c1)c(ccc2C3CCCCC3)CC#N C981925 Cn1c(c2ccccc2n1)C#N C981930 [2H]C([2H])([2H])C(C#N)c1ccc(c2c1cccc2)C3CCCCC3 C981937 Cc1cc(ccn1)C#N C981940 Cc1cccc(n1)C#N C981945 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C C981950 C(C#N)SCC(=O)O C981965 c1cc2cc(ccc2cc1C#N)O C981980 c1c(c(cc2c1[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-])C#N C982000 c1cc(ncc1[N+](=O)[O-])C#N C982025 c1cc2c(cc1C#N)COC2=O C982075 c1cc2c(cc1C#N)C(=O)OC2 C982080 c1cc(ncc1C#N)C(=O)O C982085 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C#N)OC)O C982090 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C#N)OC)O C982092 CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCC#N C982100 COc1ccc(cc1)C(C#N)C2(CCCCC2)O C982103 Cc1ccc(c2c1CCC2)C#N C982105 CCC(C#N)(c1ccccc1)C(=O)N C982106 [2H]c1c(c(c(nc1[2H])[2H])C#N)[2H] C982108 c1cc2c(cc1C#N)[nH]c(=O)c(=O)[nH]2 C982110 c1ccc2c(c1)Nc3cc(ccc3S2)C#N C982115 c1cc(ccc1C#N)NC(=N)N C982120 c1cc(ccc1C#N)NCC(=O)O C982125 [2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)OCC C982132 COCOC1CCCN(C1)c2ccccc2C#N C982140 c1c(cncn1)C#N C982145 c1ccc(c(c1)C#N)N2CCCC(C2)O C982150 c1cc(ncc1S(=O)(=O)Cl)C#N C982155 CC(=O)C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N C982160 CN1CCN(C(C1)c2ccccc2)c3c(cccn3)C#N C982165 c1ccnc(c1)C#N C982170 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(n2)C#N)OC(=O)C)OC(=O)C C982175 c1[nH]nc(n1)C#N C982185 C1CN(C(=N)N1)CC(=O)O C982200 C1CN([14C](=N1)N)CC(=O)O C982220 C1CC[C@@H]([C@H](C1)O)O C984500 [13CH2](C#N)[13C](=O)[O-].[Na+] C987492 CC(C)CNC(=O)NC(=O)CC#N C987500 CC(=O)c1ccc(cc1)C#N C987505 [2H]c1c(c(c(c(c1C#N)[2H])[2H])C(=O)C)[2H] C987507 c1cc([nH]c(=O)c1C#N)O.[NaH] C987510 c1cc(c(cc1C=O)C#N)F C987515 c1cc2c(cc[nH]2)cc1C#N C987520 CC/C(=C(/C#N)\C(=O)OCC)/C C987530 [2H]C([2H])([2H])C/C(=C(/C#N)\C(=O)OCC)/C C987532 c1cc(ccc1C#N)NN.Cl C987535 C1CNCCC1C#N C987540 C1CCNC(C1)C#N C987545 C1CCNC(C1)[13C]#N C987547 CC(CCC(=O)O)(C#N)SC(=S)c1ccccc1 C987560 [2H]C([2H])([2H])C(C#N)(C([2H])([2H])[2H])O C987577 Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)C#N C987580 Cc1ccc(cc1)c2c(nc(n2S(=O)(=O)N(C)C)C#N)Cl C987600 [2H]C([2H])([2H])N(C([2H])([2H])[2H])S(=O)(=O)n1c(nc(c1c2ccc(cc2)C)Cl)C#N C987602 CCOC(CCC#N)OCC C987630 Cc1ccc(c(c1)OCCOc2c(cccc2N(CC(=O)OC)CC(=O)OC)/C=C/C#N)N(CC(=O)OC)CC(=O)OC C987650 CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 C987660 CC(=O)Nc1cccc(c1)c2ccnc3n2ncc3C#N C987670 B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)C#N C987680 Cc1cc2n(c(=O)c1C#N)CC(C2=O)C(=O)OC C987690 [13c]1(n[13c](n[13c](n1)Cl)Cl)Cl C987697 c1c[n+](ccc1C#N)[O-] C987700 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)NC#N C987705 CC(C)OC(=O)N[C@H]1Cc2c3cc(ccc3[nH]c2C1)[N+]#[C-] C987710 c1(nc(nc(n1)O)O)O C987715 [13c]1(n[13c](n[13c](n1)O)O)O C987717 C1CCC(CC1)NS(=O)(=O)O C987720 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NS(=O)(=O)O)([2H])[2H])([2H])[2H])[2H] C987722 [2H]C1(C23C1(CCC(=O)C2)[C@H]4CC[C@]5([C@H]([C@@H]4CC3)CCC5=O)C)[2H] C987727 Cc1c(sc(n1)N)C2=N/C(=N/c3ccc(cc3)N4CCOCC4)/N=CC2 C987730 CC1[C@H]2Cc3ccc(cc3[C@]1(CC[N@@]2CC4CC4)C)O C987735 [2H]C1(CC1)C([2H])([2H])[N@]2CC[C@@]3(c4cc(ccc4C[C@@H]2C3C)O)C C987737 CC1[C@@H]2Cc3ccc(cc3[C@@]1(CC[N@]2CC4CC4)C)O C987740 [2H]C1(CC1)C([2H])([2H])[N@@]2CC[C@]3(c4cc(ccc4C[C@H]2C3C)O)C C987742 C1CNCCNCCNCCN1 C987745 CN(C)CCC=C1c2ccccc2C=Cc3c1cccc3.Cl C987750 [2H]C([2H])([2H])N(C)CCC=C1c2ccccc2C=Cc3c1cccc3.Cl C987752 C[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)[O-])O)O)O C987755 C[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[O-] C987760 [2H]C([2H])([2H])[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[O-] C987762 c1cc(c(cc1Cl)Cl)NC(=O)C2(CC2)C(=O)O C987765 CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2 C987775 [2H]C([2H])(C)C1(C(=O)NC(=O)NC1=O)C2=CCCCC2 C987777 CC(C1CCC1)O C987790 C1CCC(NCC1)C2CCC2.Cl C987795 CC(C)(C)OC(=O)NC(CC1CCC1)C(=O)N(C)OC C987800 CN1CCN(CC1)C(c2ccccc2)c3ccccc3.Cl C987805 [2H]C1(CN(CC(N1C(c2ccccc2)c3ccccc3)([2H])[2H])C)[2H].Cl C987807 CC1=CCCC(C1C=O)(C)C C987820 CC1=C(C(CCC1)(C)C)C=O C987825 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])C=O)(C)C)[2H] C987827 C(C1[C@@H]2[C@@H](C([C@@H](O1)O[C@H]3[C@@H](C([C@@H](O[C@H]4[C@@H](C([C@@H](O[C@H]5[C@@H](C([C@@H](O[C@H]6[C@@H](C([C@@H](O[C@H]7[C@@H](C([C@@H](O[C@H]8[C@@H](C([C@@H](O2)OC8CO)O)O)OC7CO)O)O)OC6CO)O)O)OC5CO)O)O)OC4CO)O)O)OC3CO)O)O)O)O)O C987830 CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)OC(=O)C C987835 CC1=C(C(CCC1)(C)C)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[Br-] C987850 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)(C)C)[2H].[Br-] C987852 C1CCC(=O)C=CC1 C987860 C1CCC(CC1)(CC(=O)O)CC(=O)O C987865 CC1=C(C(CCC1)(C)C)CO C987870 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])CO)(C)C)[2H] C987872 C1CCCC(CC1)CN C987875 CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C.Cl C987880 [2H]c1c(c(c(c(c1N2C(=NC(=NC2(C)C)N)N)[2H])[2H])Cl)[2H].Cl C987882 C1C[C@@H](CC=C1)C(=O)O C987885 C1CC(=O)CC(=O)C1 C987890 C1C[13C](=O)[13CH2][13C](=O)C1 C987892 [13CH2]1[13CH2][13C](=O)[13CH2][13C](=O)[13CH2]1 C987893 CC1(COC2(CCC(=O)CC2)OC1)C C987895 C1[C@@H](CC[C@H](C1)CO)CO C987900 C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O C987905 c1ccc(cc1)COC2CCC(CC2)C(Cc3ccccn3)(C4CCCCC4)O C987910 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(Cc2ccccn2)(C3CCC(CC3)OCc4ccccc4)O)([2H])[2H])([2H])[2H])[2H] C987912 c1ccnc(c1)/C=C(\C2CCCCC2)/C3CCC(CC3)O C987915 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])/C(=C\c2ccccn2)/C3CCC(CC3)O)([2H])[2H])([2H])[2H])[2H] C987917 c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)OCCC4CCCCC4)N C987920 c1ccc(cc1)[C@](C2CCCCC2)(C(=O)O)O C987923 c1ccc(cc1)[C@@](C2CCCCC2)(C(=O)O)O C987924 c1ccc(cc1)C(C2CCCCC2)(C(=O)O)O C987925 C1CCC(CC1)C2CCCCCN2.Cl C987930 C1CCC(CC1)[C@H](C(=O)O)N C987935 CCOC(=O)C=C1CCCCC1 C987940 C1CC[C@H]([C@@H](C1)CO)CO C987945 CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C C987950 C1CC=CC=C1 C987965 CCOC(=O)C1=CCC=CC1 C987975 [2H]C1(CC(=O)CC(C1([2H])[2H])([2H])[2H])[2H] C987982 CCNC1(CCCCC1)c2ccccc2.Cl C987985 [2H]C([2H])([2H])C([2H])([2H])NC1(CCCCC1)c2ccccc2.Cl C987987 [2H]C1(C(=O)C(C(C(=O)C1([2H])[2H])([2H])[2H])([2H])[2H])[2H] C987992 CC(C)(C)NC(CO)COc1ccc(cc1)NC(=O)NC2CCCCC2 C987995 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)NC(=O)NC2CCCCC2)NC(C)(C)C)O C987997 C1CCC2(CC1)O[C@H]3C(O2)[C@H]([C@H](C(C3O)O)O)O C988000 C1CCC(CC1)C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O)N C988005 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O)N)([2H])[2H])([2H])[2H])[2H] C988007 c1cc(ccc1NC(=O)NC2CCCCC2)OCC3CO3 C988010 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)NC(=O)NC3CCCCC3)[2H] C988012 COc1cc(ccc1OCCC2CCCCC2)/C=C/3\C(=O)NC(=O)S3 C988015 [2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2OC)/C=C/3\C(=O)NC(=O)S3 C988017 c1cc(ccc1NC(=O)NC2CCCCC2)O C988025 C[N+]1(Cc2cc(cc(c2NC1)Br)Br)C3CCCCC3.C(=O)(C(F)(F)F)O C988030 C1CCC2(CC1)OC3[C@H](OC(C3O2)O)CO C988035 CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC3(O2)CCCCC3 C988045 c1ccc2c(c1)cccc2C3CCCCC3 C988055 CCCC1C(=O)N(C(=S)N1[C@@H](C)C(=O)O)C2CCCCC2 C988060 Cc1cc(oc(=O)c1)C2CCCCC2 C988065 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)o2)C)([2H])[2H])([2H])[2H])[2H] C988067 c1ccc(cc1)C[C@@H](C(=O)NC2CCCCC2)N C988070 c1ccc(cc1)C[C@@H](C(=O)NC2CCCCC2)N.C(=O)(C(F)(F)F)O C988075 C1CCC(CC1)NP(=O)(N)N C988090 CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C(=O)O C988100 C1CCC(CC1)[C@@H]2C[C@@H](NC2)C(=O)O.Cl C988110 C1CCC(CC1)CCC=O C988120 C1CCC(CC1)CCCN2CC([C@H]([C@@H](C2CO)O)O)O C988150 C1CCC(CC1)CCCN2C[C@H](C([C@@H](C2CO)O)O)O.Cl C988160 CC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](C1CCCCC1)NC(=O)c2cnccn2 C988200 c1cc(ccc1CCNC(=O)NC2CCCCC2)S(=O)(=O)N C988210 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NCCc2ccc(cc2)S(=O)(=O)N)([2H])[2H])([2H])[2H])[2H] C988212 CCCC1C(=O)N(C(=S)N1[C@@H](C)C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C(=O)OCc4ccccc4)C5CCCCC5 C988220 c1cc(ccc1CCNC(=O)NC2CCCCC2)S(=O)(=O)NC(=O)NC3CCCCC3 C988250 C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C C988270 CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C C988300 COC(=O)c1cccc(c1NCc2ccc(cc2)c3ccccc3C#N)[N+](=O)[O-] C988320 CC(C)(C)OC(=O)N(Cc1ccc(cc1)c2ccccc2C#N)c3c(cccc3[N+](=O)[O-])C(=O)OC C988325 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4C#N)C(=O)OC C988330 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4C#N)C(=O)OC C988332 CCCCC(=O)NC1(CCCC1)C(=O)NCc2ccc(cc2)c3ccccc3C#N C988340 c1cc(c[n+](c1)[C@H]2[C@H](C([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3C4[C@@H]([C@@H](O3)n5cnc6c5ncnc6N)OP(=O)(O4)O)O)O)C(=O)N C988350 CC(CC1CCCC1)NC.Cl C988355 COC(=O)[C@@H]1CC[C@@H](C1)C(=O)O C988360 [SiH2]1[SiH2][SiH2][SiH2][SiH2]1 C988380 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 C988400 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 C988405 C1CCC(C1)C(=O)O C988410 c1ccc2c(c1)c3c4c(c5c(c3[nH]2)cccn5)CCC4 C988415 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CC3CCCC3 C988420 CN(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O.Cl C988430 c1cc(c(cc1Cl)C2CCCC2)O C988460 Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)C3CCCC3 C988490 CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)C3CCCC3 C988500 C1CCC(C1)[C@@H](C(=O)O)N C988515 B(/C=C/C1CCCC1)(O)O C988530 C1CCC(NCC1)C2CCCC2.Cl C988540 Cn1cc(c2c1ccc(c2)NC(=O)OC3CCCC3)Cc4ccc(cc4OC)C(=O)O C988550 c1ccc(c(c1)C2CCCC2)O C988565 [2H]C1(COP(=O)(NC1([2H])[2H])N(CCCl)CCCl)[2H] C988582 C1CC1C#N C988590 [2H]C1(C(C1([2H])C(=O)N)([2H])[2H])[2H] C988617 B(C1CC1)(O)O C988620 CC(C)(c1cccc(c1)C(=O)C2CC2)C(=O)O C988625 CC(C)(c1ccc(cc1)C(=O)C2CC2)C(=O)O C988630 CC(C)(c1ccc(cc1)C(=O)C2CC2)C(=O)OC C988635 c1c2c(c(c(c1F)F)O)n(cc(c2=O)C(=O)O)C3CC3 C988638 CCOC(=O)c1cn(c2c(c1=O)cc(c(c2F)F)OC)C3CC3 C988640 COc1c2c(cc(c1F)F)c(=O)c(cn2C3CC3)C(=O)O C988650 c1ccc(c(c1)CC(=O)C2CC2)F C988655 c1cc(ccc1CCOCC2CC2)O C988665 c1cc(ccc1CCOCC2CC2)OCC3CO3 C988670 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)CCOCC3CC3)[2H] C988672 CC(C)(C(=O)c1ccc(cc1)S(=O)(=O)C)OC(=O)COCC2CC2 C988675 c1ccc2c(c1)C(=O)N(C2=O)OCC3CC3 C988680 C1CC1COCC(=O)O C988685 [2H]C1(C(C1([2H])[2H])COCC(=O)O)[2H] C988687 c1ccc2c(c1)c(c(c(n2)C3CC3)CO)c4ccc(cc4)F C988690 [2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)CO)([2H])[2H])[2H] C988692 C1CC1CN C988695 C[C@@H](c1ccc2c(c1)N(CCO2)CC3CC3)NC(=O)/C=C/c4ccccc4F C988700 c1ccc(c(c1)C(=O)C(=O)C2CC2)F C988705 c1ccc(c(c1)C#CC2CC2)F C988710 [2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)C=O)([2H])[2H])[2H] C988712 Cc1cc(ccc1F)C(CC(=O)O)C2CC2 C988715 c1cc(c(cc1C(=O)O)OCC2CC2)OC(F)F C988720 [2H]C1(C(C1([2H])[2H])COc2cc(ccc2OC(F)F)C(=O)O)[2H] C988722 C1CC1CBr C988725 CN[C@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O C988730 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OC(F)F)OCC3CC3 C988735 CN[C@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O C988740 C1CC1CO[NH].Cl C988750 Cc1ccnc(c1[N+](=O)[O-])NC2CC2 C988760 Cc1ccnc(c1N)NC2CC2 C988765 CN(C1CC1)C2CCNCC2 C988770 COC(=O)CC(=O)C1CC1 C988775 [2H]C1(C(C1([2H])C(=O)CC(=O)OC)([2H])[2H])[2H] C988777 c1ccc(cc1)C2C(=O)N=C(O2)NC3CC3 C988785 [2H]c1c(c(c(c(c1[2H])[2H])C2C(=O)N=C(O2)NC3CC3)[2H])[2H] C988787 c1c2c(c(c(c1F)F)F)n(cc(c2=O)C(=O)O)C3CC3 C988790 CCOC(=O)c1cn(c2c(c1=O)cc(c(c2F)F)F)C3CC3 C988795 C1C(C(=O)NO1)N C988800 [2H]C1(C(C(=O)[15NH]O1)([2H])N)[2H] C988802 C(C1C(=O)NC(C(=O)N1)CON)ON C988810 C1[C@H](C(=O)NO1)N C988815 c1c2c(cc(c1O)F)n(cc(c2=O)C(=O)O)C3CC3 C988830 CCOC(=O)c1cn(c2cc(c(cc2c1=O)OC)F)C3CC3 C988835 CCOC(=O)C(=CN(c1ccc(c(c1)F)OC)C2CC2)C(=O)OCC C988840 c1cc2c(cc1F)c(=O)oc(=O)n2CCC3CC3 C988845 CCOC(=O)c1c(c2cc(ccc2n(c1=O)CCC3CC3)F)O C988850 CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2C3)OC(=O)C(c4ccccc4)(c5ccccc5)O C988860 C/C=C/C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C C988890 c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O D103545 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)C(=O)OC)OC(=O)C D103550 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3coc4cc(ccc4c3=O)O)C(=O)OC)OC(=O)C D103551 CC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O[Si](C)(C)C(C)(C)C)OC)OC D103555 c1cnccc1N D113500 [2H]c1c(nc(c(c1N([2H])[2H])[2H])[2H])[2H] D113502 CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C D120000 C/C=C/C(=O)C1=C(C=CCC1(C)C)C D134500 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O D136500 [2H]C([2H])([2H])N(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O D136502 CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)N)N D136515 [2H]/C(=C\C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C)/C([2H])([2H])[2H] C988892 [2H]/[13C](=C\C[C@@H](C)C(C(C(=O)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)OC(=O)C)/[13C]([2H])([2H])[2H].CCCC.CCCC C988893 C/C=C/C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OS(=O)(=O)O C988895 C/C=C/C[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O C988900 [2H]/[13C](=C\C[C@@H](C)[C@H](C(C(=O)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)O)/[13C]([2H])([2H])[2H].CCCC.CCCC C988901 [2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O)/C([2H])([2H])[2H] C988902 CCCCN[C@H](C)C(=O)C(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988903 [2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@@H](C)NCCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988904 CCCCN[C@@H]([C@@H](C)O)C(=O)C(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988905 [2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H]([C@@H](C)O)NCCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988907 CCCC.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC.C/C=C/C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H](C(C)C)NC)N(C)C)O C988910 [2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H](C(C)C)NC)N(C)C)O)/C([2H])([2H])[2H].CCCC.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988912 CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/CO)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988915 CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C C988920 [2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)CCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC C988922 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)[C@@H]3C[C@@H]4C[C@H]3C=C4 C988960 Cc1ncc(c(n1)N)CN(C=O)/C(=C/2\CCOC(=O)S2)/C C988970 c1cc2ccc1C(=O)OCCCCOC(=O)c3ccc(cc3)C(=O)OCCCCOC(=O)c4ccc(cc4)C(=O)OCCCCOC2=O C988975 CC1([C@@H]([C@@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)/C=C(/C(F)(F)F)\Cl)C C988980 CC1(C(C1C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C C989000 c1ccc2c(c1)CCc3ccccc3C2C(=O)N C989040 Cc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@@H](C5)N6CCCCC6)n(n3)C C989050 Cc1cc(nc(n1)Nc2ccccc2)C3CC3 C989060 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O C989090 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2([C@H]5C[C@H]5C1=O)C)C)(C(=O)C([2H])([2H])[2H])O)Cl C989092 [2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@@]2([C@H]5C[C@]5(C1=O)[2H])C([2H])([2H])[2H])C)([13C](=O)[13C]([2H])([2H])[2H])O)Cl C989093 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C C989100 [2H][13C]([2H])([2H])[13C](=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)C(=O)C C989102 C1CC1Nc2nc(nc(n2)N)N C989300 [2H]C1(C(C1([2H])[2H])Nc2nc(nc(n2)N)N)[2H] C989302 C(CSCC(C(=O)O)N)C(C(=O)O)N C989495 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N C989500 C(CS)N.Cl C992000 C([C@@H](C(=O)O)N)S(=O)(=O)O.O C994500 CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)O)N)O.C(=O)(C(F)(F)F)O C994750 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)O)N)O.C(=O)(C(F)(F)F)O C994752 C([C@@H](C(=O)O)N)S C995000 [2H][C@@](C(=O)O)(C([2H])([2H])S)[15NH2] C995002 C([C@@H](C(=O)O)N)S.O.Cl C995005 C(C(C(=O)O)N)S C995015 [13CH2](C(C(=O)O)N)S C995017 C(CC(=O)NC(C(=O)NCC(=O)O)SCSCC(C(=O)O)N)C(C(=O)O)N C995500 C(C(C(=O)O)[NH3+])SS(=O)(=O)[O-].O C997200 C([C@@H](C(=O)O)N)S(=O)O.O C997750 C([C@@H](C(=O)O)N)SS(=O)(=O)C[C@@H](C(=O)O)N C997825 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N C997860 [13CH2]([13C@@H]([13C](=O)O)[15NH2])SS[13CH2][13C@@H]([13C](=O)O)[15NH2] C997862 COC(=O)[C@H](CSC)N.[Cl] C997900 c1cn(c(=O)nc1N)[C@H]2[C@@H](C([C@H](O2)CO)O)O C998100 [13cH]1[13cH]n(c(=O)n[13c]1N)[C@H]2[C@@H](C([C@H](O2)CO)O)O C998102 c1cn(c(=O)nc1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998105 [13cH]1[13cH]n(c(=O)n[13c]1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998107 c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)O C998300 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998305 c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)OP(=O)(O)O.c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)OP(=O)(O)O)O C998310 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+] C998315 c1cn(c(=O)nc1N)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)[O-].[Na+] C998320 c1cc2n(c(=O)c1)C[C@H]3C[C@@H]2CNC3 C998500 c1c[nH]c(=O)nc1N C998950 c1c[15nH][13c](=O)[15n]c1N C998952 c1ccc(cc1)C(=Cc2ccc(cc2)N3c4ccc(cc4C5C3CCC5)/C=C\6/C(=O)N(C(=S)S6)CC(=O)O)c7ccccc7 D100000 CCN1C(=O)/C(=c\2/n(c(=O)/c(=C/c3ccc4c(c3)C5CCCC5N4c6ccc(cc6)C=C(c7ccccc7)c8ccccc8)/s2)CC(=O)O)/SC1=S D100020 CCCCCCCCN1C(=O)/C(=c\2/n(c(=O)/c(=C\c3ccc4c(c3)C5CCCC5N4c6ccc(cc6)C=C(c7ccccc7)c8ccccc8)/s2)CC(=O)O)/SC1=S D100035 CC(C)C(CCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl D100045 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(CCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl D100047 CC(C)C(CCCNC)(C#N)c1ccc(c(c1)OC)OC D100050 CC(=O)Nc1ccc(nc1N)NCc2ccc(cc2)F.Cl D100065 [2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)NC(=O)C)[2H])[2H])F)[2H].Cl D100067 CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)N3c4ccccc4C[C@H]3C(=O)N[C@@H](CCCCNC(=O)OCc5ccccc5)C(=O)OC D100080 Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccn5 D100085 Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4 D100090 [2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4 D100092 [2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)OCC)c4ccccn4 D100097 CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)S(=O)(=O)NCCSS(=O)(=O)C D100100 CCCCCCOC(=O)NC(=N)c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4.CS(=O)(=O)O D100150 CN(C)/N=N/c1c(nc[nH]1)C(=O)N D101400 [2H]C([2H])([2H])N(C([2H])([2H])[2H])N=Nc1c(nc[nH]1)C(=O)N D101402 COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)O)Cl)Cl D101650 [2HH].[2HH].Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)N[C@H](C=O)[C@@H](C)O)N)C)C(=O)N[C@H](C=O)[C@@H](C)O D102500 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C D102700 c1cc(ccc1c2coc3cc(ccc3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D103490 CC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)OC(=O)C D103495 c1cc(ccc1c2coc3cc(ccc3c2=O)O)O D103500 [2H]c1cc(cc(c1O)[2H])c2coc3c(c(ccc3c2=O)O)[2H] D103501 [2H]c1cc2c(=O)c(coc2c(c1O)[2H])c3c(c(c(c(c3[2H])[2H])O)[2H])[2H] D103502 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)O[Si](C)(C)C(C)(C)C D103505 c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O.[K+] D103510 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)O)O)O D103515 c1cc(ccc1c2coc3cc(ccc3c2=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] D103520 c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)OS(=O)(=O)[O-].[Na+].[Na+] D103525 c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)O D103530 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)OS(=O)(=O)O)C(=O)OC)OC(=O)C D103535 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)O)O)O D103540 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)OC D136525 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C D145000 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2([13C]#[13CH])O)CCC4=Cc5c([13cH]no5)C[C@]34C D145002 CN1C[C@@H]2C[C@H]1CN2c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)O.CS(=O)(=O)O D153400 [2H]C([2H])([2H])N1C[C@@H]2C[C@H]1CN2c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)O.CS(=O)(=O)O D153402 CN(C)c1cccc2c1cccc2S(=O)(=O)O D172860 [2H]C([2H])([2H])N(c1cccc2c1cccc2S(=O)(=O)O)C([2H])([2H])[2H] D172862 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCS D172900 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSS(=O)(=O)C D173500 CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NCCSS(=O)(=O)C D177000 CN(C)c1cccc2c1cccc2S(=O)(=O)Cl D177500 [2H]C([2H])([2H])N(c1cccc2c1cccc2S(=O)(=O)Cl)C([2H])([2H])[2H] D177502 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN D179500 CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O D180500 CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O D180505 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSSCCC(=O)NN D181500 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+] D181900 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)C(=O)C D198070 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=C/C(=N/NC(=O)N)/C=C[C@]45C)C)/C(=N/NC(=O)N)/C D198080 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198250 CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198260 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C D229585 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C D229590 CCCC1=C[C@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl D229595 c1ccc-2c(c1)Cc3ccccc3-n4c2cnc4N.Cl D229600 C[C@]12CC[C@@H]3c4ccc(cc4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O)O D229605 C[C@]12CC=C3c4ccc(cc4CC[C@H]3[C@@H]1CCC2(C#C)O)O D229610 Cc1c2ccc3cc(cc(c3c2ccc1O)C=C)O D229615 C[C@]12CC[C@@H]3c4ccc(cc4C=C[C@H]3[C@@H]1CC[C@@H]2O)O D229620 [2H]C([2H])([2H])N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC D230787 [2H]C([2H])([2H])N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC([2H])([2H])[2H])OC)OC)OC D230788 CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC.Br D230795 CC1CN(CCN1)c2c(cc3c(c2F)n(cc(c3=O)C(=O)O)C4CC4)F D230800 CN(C)Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-].[Na+] D230805 [2H]C([2H])([2H])N(Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-])C([2H])([2H])[2H].[Na+] D230807 CNCCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl D230810 [2H]C([2H])([2H])NCCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl D230812 CN1CCC(CC1)COc2cc3c(cc2O)c(ncn3)Nc4ccc(cc4F)Br D231365 [2H]C1(CC(CC(N1C)([2H])[2H])COc2cc3c(cc2O)c(ncn3)Nc4ccc(cc4F)Br)[2H] D231367 CCSCCSP(=O)(OC)OC D231370 CCS(=O)(=O)CCSP(=O)(OC)OC D231375 CCS(=O)CCSP(=O)(OC)OC D231380 CCOP(=O)(OCC)SCCS(=O)(=O)CC D231385 CCOP(=O)(OCC)SCCS(=O)(=O)CC D231390 c1cc(ccc1c2ccc(o2)/C=N/N3CC(=O)NC3=O)[N+](=O)[O-].[NaH] D185000 c1cc(ccc1c2ccc(o2)/C=N/N3[13CH2][13C](=O)N[13C]3=O)[N+](=O)[O-] D185002 CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC D185070 CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D185370 CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 D185400 Cc1ccccc1N2CCN(CC2)CCc3nnc4n3CCCC4.Cl D185450 Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C D185500 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])Nc2ccnc(n2)Nc3ccc(cc3)C#N)C([2H])([2H])[2H])[2H])C([2H])([2H])[2H] D185502 CN(C)[C@@H](CCOc1cccc2c1cccc2)c3ccccc3.Cl D185700 [2H]C([2H])([2H])N([C@@H](CCOc1cccc2c1cccc2)c3ccccc3)C([2H])([2H])[2H].Cl D185702 C[N+](C)([C@@H](CCOc1cccc2c1cccc2)c3ccccc3)[O-] D185710 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)N D193250 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2ccc(cc2)N)[2H] D193252 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])N)[2H])[2H])[2H] D193255 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NO D193260 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2ccc(cc2)NO)[2H] D193262 CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)c4ccccc4N)C D193350 [2H]c1c(c(c2c(c1[2H])c(c([nH]2)[2H])C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)c4ccccc4N)C)NC(=O)CCCCCCCCC)[2H])[2H] D193352 CN1CCCN(CC1)c2ccc(cc2)C(=O)Nc3c(cccc3O)NC(=O)c4ccc(cc4)OC.C(=C\C(=O)O)\C(=O)O D193375 [2H]C([2H])([2H])Oc1ccc(cc1)C(=O)Nc2cccc(c2NC(=O)c3ccc(cc3)N4CCCN(CC4)C)O.C(=C\C(=O)O)\C(=O)O D193377 c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N.Br D193400 [2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])N3CCC(C3)C(c4ccccc4)(c5ccccc5)C(=O)N D193402 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N D193500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N D193502 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D193510 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)S(=O)(=O)c5ccc(cc5)N D193515 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl D193600 [2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])[2H] D193602 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CC(=O)O)Cl D193605 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CC[N+](CC4)(CCO)[O-])Cl D193610 [2H]C1(C([N+](C(C(N1c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])([2H])[2H])(CCO)[O-])([2H])[2H])[2H] D193612 CCOC(=O)CN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C D193615 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)Cl D193635 CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O)O D193850 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O)O)C2=O D193852 [2H]C([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O)O)C2=O D193853 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O.Cl D194490 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O.Cl D194500 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)C2=O D194502 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)([C@@H](C)O)O)N)O D194510 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)([C@@H](C)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)C2=O D194512 CC1[C@H]([C@@H](C[C@H](O1)O)N)O.Cl D194750 c1ccc(cc1)C2N(O2)S(=O)(=O)c3ccccc3 D194900 c1cc(c(cc1N2C[C@@H](OC2=O)CN=[N+]=[N-])F)N3CCOCC3 D195600 c1ccc2c(c1)C(=O)N(C2=O)C[C@H]3CN(C(=O)O3)c4ccc(c(c4)F)N5CCOCC5 D195610 [2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)N(CCC(=O)OCC)c4ccccn4 D195652 [2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)N(CCC(=O)OCC)c4ccccn4.C(=O)(C(=O)O)O D195662 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)C D198000 [2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)C)O D198002 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=C/C(=N/NC(=O)N)/C=C[C@]45C)O)C)/C(=N/NC(=O)N)/C D198040 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198265 CCCC(=O)c1cc(ccc1OCC(CNC(C)C)O)NC(=O)CCC.Cl D198500 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)CCC)NC(=O)CCC)O)NC(C)C.Cl D198502 C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)c6ccccc6)O)O D198650 COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3C(CC2)N)O D198895 COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3[C@H](CC2)N)O D198900 COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3C(CC2)NC(=O)C(F)(F)F)O D198905 COc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)N D198915 COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198920 COc1ccc-2c(cc1=O)[C@@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198921 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)N D198925 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)[C@@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198928 CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198929 CN(C)CCN1c2ccccc2SC([C@H](C1=O)O)c3ccc(cc3)O.Cl D198930 C[N+](C)(CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC)[O-] D198935 COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)NC=O D198940 CC(=O)N(CC(CNc1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I D198945 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CCC1O)C)C(C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])O)C)O)C.[Na+] D198950 c1cc(ccc1N2CCNCC2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl D198955 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl)([2H])[2H])[2H] D198957 c1cc(c(cc1N2C[C@@H](OC2=O)CN)F)N3CCOCC3 D198960 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O[C@@H]8[C@@H](C([C@H](CO8)O)O)O)C)O D198965 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)OC(=O)C)C)O)C)OC)C)O D198975 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)O)C)OC)C)O D198980 [2H]C([2H])([2H])C(CN1CCC2(CC1)NC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N4)\C)C)O)C)O)C)O)C)OC)C)C3=N2)C([2H])([2H])[2H] D198982 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C3=O)/C=N/N5CCN(CC5)C)C2=O)\C)C)O)C)O)C)O)C)OC)C)O D198990 CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C D199000 C[C@H]1C[C@]2([C@@H](CC[C@@]2(C(=O)C)O)[C@H]3[C@H]1[C@H]4CCC(=O)C=C4CC3)C D199005 [2H]C([2H])([2H])C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C)O D199007 CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC D199010 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[N@@](Cc3c1[nH]c4c3cccc4)CC(=C2)CC)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C D199012 COCCCC/C(=N/O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)/c2ccc(cc2)C(F)(F)F D199050 CCOc1ccccc1OCCN[C@H](C)Cc2ccc(cc2)OC D199800 c1cnc(c2c1n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)N D200875 c1c[nH]c2c1c(=O)[nH]c(n2)N D201325 c1c[nH]c2c1nc([nH]c2=O)N D201330 c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)ON4C(=O)CCC4=O D201350 c1cn(c2c1c(=O)[nH]c(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O D201390 c1c(c2c([nH]1)c(=O)[nH]c(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O D201400 c1c[nH]c2c1c(=O)[nH]cn2 D201600 c1c[nH]c2c1c(=O)[nH]c(n2)S D201700 c1c2c(ncn1)N=CC2 D201950 c1cn(c(=O)cc1O)[C@H]2C([C@H]([C@H](O2)CO)O)O D203240 C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)O)C)O)C D203500 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)OCc5ccccc5)N)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D204080 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccc(cc5)OCc6ccccc6)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D204085 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccc(cc5)OCc6ccccc6)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@H]3O)O)OC(=O)C)C)OC(=O)C D204090 CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccc(cc6)OCc7ccccc7)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)C)OC(=O)C D204095 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3O)(C4(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)OC(=O)C D204100 CCCCC(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C D204500 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C D205125 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)N)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C D205135 c1ccc2c(c1)CCN(C2)C(=N)N D208700 c1ccc2c(c1)CCN(C2)[13C](=[15NH])[15NH2] D208702 c1c[nH]c2c1/C(=C\3/C(=O)N=C(N3)N)/CCNC2=O D208900 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N6C(=O)C(OC6=O)(C)C)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D209700 CCCCC/C=C/C=C/C=O D210500 CS(=O)(=O)SCCCCCCCCCCSS(=O)(=O)C D210875 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 D211100 CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OCc4ccccc4)O D212050 CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 D212090 C1CC[C@@H]2CN[C@H](C[C@@H]2C1)C(=O)O.Cl D212130 CC1([C@H]([C@H]1C(=O)O)C=C(Br)Br)C D212400 C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C D212440 C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C D212450 C(CCCCO)CCCC(CO)O D212500 CCCCCCCCCC(=O)O D212525 CCCCCCCC[13CH2][13C](=O)O D212527 CCCCCCCCC(C)OS(=O)(=O)C D212550 CCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O D212600 C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O D212700 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)\C)/C)/C)/C D212900 [2H]C1(C(=C(C(CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(CCC2(C)C)([2H])[2H])C([2H])([2H])[2H])\C)\C)\C)/C)/C)/C)C([2H])([2H])[2H])[2H] D212902 CCCC(C)(CO)COC(=O)N D213000 CCCN(CCC)CCc1cccc(c1CO)N D213500 CC1COc2c3n1ccc(=O)c3cc(c2N4CCN(CC4)C)F D215400 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CC(=O)O.Cl D215500 c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCO D215510 c1cn(c2cc(c(cc2c1=O)F)N3CCNCC3)C4CC4 D220500 CCN1CCN(CC1)c2cc3c(cc2F)c(=O)ccn3C4CC4 D220700 CC1CN(CCN1)c2c(cc3c(=O)ccn(c3c2OC)C4CC4)F D221500 COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)ccn2C5CC5 D221550 [2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C D221602 C/C=C/C=C/C=C/C=C/C=O D225000 C/C=C/C=C/C=C/C=C/C(=O)O D225500 [C@@H]12[C@H]3[C@H](C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O[C@@H]1[C@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl D226200 C1C2[C@@H]3C(C1C4[C@@H]2[C@@]5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)[C@]6(C(=C([C@@]3(C6(Cl)Cl)Cl)Cl)Cl)Cl D226205 c1c(c(c(c(c1Br)Br)[C@H]2CC3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Br)Br D226210 C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl D226215 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4cccc(c4)Br.Cl D226260 c1cc2c(c(c1)Cl)CCc3cccnc3C2=C4CCNCC4 D226275 c1cc2c(nc1)C(=C3CCNCC3)c4cc(ccc4CC2)Cl D226280 c1cc2c(c(c1)Cl)C(=C3CCNCC3)c4c(cccn4)CC2 D226285 c1cc(c(cc1Cl)Cl)c2c(nc(nn2)N)N D226300 CCOC(=O)N1CCC(=C2c3cccc(c3CCc4c2nccc4)Cl)CC1 D226325 CCOC(=O)N1CCC(=C2c3cc(ccc3CCc4c2nccc4)Cl)CC1 D226330 CCOC(=O)N1CCC(=C2c3c(cccc3Cl)CCc4c2nccc4)CC1 D226335 CN1CCC(=C2c3cccc(c3CCc4c2nccc4)Cl)CC1 D226350 CN1CCC(=C2c3cc(ccc3CCc4c2nccc4)Cl)CC1 D226355 CN1CCC(=C2c3c(cccc3Cl)CCc4c2nccc4)CC1 D226360 CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)c3ccc(cc3)Cl)O)(c4ccccc4)c5ccccc5 D226380 [2H]C([2H])([2H])N(C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)c3ccc(cc3)Cl)O)(c4ccccc4)c5ccccc5)C([2H])([2H])[2H] D226382 C1CNP(=O)(OC1)NCCCl D226400 [2H]C([2H])(C([2H])([2H])Cl)NP1(=O)NCCCO1 D226402 C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(cc3OC)OC)O2)OC D226450 c1cc(cc(c1)Cl)c2ccc(cc2)C3(CCN(CC3)CCCC(=O)c4ccc(cc4)F)O D226470 c1cc(ccc1c2ccc(cc2)Cl)C3(CCN(CC3)CCCC(=O)c4ccc(cc4)F)O D226475 c1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O D226500 CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N=C=S D226550 c1cc(c(cc1C(=O)Nc2ccncc2Cl)OCC3CC3)OC(F)F D226600 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(cc3)Cl.Cl D226650 c1ccc(cc1)N2CCN(CC2)CCCn3c(=O)n4ccccc4n3 D226700 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O D226800 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO D226850 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccccc3)([2H])[2H])[2H] D226852 CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC D226880 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSc4nnnn4C)OC)SC2)C(=O)O D226900 CCOC(=O)C(CN(C)C)c1ccc(cc1)O D226950 [2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C(=O)OCC)C([2H])([2H])[2H] D226952 Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC)C D226955 [2H]C([2H])([2H])n1cc(c2c1ccc(c2)NC(=O)OC)Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c4ccccc4C D226957 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)O)OC(F)F D226960 CCCCCCCCCCNCCO D226980 CCCCCCCCCCNCCCCCC[N+](C)(C)C.Br.[Br-] D226990 [2H]C([2H])([2H])[N+](CCCCCCNCCCCCCCCCC)(C([2H])([2H])[2H])C([2H])([2H])[2H].Br.[Br-] D226992 CCCCCCCCCCNCCCCCC[N+](C)(C)C.Cl.[Cl-] D226995 CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] D227000 CCCCCCCCCCN(CCO)C(=O)OCC1c2ccccc2-c3c1cccc3 D228150 CCCCCCCCCCSS(=O)(=O)C D228450 CCCCc1c(c2ccccc2o1)C(=O)c3ccc(c(c3)I)O D228480 CCCC(c1c(c2ccccc2o1)C(=O)c3ccc(cc3)O)OC D228485 CC(c1ccccn1)C2=C(Cc3c2cccc3)C=C D228490 CCN(CC)C(=O)c1cccc(c1)C D228500 [2H]C([2H])([2H])C([2H])([2H])N(C(=O)c1cccc(c1)C)C([2H])([2H])C([2H])([2H])[2H] D228502 C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D228550 c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O D228650 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])n2c(nc(n2)c3ccccc3O)c4ccccc4O)[2H] D228652 [2H]c1c(c(c(c(c1[2H])c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O)[2H])[2H].[2H]c1c(c(c(c(c1[2H])c2nc(nn2c3ccc(cc3)C(=O)O)c4ccccc4O)O)[2H])[2H] D228653 c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccc5O)O D228660 c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)[O-])c4ccccc4[O-])[O-].c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)[O-])c4ccccc4[O-])[O-].[Fe+4] D228670 c1ccc(cc1)COc2cc3c(cc2N4CCNCC4)n(cc(c3=O)C(=O)OCc5ccccc5)C6CC6 D228680 c1cc(ccc1c2ccc(cc2)F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5.Cl D228690 [2H]C1(C[C@H]([C@@H](C(N1)([2H])[2H])COc2ccc3c(c2)OCO3)c4ccc(cc4)c5ccc(cc5)F)[2H].Cl D228692 Cc1ccc(cc1)S(=O)(=O)O.CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)O D228750 c1ccc(c(c1)C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F D228780 [2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccccc3F)O)[2H])[2H])Cl)[2H] D228782 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3 D228800 [2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3 D228802 c1cc(c(cc1n2cncn2)F)C(Cn3cncn3)(Cn4cncn4)O D228850 [2H]C([2H])(C(c1ccc(cc1F)n2cncn2)(C([2H])([2H])n3cncn3)O)n4cncn4 D228852 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C D228975 [2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)COC(=O)C)O D228977 CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O D228980 CCOc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4.Cl D228985 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccccc4 D228990 CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=C=S D228995 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccccc3)c4ccccc4)C(=O)Nc5ccccc5 D229000 CC1COc2c(ccc3c2n1ccc3=O)N4CCN(CC4)C D229005 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccccc2)c3ccccc3)C(=O)Nc4ccccc4.[Na+] D229010 COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)O D229015 C[C@H]1COc2c(ccc3c2n1cc(c3=O)C(=O)O)N4CCN(CC4)C D229020 [2H]C([2H])([2H])N1CCN(CC1)c2ccc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O)C D229022 CCCCc1c(c2ccccc2o1)C(=O)c3ccc(c(c3)I)OCCN(CC)CC D229025 COc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4.Cl D229030 c1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4 D229035 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)N5CCN(CC5)C)C(=O)O D229040 c1ccc2c(c1)CCC(O2)C(CNCC(C3CCc4cc(ccc4O3)F)O)O D229045 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 D229050 c1ccc(cc1)CN2CC[C@H]([C@@H](C2)COc3ccc4c(c3)OCO4)c5ccccc5.Cl D229055 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C D229060 CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC(=O)C)O)O.C(=C/C(=O)O)\C(=O)O D229065 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)N)O)O.C(=C/C(=O)O)\C(=O)O D229070 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCC(c2ccc(c(c2)N)O)O.C(=C/C(=O)O)\C(=O)O D229072 CC(=O)Oc1cc2c(s1)CCN(C2)C(c3ccccc3)C(=O)C4CC4.Cl D229075 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H])[2H].Cl D229077 CCCc1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CN)C D229080 CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CN)C.Cl D229081 [2H]C1(c2cc(ccc2[C@]3(CCC[C@@]([C@@H]3C1([2H])[2H])(C)CN)C)C(C)C)[2H] D229082 CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C D229085 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)OC(=O)C D229090 CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C D229095 CCOC(=O)c1c(nc(c(c1c2ccccc2Cl)C(=O)OC)C)COCCN.C(=O)(C(=O)O)O D229100 C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O D229105 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C D229110 CC(C)NC/C=C/Oc1ccc(cc1)COCCOC(C)C D229115 CN1CCC(=C2c3ccc(cc3C=Cc4c2nccc4)Cl)CC1 D229120 CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C D229125 CN(CCCN1C=Cc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D229135 [2H]C([2H])([2H])N(CCCN1C=Cc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D229137 c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4ccc(=O)[nH]c4c3.Cl D229150 [2H]C1(C(N(C(C(N1CCCCOc2ccc3ccc(=O)[nH]c3c2)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H].Cl D229152 C[Si](C)(C1C[C@@H](C(=C)[C@@H]1CO)n2cnc3c2nc([nH]c3=O)N)O D229180 C[Si](C)(c1ccccc1)[C@H]2C[C@@H](C(=C)[C@@H]2CO)n3cnc4c3nc([nH]c4=O)N D229190 C(C([C@@H]1C(=O)C(=O)C(=O)O1)O)O D229250 [13CH2]([13CH]([13C@@H]1[13C](=O)[13C](=O)[13C](=O)O1)O)O D229252 CC(C)c1c(c(c(n1CC[C@H](C/C=C/C(=O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 D229275 Cc1c(c(c(c(n1)C)C(=O)O[C@H]2CCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC D229290 CCCC1O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C D229300 CCCC1O[C@@H]2CC3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)C=O)C)O)C D229305 [2H]C1(O[C@@H]2CC3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)C=O)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D229307 COc1ccc2cc3c4cc5c(cc4cc[n+]3cc2c1O)OCO5.[Br-] D229315 CC(=C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O D229325 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(=C)C D229327 CCCC1=CC(N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl D229350 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=C[C@@H]2O)OCc5ccccc5 D229400 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D229455 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D229457 CC(C)CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C D229470 [2H]C([2H])([2H])C([2H])(CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H] D229472 [2H]C([2H])([2H])C([2H])(C/C=C/[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H] D229477 c1cc(=O)[nH]c2c1cc(cc2)OCCCCc3nnnn3C4CCCCC4 D229500 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCOc3ccc4c(c3)ccc(=O)[nH]4)([2H])[2H])([2H])[2H])[2H] D229502 C[C@]12CCc3c4ccc(nc4ccc3[C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)O D229510 c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@H]6C=CC5=O)C(=O)OCc7ccccc7 D229520 COc1cc2c(cc1OC)C=C(C2)CC3CCN(CC3)Cc4ccccc4 D229535 C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D229555 [2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D229557 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)C=O)C)O)F)C D229565 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=C[C@@H](C4)O)C D229575 COc1cccc2c1C(=O)c3c(c(c4cc(cc(c4c3O)O)C(=O)CO)O)C2=O D229580 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=Cc4c3ccc(c4)O)C D229625 [2H][C@]1([C@]2(CCC3=C([C@@H]2CC1([2H])[2H])CCc4c3ccc(c4)O)C)O D229632 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCc4c3ccc(c4)O)C D229635 C[C@]12CCC3=C([C@@H]1CCC2=O)CCc4c3ccc(c4)O D229640 C[C@]12CCC3=C([C@@H]1CCC2=O)CCc4c3ccc(c4)OS(=O)(=O)[O-].[Na+] D229645 [2H]c1cc2c(c(c1OS(=O)(=O)[O-])[2H])CCC3=C2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C.[Na+] D229647 CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C D229650 [2H]C([2H])([2H])OC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OCC)C)C D229652 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(C=CC(=O)N4)C D229655 Cc1cc2ccccc2n1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl D229660 [2H]C([2H])([2H])c1cc2ccccc2n1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl D229662 Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc3c2non3)C(=O)OC D229665 Cc1c(c(c2c(n1)COC2=O)c3cccc4c3non4)C(=O)OC(C)C D229670 CCOC(=O)c1c(nc(c(c1c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C D229675 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H](C/C=C/C(=O)[O-])O)C.[Na+] D229680 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C D229685 CCOC(=O)c1c(nc2c(c1c3cccc(c3Cl)Cl)C(=O)OC2)C D229690 CN(C)C(=O)C(CCN1CCC(=CC1)c2ccc(cc2)Cl)(c3ccccc3)c4ccccc4 D229695 CC(=O)N1CCN(C=C1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl D229700 [2H]c1c(c(nc(c1[2H])C([2H])(c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F)O)[2H])[2H] D229712 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O D229722 C[C@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O D229735 C[C@@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O D229740 C[C@H]1C(=O)O[C@@H]2CCn3c2c(cc3)COC(=O)[C@]([C@]1(C)O)(C)O D229750 Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC.Cl D229780 Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2[N+](=O)[O-])C(=O)OC D229800 [2H]C([2H])([2H])OC(=O)c1c(nc(c(c1c2ccccc2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C D229802 Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2N=O)C(=O)OC D229890 Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2[N+](=O)[O-])C(=O)OC D229900 [2H]C([2H])([2H])C([2H])(COC(=O)c1c(nc(c(c1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C)C([2H])([2H])[2H] D229902 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C)C#C D229905 c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)O D229910 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O D229915 CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O D229920 CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CCC3=C1CC[C@]2(C#C)O D229925 CC[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4C3=CCC(=O)C4 D229930 CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O D229935 CC1=CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC D229940 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O D229945 c1ccc(c(c1)C2(CCC=CC2=O)N)Cl D229950 [2H]c1c(c(c(c(c1[2H])C2(CCC=CC2=O)N)Cl)[2H])[2H] D229952 CC1=COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O D229955 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)C(=C)C D229960 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)OCc5c(oc(=O)o5)C)C(=C)C D229965 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCc8c(oc(=O)o8)C)C(=C)C D229970 Cc1c(c(=O)n2cccc(c2n1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F D229975 COc1ccc2cc3c4cc(c(cc4cc[n+]3cc2c1O)OC)OC.[Br-] D229985 c1ccc(cc1)/C(=C/C(=O)O)/N D229995 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O D230000 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)O)C)O D230010 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D230020 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C D230030 CCCNCC(COc1ccccc1C(=O)/C=C/c2ccccc2)O.Cl D230040 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)/C=C/c2ccccc2)O)NCCC.Cl D230042 CC(=CC(CC(=O)O)CN)C D230050 CC(=CC([13CH2][13C](=O)O)[13CH2]N)C D230052 CC(=C)CC(CC(=O)O)CN D230055 CC(=C)C[13CH](CN)[13CH2][13C](=O)O D230057 C[N+]1=C(c2cc(c(cc2CC1)OC)O)Cc3ccc(c(c3)O)OC.[I-] D230065 [2H]C([2H])([2H])[N+]1=C(c2cc(c(cc2CC1)OC)O)Cc3ccc(c(c3)O)OC.[I-] D230067 CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C D230075 CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C D230100 CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C D230110 [2H]C([2H])([2H])C(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C=CCC1(C)C)C D230112 COc1ccc2c(c1)[nH]c3c2CC[N+]4=C3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC D230200 Cc1ccn2c(c1)nc-3c2/C/4=N/C(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](/C=C/O[C@@]5(C(=O)c6c3c(c(c(c6O5)C)O)C4=O)C)OC)C)OC(=O)C)C)O)C)O)C)/C D230300 CN(C)CC1=C(CCCC1)c2cccc(c2)OC D230380 CN(C)CC1CCCC=C1c2cccc(c2)OC D230385 Cc1cc(c(c(c1Cc2[nH]ccn2)C)O)C(C)(C)C.Cl D230450 C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O D230475 CC(=O)OCC(=O)[C@@]12[C@@H](C=C3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C D230510 [2H]C([2H])([2H])C(c1ccc(cc1)C#CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)(C(=O)OC)C([2H])([2H])[2H] D230537 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C D230545 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H](C/C=C/C(=O)[O-])O)C.[Na+] D230550 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CCCC(=O)O)O D230555 c1cc(c(c2c1nsn2)Nc3[nH]ccn3)Cl D230560 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C=CC5=CC(=O)C=C[C@@]53C)F)O D230565 C[C@]12C[C@@H]([C@]3([C@H](C1=C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O D230570 Cc1cc(cc2c1O[C@](C=C2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(=O)C D230575 CN(C)CC(c1ccc(cc1)OC)C2=CCCCC2 D230580 CC(=O)/C=C(\c1ccccc1)/c2c(c3ccccc3oc2=O)O D230585 [2H]c1c(c(c(c(c1[2H])[2H])/C(=C\C(=O)C)/c2c(c3ccccc3oc2=O)O)[2H])[2H] D230587 CCCCC(C)(C/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O D230590 c1ccc(cc1)C2c3cc(ccc3NC(=O)C(=O)N2)Cl D230595 CC(CCc1ccc(cc1)O)NCCc2ccc(cc2)O D230600 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)NCCc2ccc(cc2)O.Cl D230602 CN(C)CC(c1ccc(cc1)O)C2=CCCCC2 D230605 [2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C2=CCCCC2)C([2H])([2H])[2H] D230607 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C=CCCC3=C)C D230610 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C=CCCC3=C)C)(C([2H])([2H])[2H])O D230612 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C/C=C/C(=O)O)O D230615 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C=C/C(CC(=O)O)O D230620 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C D230625 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C.CS(=O)(=O)O D230630 CC(C)(C)C(=C)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)OC D230635 [2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)/C=C/[C@@H]5CC=CC(=O)O5)([2H])[2H])[2H] D230642 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D230645 Cc1cc(ccc1O)C(CNCCCCCCOCCCCc2ccccc2)O D230650 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)O D230655 [2H]C1=C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=C(C1=O)[2H])Cl)CC[C@@]4(C(=O)C([2H])([2H])[2H])O)C)C D230657 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C D230665 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)Cl D230675 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O.[Cl-] D230680 c1ccc(c(c1)C2=[N+](CC(=O)Nc3c2cc(cc3)Cl)[O-])Cl D230685 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O.[Cl-] D230690 CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Br)Br)C D230700 [2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)C(C#N)OC(=O)C3C(C3(C)C)C=C(Br)Br)[2H])[2H] D230702 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O.Cl D230725 [2H]C([2H])([2H])N([C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O)C([2H])([2H])[2H].Cl D230727 CN(C)[C@@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O D230730 CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC D230750 CN(CCc1ccccc1)CCc2ccccc2.Cl D230765 [2H]c1c(c(c(c(c1[2H])[2H])CCN(C)CCc2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[2H])[2H].Cl D230767 CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC D230785 COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O D230815 COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OCc4ccccc4)OC D230820 c1ccc(cc1)C2=[N+](CC(=Nc3c2cc(cc3)Cl)N)[O-] D230825 CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl.Cl D230830 CNCCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl D230835 CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D230846 [2H]C([2H])([2H])NCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D230848 CCSC(C)CC1CC(=C(C(=O)C1)/C(=N/OC/C=C/Cl)/C)O D230850 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl D230860 [2H]C([2H])([2H])C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl D230862 COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)O)O D230865 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O)OC D230880 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O)OC D230882 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O D230885 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O D230887 CNC(CCOc1cccc2c1cccc2)c3ccccc3 D230890 [2H]C([2H])([2H])NC(CCOc1cccc2c1cccc2)c3ccccc3 D230892 CC(CNC)CN1c2ccccc2Sc3c1cc(cc3)C#N.C(=C\C(=O)O)\C(=O)O D230895 CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)O)O)[C@H](C1)O)O D230900 CN[C@@H](CCOc1cccc2c1cccc2)c3ccccc3 D230910 CN[C@@H](CCOc1cccc2c1cccc2)c3ccccc3 D230915 C[C@H](Cc1ccccc1)NCC#C D230920 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C)NCC#C)[2H])[2H] D230922 CC(C)(C)OC(=O)Nc1c(cnc(n1)NC(=O)OC(C)(C)C)Cc2cc(c(c(c2)OC)O)OC D230925 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)O)(C)O D230930 c1cc(ncc1Cl)N2[C@H](c3c(nccn3)C2=O)OC(=O)N4CCNCC4.Cl D230935 C[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 D230940 CC(C(=O)c1ccc2c(c1)OCO2)N.Cl D230945 [2H]C([2H])([2H])C(C(=O)c1ccc2c(c1)OCO2)N.Cl D230947 CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)NC)C)O D230950 [2H]C([2H])([2H])Nc1ccc(cc1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C D230952 Cc1c(ncc(c1OC)C(=O)OC)C D230955 Cc1c([n+](cc(c1OC)C(=O)OC)[O-])C D230960 Cc1cc2c(s1)Nc3ccccc3N=C2N4CCNCC4 D230970 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Nc4c2cc(s4)C)([2H])[2H])[2H] D230972 CC(c1ccccn1)C2=C(Cc3c2cccc3)CCNC D230980 [2H]C([2H])([2H])NCCC1=C(c2ccccc2C1)C(C)c3ccccn3.Br D230982 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC D230985 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D230990 COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H](C5[C@@H]2C(=O)OC5)O)OCO4 D231000 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OS(=O)(=O)O)OC D231010 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OS(=O)(=O)O D231015 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C D231030 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C D231040 COc1ccc(cc1)CCNCC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O D231045 C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC=O D231055 C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)O D231070 C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)O)OC D231075 C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)O)OC)OC D231080 CNC(=O)Nc1ccc(c(c1)Cl)Cl D231120 CNC(=O)N[13c]1[13cH][13cH][13c]([13c]([13cH]1)Cl)Cl D231122 Cn1c(cc(=O)n(c1=O)C)NCCCN2CCN(CC2)c3ccccc3Cl D231125 [2H]C1(CN(CC(N1CCCNc2cc(=O)n(c(=O)n2C)C)([2H])[2H])c3ccccc3Cl)[2H] D231127 Cn1c(cc(=O)n(c1=O)C)NCCCN2CCN(CC2)c3ccc(cc3)OC D231130 [2H]C1(CN(CC(N1CCCNc2cc(=O)n(c(=O)n2C)C)([2H])[2H])c3ccc(cc3)OC)[2H] D231132 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C=O)O)(C)OC)C)C)O)(C)O D231135 Cc1c2c(n(n1)C)NC(=O)C(N=C2c3ccccc3F)O D231140 CC(C)(CCC[C@@](CC(=O)O)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O D231150 [2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)O)O)OCO5 D231152 C[C@]1([C@H]2CC[C@H](C2)C1(C)C)N.Cl D231155 C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)N D231160 COc1cc(cc(c1OC)O)CCN D231165 Cc1nccn1CC2CCc3c(c4ccccc4[nH]3)C2=O D231170 COc1ccc(cc1O)Cc2c3cc(c(cc3ccn2)OC)OC D231190 COc1cc(ccc1O)Cc2c3cc(c(cc3ccn2)OC)OC D231195 COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)O)OC D231200 [2H]C([2H])([2H])Oc1cc2c(ccnc2Cc3ccc(c(c3)OC)OC)cc1O D231202 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc3ccnc(c3cc2OC)Cc4ccc(c(c4)OC)OC)C(=O)OC)OC(=O)C D231205 COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC D231210 [2H]C([2H])([2H])Oc1cc2c(ccnc2Cc3ccc(c(c3)OC)OC)cc1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D231212 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)c4ccc(c(c4)c5[nH]c(=O)c6c(n5)c(nn6C)CCC)OCC)n(n1)C D231215 CC(CN1c2ccccc2Sc3c1cccc3)NC.Cl D231220 [2H]C([2H])([2H])NC(C)CN1c2ccccc2Sc3c1cccc3.Cl D231222 COc1ccc2cc(ccc2c1)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D231225 COc1ccc2cc(ccc2c1)CC(=O)OS(=O)(=O)O D231230 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)O)n(n1)C D231235 C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)O D231240 COc1cc[nH]c(=O)c1C#N D231245 CO[13c]1[13cH][13cH][nH]c(=O)c1C#N D231247 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCNCC5)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O D231250 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O)([2H])[2H])[2H] D231252 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)O)(C)O D231265 c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN D231270 COc1cc(ccc1O)/C=C/C(=O)Nc2ccccc2C(=O)O D231280 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)nn1C D231290 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3O)S(=O)(=O)Cl)n(n1)C D231300 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D231305 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D231307 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)O)OC D231325 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O D231330 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O D231332 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O D231335 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O D231337 CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)NC.Cl D231340 [2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)NC.Cl D231342 CC(CNC)CN1c2ccccc2CCc3c1cccc3 D231350 COc1cc2c(cc1OCC3CCNCC3)ncnc2Nc4ccc(cc4F)Br D231355 [2H]C1(CC(CC(N1)([2H])[2H])COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br)[2H] D231357 CCOP(=O)(OCC)SCCSCC D231360 c1ccc(cc1)C2=[N+](CC(=O)Nc3c2cc(cc3)Cl)[O-] D231395 CCCCn1c2c(c(=O)n(c1=O)CCCC)n(cn2)CC(=O)C D231400 Cc1c2c(n(n1)C)NC(=O)CN=C2c3ccccc3F D231410 C1CCC(CC1)N(C(=O)NCCCl)N=O D231450 [2H]C([2H])(C([2H])([2H])Cl)NC(=O)N(C1CCCCC1)N=O D231452 Cc1ccc(cc1)C(=O)c2ccc(c(c2)O)O D231475 CC[C@@H]1[C@@]([C@@H]([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O D231500 C[C@]12CC[C@@H]3c4ccc(cc4C([C@H]([C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O)OC6CCCCO6 D231530 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)[C@H]([C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)OC6CCCCO6 D231540 CC(C)(C)OC(=O)N1CCC(CC1)CC2=Cc3cc(c(cc3C2)OC)OC D231560 CN1CCC(=C2c3ccccc3C=Cc4c2ccs4)CC1 D231580 C[C@]12CCCC[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)O D231600 C[C@]12CC[C@@H]3c4ccc(cc4C=C([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O D231605 C[C@]12CCC=CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CO D231610 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O D231615 c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)N.O D231620 c1nc(c2c(n1)n(cn2)[13C@H]3[13CH2][13C@H]([13C@H](O3)CO)O)N.O D231622 c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H](O3)CO)O)N D231625 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C4=C(COC4=O)CS3 D288390 CC(C)(C)OC(=O)N1CCC(CC1)CC2Cc3cc(c(cc3C2=O)OC)OC D288395 c1cc(c(cc1N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O D288400 Cc1nn(c(=O)n1c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl)CCC(C)C D288790 c1ccc(cc1)[C@H]2CCC(CC2)C3=C(C(=O)c4c(cccc4)C3=O)O D288795 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)CCl)O D288798 CS(=O)(=O)c1ccc(cc1)[C@@H]([C@H](CF)NC(=O)CCl)O D288799 c1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O D288800 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)O D288805 Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C(C)C D288810 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C)C([2H])([2H])[2H] D288812 [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)O D289602 CCNCCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C D289650 C1C([C@H]([C@H](C(N1)CO)O)O)O.Cl D231750 C1[C@H]([C@@H]([C@H](OC1(C(=O)[O-])O)COP(=O)(O)[O-])O)O.[Na+].[Na+] D232050 C1CSC(SC1)C[C@H]([C@@H]([C@@H](CO)O)O)O D232085 [2H]C([2H])([2H])[C@@H]1[C@@H]([C@H](C(=O)O1)O)O D232092 C[C@H]1C([C@H]([C@@H](O1)O)O)O D232100 CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@](O4)(CC3)C)C)C D232110 C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3C24[C@H]1CCC(O3)(O4)C)C D232150 [2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@](O4)(CC3)C)C D232152 c1ccc(cc1)C/C(=N\O)/c2ccccc2 D232250 c1ccc(cc1)C/C(=[15N]\O)/c2ccccc2 D232252 CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]2C(=O)O)n3cnc4c3ncnc4NCc5ccccc5)C D232300 CC(CC(=O)CNCCCNC(=O)C(C(C(C(O)O)O)O)O)C1CCC2C1([C@H](CC3C2CCC4C3(CC[C@H](C4)O)C)O)C D232500 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CN[C@H](CC(=O)N)C(=O)O)C D232520 Cc1ccc2c(c1)C(=O)C3CCN(C3=N2)c4ccccc4 D232550 CN1CC[C@]23c4c5ccc(c4O[C@H]2CC=C[C@H]3[C@@H]1C5)OC D232560 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C D232580 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])OC(=O)C(C)(C)C)C)C D232582 [2H]C([2H])([2H])C(C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H] D232583 CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C D232585 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C D232590 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C D232592 CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C D232595 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C D232600 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])O)O)C)C D232602 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O D232605 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O D232610 c1cn(c(=O)nc1N)[C@H]2C[C@H]([C@H](O2)CO)O D232615 c1c[15n]([13c](=O)[15n]c1N)[C@H]2C[C@H]([C@H](O2)CO)O D232617 CC([C@]1(CCc2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)C1)O)O D232620 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)CC[C@@](C4)(C(C)O)O)O)C2=O D232622 COc1cc2c(cc1OC)CC(C2)CC3CCN(CC3)Cc4ccccc4.Cl D232625 CCCCC(C)(C/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)OC)O D232630 CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2nc([nH]c3=O)N)OC(=O)C D232635 c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O.[Na+].[Na+] D232640 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C D232645 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)([2H])[2H])O D232647 CN(C)CC(c1ccc(cc1)O)C2CCCCC2 D232650 [2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C2CCCCC2)C([2H])([2H])[2H] D232652 c1ccc(cc1)C(=O)OC[C@@H]2C(C[C@@H](O2)O)OC(=O)c3ccccc3 D232660 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 D232665 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C(C(O2)[15n]3ccc([15n][13c]3=O)N)(F)F)OC(=O)c4ccccc4 D232667 c1cn(c(=O)nc1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O D232675 c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+] D232680 CC1C[C@@H](C([C@H](O1)O)OCc2ccccc2)OCc3ccccc3 D232700 c1ccc(cc1)C(=O)OC[C@H]2OC(=O)[C@@](C2OC(=O)c3ccccc3)(F)F D232775 c1ccc(cc1)C(=O)OC[C@H]2OC(=O)[C@@](C2OC(=O)c3ccccc3)(F)F D232776 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C(C(O2)O)(F)F)OC(=O)c3ccccc3 D232785 CS(=O)(=O)OC1C([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)(F)F D232790 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(CO)O)O)C D232800 CC1(OCC(O1)[C@@H]2[C@H](OC(O2)(C)C)CC3SCCCS3)C D232805 CC1(OCC(O1)[C@@H]2C[C@@H]3[C@H](O2)OC(O3)(C)C)C D232815 CCOC(=O)C([C@H]([C@H]1COC(O1)(C)C)OC(=O)c2ccccc2)(F)F D232820 CC1(OC[C@H](C(O1)[C@H]2[C@H](OC(O2)(C)C)CO)NC(=O)C(=O)N)C D232825 CCOC(=O)C([C@H]([C@H]1COC(O1)(C)C)O)(F)F D232830 Cc1cnc2cc3c(cc2n1)nc(n3C)Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@H]([C@H](O6)CO)O)N D232831 Cc1ccc(cc1C)NC[C@@H]([C@@H]([C@@H](CO)O)O)O D232840 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)Cl)OC(=O)c3ccc(cc3)C D232860 Cc1ccc(cc1)C(=O)OC[C@H]2C(C[C@@H](O2)Cl)OC(=O)c3ccc(cc3)C D232870 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3cnc(nc3=O)N)OC(=O)c4ccc(cc4)C D232880 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3cnc(nc3=O)N)OC(=O)c4ccc(cc4)C D232885 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3cnc(nc3=O)N)OC(=O)c4ccc(cc4)C D232890 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)OC(=O)c4ccc(cc4)C D232897 COc1cccc2c1C(=O)c3c(c(c4c(c3O)CC[C@](C4)(C(CO)O)O)O)C2=O D232898 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)CC[C@@](C4)(C(CO)O)O)O)C2=O D232899 c1ccc(cc1)C(=O)N/N=C/C(=N/NC(=O)c2ccccc2)/C[C@@H]([C@@H](CO)O)O D232900 c1cnc2nc3c(c(=O)n2c1)ncn3[C@H]4C[C@H]([C@H](O4)CO)O D232905 c1nc2c(n1[C@H]3C[C@H]([C@H](O3)CO)O)nc4n[13cH][13cH][13cH]n4c2=O D232907 COc1cccc2c1C(=O)c3c(c(c4c(c3O)CC[C@@](C4)(C(=O)CO)O)O)C2=O D232910 CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3ncnc4NCc5ccccc5)OC(O2)(C)C D232915 CNCCc1ccc(c(c1)O)O.Cl D232920 [2H]C([2H])([2H])NCCc1ccc(c(c1)O)O.Cl D232922 c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c([n@@]4C6C[C@@H]([C@H](O6)CO)O)[nH]c(nc5=O)N D232930 Cc1ccc(c(c1)[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)OC(=O)C(C)C D232940 c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)F D232945 C[C@@H]1[C@@H](C([C@@H](O1)n2cc(c(nc2=O)N)F)O)O D232950 C[C@@H]1[C@@H](C([C@@H](O1)[15n]2cc(c([15n][13c]2=O)N)F)O)O D232952 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)F D232970 C(C1[C@@H]([C@@H](C([C@@H](O1)O)F)O)O)O D233000 C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)F)O)O D233050 C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)F)O D233100 C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O)F D233200 C(C1[C@H]([C@@H](C([C@@H](O1)O)F)O)O)O D234500 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)F)O)O D235000 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)F)O D235100 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)F D235110 CC1(O[C@@H]2[C@@H](O1)O[C@@H](C2O)C(CF)O)C D235130 C(C1[C@H]([C@@H](C([C@@H](O1)O)F)O)O)O D235150 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)F)O)O D235200 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)F)O D235300 CCC(C)COC(=O)Nc1c(cn(c(=O)n1)[C@H]2C([C@H]([C@H](O2)C)O)O)F D235345 C[C@@H]1[C@@H](C([C@@H](O1)n2cc(c(nc2=O)NC(=O)OCCC(C)C)F)O)O D235350 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)F D235430 Cc1cn(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F D235470 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)F D235475 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)F D235477 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])F.[Na+].[Na+] D235480 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])F.[Na+].[Na+] D235482 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@H](O2)OC(=O)c3ccccc3)F)OC(=O)c4ccccc4 D235500 C[C@@H]1[C@@H](C([C@@H](O1)n2cc(c(=O)[nH]c2=O)F)O)O D235725 C[C@@H]1[C@@H](C([C@@H](O1)[15n]2cc(c(=O)[15nH][13c]2=O)F)O)O D235727 c1c(nc(cn1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O D235800 [13cH]1[13c](n[13c]([13cH]n1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O D235802 c1c(ncc(n1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O D235810 [13cH]1[13c](n[13cH][13c](n1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O D235812 CC1[C@H]([C@@H](C(CN1)O)O)O.Cl D236000 CC1C[C@@H](C([C@H](O1)O)O)O D236250 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)CC[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C D236300 C1C([C@H]([C@H](C(N1)CO)O)O)O.Cl D236500 C1C([C@H]([C@H](C([15NH]1)CO)O)O)O.Cl D236502 C1[C@H]([C@H](C(O[C@H]1O)CO)O)O D237000 C1[C@H](C(O[C@H](C1=O)O)CO)O D237100 CC(=O)NC(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)C(C)(C)SN=O D238120 C1[C@H]([C@@H](C(O[C@H]1O)CO)O)O D239000 C1[C@H]([C@@H](C(O[14C@H]1O)CO)O)O D239030 C1[C@@H](C(O[C@H](C1O)O)CO)O D239040 C1[C@@H](C([C@@H](OC1CO)O)O)O D239045 CC(=O)OC[C@@H]1[C@H]([C@@H](CC(O1)OC(=O)C)OC(=O)C)OC(=O)C D239070 C1[C@@H](C(O[C@H](C1=O)O)CO)O D239150 C1[C@@H](C(O[13C@H](C1=O)O)CO)O D239152 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O D239500 c1nc2c(=O)[nH]c(nc2n1[C@H]3C[C@H]([C@H](O3)CO)O)N.O D239550 c1nc2c(=O)[15nH][13c](nc2n1[C@H]3C[C@H]([C@H](O3)CO)O)[15NH2] D239552 [13cH]1[15n][13c]2[13c](=O)[15nH][13c]([15n][13c]2[15n]1[13C@H]3[13CH2][13C@H]([13C@H](O3)[13CH2]O)O)[15NH2] D239553 c1ccc(cc1)c2ccc(cc2)Nc3nc4c(=O)[nH]c(nc4n3[C@H]5CC([C@H](O5)CO)O)N D239600 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)Nc3nc4c(=O)[nH]c(nc4n3[C@H]5CC([C@H](O5)CO)O)N)[2H])[2H] D239602 Cc1cnc2cc3c(cc2n1)nc(n3C)Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@H]([C@H](O6)CO)O)N D239615 [2H]C([2H])([2H])n1c2ccc3c(c2nc1Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@@H]([C@H](O6)CO)O)N)nc(cn3)C D239617 Cn1c2cc(cnc2nc1Nc3nc4c(=O)[nH]c(nc4n3[C@H]5C[C@H]([C@H](O5)CO)O)N)c6ccccc6 D239630 [2H]C([2H])([2H])n1c2cc(cnc2nc1Nc3nc4c(=O)[nH]c(nc4n3[C@H]5C[C@@H]([C@H](O5)CO)O)N)c6ccccc6 D239632 CC(C)(C)c1cc(c(c(c1)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)O)C(C)(C)C D239700 C1C([C@H]([C@@H](C(N1)CO)O)O)O.Cl D239750 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O D239755 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C(C[C@H](O3)CO)O D239760 c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@H](C([C@H](O2)CI)O)O)F D239767 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CI)n3cc(c(nc3=O)N)Cl)C D239780 CC(C)OC(=O)[C@H]1[C@H](CC2CCC1N2C)c3ccc(cc3)I.Cl D239800 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CI)n3cc(c(=O)[nH]c3=O)Cl)C D239825 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CI)n3cc(c(nc3=O)N)F)C D239845 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CI)n3cc(c(=O)[nH]c3=O)F)C D239850 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CI)[15n]3cc(c(=O)[15nH][13c]3=O)F)C D239852 CC1(O[C@@H]([C@H](O1)[C@@H](CO)O)CC2SCCCS2)C D239865 C[C@@H]1C2[C@@H]([C@@H](O1)n3cc(c(nc3=O)N)Cl)OC(O2)(C)C D239870 C[C@@H]1C2[C@@H]([C@@H](O1)n3cc(c(nc3=O)N)F)OC(O2)(C)C D239920 C[C@@H]1C2[C@@H]([C@@H](O1)[15n]3cc(c([15n][13c]3=O)N)F)OC(O2)(C)C D239922 C[C@@H]1C2[C@@H]([C@@H](O1)n3cc(c(=O)[nH]c3=O)F)OC(O2)(C)C D239940 C[C@@H]1C2[C@@H]([C@@H](O1)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(O2)(C)C D239942 C[C@@H]1C2[C@@H]([C@@H](O1)[15n]3cc(c([15n][13c]3=O)S)F)OC(O2)(C)C D239972 CC(c1cccc(c1)Cc2ccccc2)C(=O)O D239990 C1C([C@H]([C@@H](C(N1)CO)O)O)O.Cl D240000 C[C@]1(C[C@H]([C@H]([C@H](O1)C(CO)O)O)O)O D242000 C1CN([C@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O D243250 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[C@@H](C[N@](C2)CCc3c1[nH]c4c3cccc4)CC)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C D243402 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO D243900 C1C([C@H]([C@@H](C(N1)CO)O)O)O D245000 C1C([C@H]([C@@H](C(N1)CO)O)O)O.Cl D245005 CCCCCCCCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O D245500 c1c2c(nc(n1)N)n(cn2)CCC(CO)CO D247650 c1cc(c(c(c1)O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)C(=O)CCc3ccc(cc3)O)O D248000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C D249000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C D249005 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H]3[C@@H](CO[C@@H](O3)c4ccccc4)O[C@@H]2OCc5ccccc5)OCc6ccccc6)N7C(=O)c8ccccc8C7=O)OC(=O)C)OC(=O)C D249800 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C D249850 c1c(c(c(c[n+]1CCCC[C@H](C(=O)[O-])N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N D249900 Cc1c(cnc(c1O)C)CO.Cl D249930 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)c3ccccc3)O[C@H]4[C@@H]([C@@H]([C@H](O4)C)OC(=O)C)OC(=O)C)F D250995 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@H](C([C@H](O2)C)O)O[C@H]3[C@H](C([C@H](O3)C)O)O)F D251000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)C)O)O)F D251002 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@H](C([C@H](O2)C)O[C@H]3[C@H](C([C@H](O3)C)O)O)O)F D251005 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@H](C([C@H](O2)C)O[C@@H]3[C@H](C([C@H](O3)C)O)O)O)F D251010 C1[C@@H](O[C@@H](C1O)CO)O D252000 CC(=O)O[C@H]1C[C@@H](OC[C@H]1OC(=O)C)OC(=O)C D252005 C[C@@H]1C([C@@H]([C@@H](O1)O)O)O D252015 C1[C@H]([C@H](O[C@H]1NC(=O)NC(=N)N)CO)O D253500 c1cc(cnc1)CC(P(=O)(O)O)P(=O)(O)O D253800 C1C([C@H]([C@H](C(C1N)O)O)O)N D263500 C1[C@H]([C@@H](C(C([C@H]1N)O)O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)N D263510 CC1[C@H]([C@@H](C([C@H](O1)O)O)O)O D275000 CC(=O)OC[C@@H]1[C@H](C[C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C D278775 c1nc2c(n1[C@H]3C[C@H]([C@H](O3)CO)O)[nH]c(nc2=S)N D281650 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)O)O)COCc5ccccc5)OC)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 D281810 C[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C D281900 C1CC(C(=O)c2c1nc(s2)N)N D281910 COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F D281920 [2H]c1c(c(c(c(c1n2c(cc(n2)C(F)F)c3ccc(c(c3)F)OC)[2H])[2H])S(=O)(=O)N)[2H] D281922 CC(C)(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CNNC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC D281950 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CNNC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)[2H])[2H] D281952 CC(C)NCC(COc1ccc(cc1C(=O)C)N)O D282000 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)C)N)O)NC(C)C D282002 c1ccc(c(c1)c2ccc(cc2)Cn3c4c(cccc4[nH]c3=O)C(=O)O)c5[nH]nnn5 D282040 CCCN1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)NCC D282080 [2H]C([2H])([2H])C([2H])([2H])NS(=O)(=O)N[C@H]1C[C@@H]2Cc3c(cccc3O)C[C@H]2N(C1)CCC D282082 c1cc(ccc1[C@@H]2CCNC[C@H]2CO)F D282180 C(C1[C@H]([C@@H](C([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O D282500 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4C[C@H]([C@@H](O4)n5ccc(=O)[nH]c5=O)O D287850 c1cn(c(=O)[nH]c1=O)[C@H]2C(C[C@H](O2)CO)O D288000 c1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O D288010 c1c[15n]([13c](=O)[15nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O D288012 c1c[15n]([13c](=O)[15nH]c1=O)[C@@H]2CC([C@@H](O2)CO)O D288017 C[C@@H]1[C@@H](C([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O D288025 CN(C)CC(c1ccc(cc1)OC)C2CCCCC2 D288300 CC[C@@H]1C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC D288330 CC(=O)NC(CCc1ccc(cc1Cl)Sc2cccc(c2)O)(COC(=O)C)COC(=O)C D288350 CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5c3cccc5 D288360 CCC(CC)OC1C=C(C[C@@H]([C@H]1N)NC(=O)C)C(=O)OCC D288370 CCC(CC)OC1C=C(C[C@@H]([C@H]1N)NC(=O)C)C(=O)O D288375 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC5(O4)CCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O D288380 [2H]C1(CC2(CC1([2H])[2H])O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@]5([C@H](C[C@@]4([C@@]3(O2)C(=O)CO)C)O)F)C)[2H] D288382 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288405 COc1c(cc2c(c1OC)-c3ccc(c(=O)cc3[C@H](CC2)NC=O)SC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O D288410 CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1N)N=[N+]=[N-])C(=O)OCC D288415 COc1c(cc2c(c1OC)-c3ccc(c(=O)cc3[C@H](CC2)N)SC)O D288420 C=C(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 D288425 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@H]7C(=O)OC)O)CC)C=O)C(=O)OC)O D288435 CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC)O.COS(=O)(=O)O D288440 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)/C(=C/C)/C)(C4(C)C)O)O)C)O[Si](CC)(CC)CC)C)OC(=O)C D288445 COc1ccc(cc1)[C@H]2[C@H](C(=O)Nc3ccccc3S2)O D288450 [2H]C([2H])([2H])P(=O)(CCCC(=O)OCC)OCC D288457 [2H]C([2H])([2H])P(=O)(CCCC(=O)O)O D288462 COC(=O)[C@H](Cc1c[nH]cn1)Cl D288465 c1cc(c(c(c1)Cl)Cl)c2c(=O)nc([nH]n2)N D288470 Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)Cl)N)C)C#N D288475 C[C@H]1COc2c3n1ccc(=O)c3cc(c2N4CCN(CC4)C)F D288480 CC1=C2[C@@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C D288485 CC1=C2[C@@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccccc5)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D288490 CC(C)[C@@H](C(=O)OCc1ccccc1)NCc2ccc(cc2)c3ccccc3c4[nH]nnn4 D288495 CN1CCC(=C2c3ccc(cc3CCc4c2nccc4)Br)CC1 D288500 c1c(nc(s1)N=C(N)N)CSCCC(=N)NC#N D288505 CC(C)[C@H](C(=O)O)NCc1ccc(cc1)c2ccccc2c3[nH]nnn3 D288510 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C(C(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C D288515 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C)OC(=O)C D288520 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)OC)C)OC(=O)C D288525 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)C5=CC(=O)[C@@H]6C[C@@H]6[C@]35C)C)OC(=O)C D288530 CC(C(=O)c1ccccc1Cl)NC(C)(C)C.Cl D288535 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccccc1Cl.Cl D288537 CCOc1cc(ccc1C(=O)NCC2CNCCO2)N D288540 CC(C(=O)c1ccccc1)NC(C)(C)C.Cl D288545 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccccc1.Cl D288547 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Br)O)C)C)OC(=O)CC D288555 CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OCc5ccccc5)CO D288560 CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccc(cc2)Cl)/c3ccccc3 D288565 CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)N)CO[Si](C)(C)C(C)(C)C D288570 CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OCc5ccccc5)CO[Si](C)(C)C(C)(C)C D288575 CO/N=C(\c1ccccc1Oc2c(c(=O)nc[nH]2)F)/C3=NOCCO3 D288580 [2H]C1(C(ON=C(O1)/C(=N/OC)/c2ccccc2Oc3c(c(=O)nc[nH]3)F)([2H])[2H])[2H] D288582 CN(C)CCc1ccc(cc1)OC D288590 [2H]C([2H])([2H])N(CCc1ccc(cc1)OC)C([2H])([2H])[2H] D288592 C[C@@H](Cc1ccccc1)N(C)CC#C.Cl D288595 [2H]C([2H])([2H])N(CC#C)[C@@H](C)Cc1ccccc1.Cl D288597 CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)O D288600 CCC(=O)OC(C(C)C)OP(=O)(CCCCc1ccccc1)CC(=O)O D288605 c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6([C@H](CC5=O)O)O)C(=O)OCc7ccccc7 D288610 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5([C@H](CC4=O)O)O)C(=O)OC D288615 CCc1ccc(cc1)OCC(CNC(C)C)O.Cl D288620 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CC)O)NC(C)C.Cl D288622 CCCCOCCc1ccc(cc1)OCC(CNC(C)C)O D288625 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)C[C@@H]5O)O)O D288630 c1ccc(cc1)CCC(=O)c2ccccc2OCC(CO)O D288635 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)O D288637 [2H]C([2H])([2H])N(CC#C)C(C)Cc1ccccc1 D288640 C[C@H](Cc1ccccc1)N(C)CC#C.Cl D288641 C[C@H](Cc1ccccc1)[N+](C)(CC#C)[O-] D288645 [2H]C([2H])([2H])[N+](CC#C)([C@H](C)Cc1ccccc1)[O-] D288647 c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D288650 c1ccc(cc1)CCC(=O)c2ccccc2OCC(CCl)O D288655 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Oc1ccccc1C(=O)CCc2ccccc2 D288657 c1ccc(cc1)CCC(=O)c2ccccc2OCC(CN)O.C(=O)(C(=O)O)O D288660 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)N.C(=O)(C(=O)O)O D288662 c1cc(ccc1CC(=O)O)N D288665 [2H]c1c(c(c(c(c1CC(=O)O)[2H])[2H])N)[2H] D288667 c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O D288670 [2H]c1c(c(nc(c1[2H])C([2H])(c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])c3c(c(c(c(c3[2H])[2H])O)[2H])[2H])[2H])[2H] D288672 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)O)O)N)O.Cl D288675 COc1cccc2c1C(=O)c3c(c(c4cc(cc(c4c3O)O)O)O)C2=O D288680 [2H]C([2H])(C([2H])([2H])N(C)C)N1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288682 CN(C)CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288685 [2H]C([2H])([2H])N(C)CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288687 [2H]C([2H])([2H])N(CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC)C([2H])([2H])[2H] D288688 Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)Cl)Br)C)C#N D288690 Cc1cc(cc(c1O[13c]2[13c]([13c](nc(n2)Nc3ccc(cc3)C#N)Cl)Br)C)C#N D288692 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO D288695 [2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)CO)O D288697 CNCCN1c2ccccc2SC(C(C1=O)O)c3ccc(cc3)OC D288698 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34 D288700 [2H]C\1=C2[C@](CC(/C1=N/O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)O)CC)[2H] D288702 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C.[Br-] D288705 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O D288710 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H](C5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)O)C)OC(=O)c7ccccc7)O)O)[2H])[2H] D288712 CC(=O)O[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C.[Br-] D288715 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)/C)C)O)C)O)C)O)C)OC)C)O D288720 CC(=O)OCC(CCn1cnc2c1nc(nc2)N)CO D288725 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCN(CC5)C)\C)C)O)C)O)C)O)C)OC)C)O D288726 [2H]C([2H])([2H])N1CCN(CC1)/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)O)C)OC)C)O D288727 CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC)O D288728 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C=O)C(=O)OC)O.COS(=O)(=O)O D288729 CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCNCC)I.Cl D288731 [2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I)NCC.Cl D288733 CCNCCCC(C)Nc1ccnc2c1ccc(c2)Cl D288735 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NCC D288737 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCNCC4 D288740 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H] D288742 CC[C@@]12C=CCN3[C@@H]1[C@@]4(CC3)c5ccc(cc5N([C@H]4[C@]([C@@H]2O)(C(=O)OC)O)C)OC D288745 CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288750 [2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288752 CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288755 [2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288757 c1ccc2c(c1)[C@@H](C[C@H](C2=O)O)c3ccc(c(c3)Cl)Cl D288760 c1cc(c(cc1C(F)(F)F)O)C(=O)O D288765 [13cH]1[13cH][13c]([13c]([13cH][13c]1C(F)(F)F)O)C(=O)O D288767 c1ccc(cc1)C(c2ccccc2)OC3CCNCC3 D288770 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCNCC3)[2H])[2H] D288772 COc1cc2c(cc1OC)C(=O)C(C2)CC3CCNCC3.Cl D288775 c1ccc(cc1)Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)N D288780 [2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)N)[2H])[2H] D288782 Cc1cccc(c1NC(=O)C2CCCCN2)C D288785 CC(C)c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)CO D288815 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)CO)C([2H])([2H])[2H] D288817 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCNCC4)n(n1)C D288820 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D288822 CCNCc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl.Cl D288826 [2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl D288827 CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288830 [2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288832 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)O)\C)C)O)OC D288835 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)[15NH2])/C)OC)O)\C)C)O)OC D288837 CCN(CC)CC#CCOC(=O)C(c1ccccc1)(c2ccccc2)O D288840 Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)O D288845 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2C(C(CC(O2)C)N(C)C)O)(C)O)C)C)C)O)(C)O D288850 [2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C D288852 CC(OC(=O)c1cccc2c1n(c(=O)[nH]2)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)OC(=O)OC6CCCCC6 D288855 CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C D288860 [2H]C(=C([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)NCCCN(C)C)[2H] D288862 c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)N D288865 c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)C(=O)O D288870 CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCCNCCCC.Cl D288875 [2H]C([2H])(C([2H])([2H])NCCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3cc(ccc3oc2CCCC)NS(=O)(=O)C.Cl D288877 c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)NCc3ccco3 D288880 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCC(=O)O D288885 COc1ccccc1OCC(CO)OC(=O)N D288890 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1OC)OC(=O)N)O D288892 CCCCNCC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O D288895 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NCC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O D288897 COCCCN1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D288900 [2H][13C]([2H])([2H])OCCCN1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D288902 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@H](C(=C(C4=O)C(=O)N)O)N)O)O)O)O D288905 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H](C(=O)C[C@H](O3)C)O)(C)O)C)C)C)O)(C)O D288910 CC(C)(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O)NC(=O)[C@H](C3CCCCC3)NC(=O)c4cnccn4 D288915 CCNCC(=O)Nc1c(ccc(c1C)Br)C D288920 CCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O D288925 [2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)NCCC)[2H])[2H] D288927 c1c2c(nc(n1)N)n(c(=O)[nH]2)CCC(CO)CO D288930 [2H]C([2H])(C(CO)CO)C([2H])([2H])n1c2c(cnc(n2)N)[nH]c1=O D288932 C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)Cl D288935 CCC(C(=O)O)N(CC)C(=O)/C=C/C D288940 CCC(C(=O)OCC)N(CC)C(=O)/C=C/C D288945 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2NC1=O)c3ccc(cc3)OC D288950 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCCl)Oc2ccc(cc2)C(F)(F)F)[2H])[2H] D288957 c1ccc(cc1)[C@H](CCCl)Oc2ccc(cc2)C(F)(F)F D288960 c1cc2c(cc1C[C@H]3COC(=O)N3)c(c[nH]2)CC(=O)O D288965 c1cnccc1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)[O-].[Na+] D288970 [2H]c1c(nc(c(c1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)[O-])[2H])[2H])[2H].[Na+] D288972 CN(C)C(=O)Oc1cc(cc(c1)OC(=O)N(C)C)C(CO)O D288975 CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccccc2)/c3ccccc3 D288980 [2H]c1c(c(c(c(c1[2H])[2H])/C=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)[2H])[2H] D288982 CCSC(C)CC1CC(=C(C(=O)C1)C(=N)C=C)O D288985 CC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O D288990 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)C D288995 C1CCN(CC1)c2c3c(c(nc(n3)NCCO)N4CCCCC4)nc(n2)N(CCO)CCO D289000 CC(=O)N(CC(CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)N)I D289005 CC(=O)c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C D289010 COc1cc(c(cc1C(=O)NCC(=O)O)Cl)N D289015 CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccc(cc2)Cl)/c3ccc(cc3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D289020 CCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C D289025 CC(C)(c1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)NC D289030 CCCCN(CCCC)CC(c1cc(cc2c1-c3ccc(cc3C2=O)Cl)Cl)O D289035 CCN(CC)CCOc1ccc(cc1)C(c2ccccc2)C(=O)c3ccccc3.Cl D289040 c1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3[C@@H]2O)/C(=N/N)/C(=C(C4=O)C(=O)N)O)O)O)Cl D289045 CCN(Cc1ccccc1)C(=O)[C@@]2(C[C@@H]2C[NH3+])c3ccccc3.[Cl-] D289050 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)O D289055 CCCCC(CC)CNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O D289060 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O D289065 CCCCCCOC(=O)NC(=N)c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4 D289070 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C#N)c5nc6ccccc6n5C)C D289075 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C#N)C D289077 COC(=O)Cc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3 D289080 c1cc2c(cc1C[C@H]3COC(=O)N3)c(c[nH]2)CC#N D289085 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)/C(=N/O)/C(=C(C4=O)C(=O)N)O)O)O)O)O.Cl D289095 c1(nc(nc(n1)Cl)N)N D289100 [13c]1(n[13c](n[13c](n1)Cl)N)N D289102 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C(=O)C(Br)Br D289110 c1cc(c(c(c1)Cl)Cl)NCCNCCCCOc2ccc3c(c2)NC(=O)CC3 D289125 c1c2c(cc(c1F)NCCN)n(cc(c2=O)C(=O)O)C3CC3.Cl D289150 [2H]C([2H])(C([2H])([2H])Nc1cc2c(cc1F)c(=O)c(cn2C3CC3)C(=O)O)N.Cl D289152 CCCC(c1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I)OC D289200 c1cc(ccc1CC2C(=O)NC(=O)S2)Oc3ccc(cc3)CC4C(=O)NC(=O)S4 D289250 CC(CNc1c(cc2c(c1OC)n(cc(c2=O)C(=O)O)C3CC3)F)N D289300 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N(CCN(C)C=O)C=O)F)C(=O)O D289330 [2H]C([2H])([2H])N(CCN(C=O)c1c(cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C)F)C=O D289332 C[C@H]1COc2c(c(cc3c2n1cc(c3=O)C(=O)O)F)NCCNC.Cl D289350 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)NCCO D289360 CC1(c2cc(ccc2N=C(O1)N)Cl)c3ccccc3 D289370 [2H]c1c(c(c(c(c1[2H])[2H])C2(c3cc(ccc3N=C(O2)N)Cl)C)[2H])[2H] D289372 C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)OC(C)C D289375 CCNCCNC(=O)c1cc(c(cc1OC)N)Cl D289385 CCNC(=O)C1(C[C@@H]1CN)c2ccccc2 D289400 [2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@]1(C[C@@H]1CN)c2ccccc2 D289402 CCNC(=O)[C@]1(C[C@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4 D289410 CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289465 CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289470 CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289475 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(c2ccccc2)(C(=O)OCC#CCNCC)O)([2H])[2H])([2H])[2H])[2H].Cl D289477 [2H]C([2H])([2H])C([2H])([2H])NCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289478 CCC(C)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC D289490 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCCC)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)n(n1)C D289495 [2H]C1([C@H](N[C@H](C(N1S(=O)(=O)c2ccc(c(c2)c3[nH]c4c(nn(c4c(=O)n3)C)CCC)OCCC)([2H])[2H])C)C)[2H] D289497 CCCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O D289500 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3O)S(=O)(=O)N4CCN(CC4)C)n(n1)C D289600 [2H]C([2H])([2H])C([2H])([2H])NCCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C D289652 Cc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC(C)OC(=O)OC9CCCCC9 D289745 CC(OC(=O)c1cccc2c1n(c(=O)[nH]2)Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)OC(=O)OC9CCCCC9 D289750 CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C D289765 CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)/C=C/C)O D289780 CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC=C)O D289785 CC/C(=N\OC/C=C\Cl)/C1=C(CC(CC1=O)CC=C)O D289790 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C=C D289830 CC(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O D289850 C[C@@H](c1ccncn1)[C@](Cn2cncn2)(c3ccc(cc3F)F)O D289870 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSCC(=O)N)C(=O)O D289900 c1cc2c(nc1)C3(c4ccc(cc4CC2)Cl)C5(O3)CCNCC5 D290275 CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O D290290 COc1cc(cc(c1OC)Br)Cc2cnc(nc2N)N D290310 [2H]C([2H])([2H])Oc1c(cc(cc1Br)Cc2cnc(nc2N)N)OC D290312 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H] D291657 CCC(CO)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O D291660 c1ccc(cc1)S(=O)(=O)CCc2ccc3c(c2)c(c[nH]3)C[C@H]4CCCN4.Cl D291665 CN(CC/C=C/1\c2ccccc2COc3c1cccc3)C=O D291670 c1cc(c(cc1Nc2c3cc(c(cc3ncn2)O)OCCCN4CCOCC4)Cl)F D291680 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)S(=O)(=O)c4ccc(cc4)C)O)(C)O)C)C)C)O)(C)O D291700 C[C@H](CO)c1cc(c(c(c1CO)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C.[Na+] D291725 [2H]C([2H])([2H])C(c1c(c(c(c(n1)[C@H](C)CO)CO)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C([2H])([2H])[2H].[Na+] D291727 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)CC(C)(C)O)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O D291735 CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)O.Cl D291745 CCCCCNCCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+] D291755 CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c3ccc(cc3)O)O)O)C D291760 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSSC[C@@H](C(=O)O)N)C(=O)O D289905 [2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSSC[C@@H](C(=O)O)N)C(=O)O D289907 CCCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)C D289915 COCCCCC(=O)c1ccc(cc1)C(F)F D289925 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C(=O)OC)O D289930 c1ccc(cc1)N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O D289945 CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)C D289950 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC)([2H])[2H])[2H] D289952 CC(CS(=O)(=O)c1ccccc1)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O D289955 CCOc1cc(c(cc1C(=O)NCC2CNCCO2)Cl)N D289960 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)NCC2CNCCO2)Cl)N D289962 CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccccc3.C(=O)(C(=O)O)O D289965 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)O D289970 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)F D289975 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CS)C(=O)O D289980 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CS)C(=O)O D289982 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)OC D289985 CC(CS(=O)(=O)c1ccc(cc1)F)C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N D289990 Cc1cc([nH]c(=O)c1)C2CCCCC2 D289995 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)[nH]2)C)([2H])[2H])([2H])[2H])[2H] D289997 Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCNCC4)Cl D290000 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])[2H] D290002 c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO D290005 CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccccc3.C(=O)(C(=O)O)O D290010 [2H]C([2H])([2H])N(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccccc3)C([2H])([2H])[2H].C(=O)(C(=O)O)O D290012 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)Cl)Cl D290015 CCCCc1nc(cn1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)Cl.C(=O)(C(F)(F)F)O D290020 CC(=O)O[C@@H]1C=C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C D290025 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(C(CCC)c8nc(c(n8Cc9ccc(cc9)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C=O)Cl)O)Cl D290030 COC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O D290040 CNCCCN1c2ccccc2CCc3c1cccc3.Cl D290050 [2H]c1cc(c2c(c1)CCc3cc(cc(c3N2CCCNC)[2H])[2H])[2H].Cl D290052 [2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1cccc3 D290053 c1ccc2c(c1)[nH]c(=O)n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)N5CCC(=CC5)n6c7ccccc7[nH]c6=O D290060 [2H]c1c(c(c2c(c1[2H])[nH]c(=O)n2C3=CCN(CC3)c4ccc(cc4)C(=O)CCCN5CCC(=CC5)n6c7ccccc7[nH]c6=O)[2H])[2H] D290062 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccccc5on4 D290065 CCCN1CCC2(CC1)NC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N4)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C3=N2 D290080 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O D290100 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@H]5[C@H](C[C@@]4([C@@]3(O2)C(=O)CO)C)O)C)([2H])[2H])([2H])[2H])[2H] D290102 CC(C)NCC(COc1ccc(cc1)CO)O D290125 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CO)O)NC(C)C D290127 CC(C)NCC(COc1ccc(cc1)COCOCCOC(C)C)O D290130 CC(C)OCCOCc1ccc(cc1)OCC(CNC=O)O D290135 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CO)O D290140 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)C)NC(=O)CCC)O)O D290142 c1cc(ccc1CC(=O)N)OCC(CO)O D290145 CCNc1nc(nc(n1)Cl)N D290150 [2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)N D290152 CC(C)NCCC(c1ccccc1)(c2ccccn2)C(=O)N.C(=O)(C(=O)O)O D290160 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)(c2ccccn2)C(=O)N.C(=O)(C(=O)O)O D290162 CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(COS(=O)(=O)N)O)C D290170 CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)N)O)O)C D290175 CCOCCOCc1ccc(cc1)OCC(CNC(C)C)O D290180 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)COCCOCC)O D290182 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNCC)O D290185 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)C)NC(=O)CCC)O)NCC D290187 CC(C)NCC(COc1ccc(cc1)COCCOC)O D290190 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)COCCOC)O D290192 CCOc1cc(ccc1C(=O)O)CC(=O)NC(Cc2ccccc2)c3ccccc3N4CCCCC4 D290195 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)O)CC(=O)NC(Cc2ccccc2)c3ccccc3N4CCCCC4 D290197 CC(C)CC(CCNC(C)C)(c1ccccn1)C(=O)N D290200 CC(C)[C@@H]1C(=O)N(C(=O)N1)[C@@H](Cc2ccccc2)C[C@H]3[C@@H](N(C(=O)O3)C(=O)OCc4cncs4)Cc5ccccc5 D290205 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)NC D290210 CC(C)[C@@H]1C(=O)N(C(=O)N1)[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D290215 c1cc2c3c(c1)[nH]c(=O)n3CC[C@H]([C@@H]2O)N.Cl D290220 Cc1ccc(c(c1)C(CCNC(C)C)c2ccccc2)O D290225 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C D290227 Cc1ccc(c(c1)C(CCNC(C)C)c2ccccc2)OC D290230 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2OC)C D290232 CC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)Cc2ccccc2 D290235 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)CC)C(=O)O)[2H])[2H] D290237 COCCc1ccc(cc1)OCC(CN)O D290240 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCOC)O)N D290242 CCc1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D290245 c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290250 [2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1)([2H])[2H])[2H] D290252 [2H]c1ccc2c(n1)C(=C3C(C(NC(C3[2H])([2H])[2H])([2H])[2H])[2H])c4ccc(cc4C(C2[2H])[2H])Cl D290253 c1cc2c([n+](c1)[O-])C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290260 [2H]c1ccc2c([n+]1[O-])C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290262 c1cc2c(nc1)C(=C3CCN(CC3)O)c4ccc(cc4CC2)Cl D290265 c1cc2c(nc1)C(=C3CCN(CC3)Cc4cc(cnc4)CN5CCC(=C6c7ccc(cc7CCc8c6nccc8)Cl)CC5)c9ccc(cc9CC2)Cl D290270 [2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1Cc5cc(cnc5)CN6C(CC(=C7c8ccc(cc8CCc9c7nccc9)Cl)CC6([2H])[2H])([2H])[2H])([2H])[2H])[2H] D290272 C.c1ccc(cc1)C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)N)O)N D290320 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)N)O)N)[2H])[2H] D290322 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)OC(C)(C)C)O D290330 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)OC(C)(C)C)O)NC(=O)OC(C)(C)C)[2H])[2H] D290332 COCC(=O)Nc1cc(ccc1NC(=N)NC(=O)OC)Sc2ccccc2 D290350 Cc1cnc(c(c1Cl)C)CS(=O)c2[nH]c3ccc(cc3n2)OC D290390 Cc1cnc(c(c1Cl)C)CSc2[nH]c3ccc(cc3n2)OC D290400 CC(C)[C@@H](CO)n1cc(c(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)F)C(=O)O D290410 CCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F D290425 CC1CN(CCN1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O.C(=O)(C(F)(F)F)O D290450 CC(=O)Nc1c(c(c(c(c1I)C(=O)N(C)CC(CO)O)I)C(=O)NCC(CO)O)I D290475 Cc1cnc(c(c1[N+](=O)[O-])C)CS(=O)c2[nH]c3ccc(cc3n2)OC D290500 Cc1cnc(c(c1[N+](=O)[O-])C)CSc2[nH]c3ccc(cc3n2)OC D290510 Cc1cnc(c(c1[N+](=O)[O-])C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC D290515 Cc1cc(c(nc1)CS(=O)c2[nH]c3ccc(cc3n2)OC)C D290560 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)S(=O)Cc3c(cc(cn3)C)C D290562 Cc1cc(c(nc1)CSc2[nH]c3ccc(cc3n2)OC)C D290565 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)SCc3c(cc(cn3)C)C D290567 Cc1c(ccnc1CS(=O)(=O)c2[nH]c3ccccc3n2)Cl D290595 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)Cl D290600 Cc1c(ccnc1CSc2[nH]c3ccccc3n2)Cl D290605 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OC D290610 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)SC D290620 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3)O)C D290640 [2H]c1c(c(c(c(c1[2H])[2H])OCC(CN2CCN(CC2)CC(=O)Nc3c(cccc3C)C)O)[2H])[2H] D290642 COc1cc(oc(=O)c1)/C=C/c2ccccc2 D290670 c1c2c(cc(c1)c3cc(c(cc3)O)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc(c2)C(=O)O D290680 CC(C)[C@@H](Cc1ccc(c(c1)OCCC(=O)O)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N D290685 CC(C)[C@@H](Cc1ccc(c(c1)OCCCO)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl D290690 c1ccc2c(c1)c(c3ccccc3n2)C(=O)Oc4ccc(cc4)CCC(=O)ON5C(=O)CCC5=O D290700 CC(=O)Oc1ccc(cc1)[C@H]2[C@H](C(=O)N(c3ccccc3S2)CCN(C)C)OC(=O)C D290705 CS(=O)(=O)OCC/C=C\1/c2ccccc2CC(c3c1cccc3)OS(=O)(=O)C D290710 CS(=O)(=O)OCC/C=C\1/c2ccccc2CC(c3c1cccc3)O D290715 CNCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3 D290720 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3 D290722 CNCCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O D290725 [2H]C([2H])([2H])NC([2H])([2H])CN1C(=O)c2cccc3c2c(cc(c3)N)C1=O D290727 CC(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 D290730 [2H]C([2H])([2H])C(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 D290732 c1ccc2c(c1)[C@@H]3CNC[C@H]3c4cc(ccc4O2)Cl.Cl D290740 [2H]C1([C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C(N1)([2H])[2H])Cl)[2H].Cl D290742 c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)NC4CCN(CC4)CCc5ccc(cc5)O D290750 Cc1ccccc1OC(CCN)c2ccccc2.Cl D290825 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])OC(CCN)c2ccccc2)[2H])[2H].Cl D290827 c1ccc2c(c1)c(nn(c2=O)C3CCCNCC3)Cc4ccc(cc4)Cl D290950 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)C)O)(C)O D291000 c1cc(ccc1c2nc3cc(ccc3o2)CC(=O)O)Cl D291010 COC(=O)Cc1ccc2c(c1)nc(o2)c3ccc(cc3)Cl D291015 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)C(=O)O)C D291020 CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OCc2ccccc2)(C#N)c3ccc(c(c3)OC)OC D291050 CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4.Cl D291080 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC D291120 Cc1cc2c(cc1C(=O)c3ccc(cc3)C(=O)OC)C(CCC2(C)C)(C)C D291135 Cc1cc2c(cc1C(=O)c3ccc(cc3)C(=O)OC)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3] D291137 c1cc(cc(c1)O)[C@@]2(CCCC[C@H]2CN)O D291150 c1cc(cc(c1)O)[C@]2(CCCC[C@@H]2CN)O D291155 C1COc2c1c(c3c(c2Br)CCO3)CCN.Cl D291170 [2H]C([2H])(c1c2c(c(c3c1OCC3)Br)OCC2)C([2H])([2H])N.Cl D291172 c1c(cc(c(c1C(F)(F)F)Nc2c(cc(cc2Br)Br)Br)[N+](=O)[O-])[N+](=O)[O-] D291200 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4O D291275 CC(C)(C)C(C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)O)O D291290 CC(C)(C#C/C=C/CNCc1cccc2c1cccc2)C(=O)O D291405 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C(=O)O)[2H])[2H] D291407 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C(=O)OC)[2H])[2H] D291412 c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4O)O D291475 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c3ccccc3[nH]2)O)NCCOc4ccccc4O D291477 c1ccc2c(c1)c3c([nH]2)cccc3OC[C@@H](CNCCOc4ccccc4O)O D291480 c1ccc2c(c1)c3c([nH]2)cccc3OC[C@H](CNCCOc4ccccc4O)O D291485 CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D291500 [2H]C([2H])(C)N1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D291502 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D291520 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)CO.[Na+] D291530 c1ccc(cc1)N2c3cc(ccc3NC(=O)CC2=O)Cl D291540 [2H]c1c(c(c(c(c1[2H])[2H])N2c3cc(ccc3NC(=O)CC2=O)Cl)[2H])[2H] D291542 CNCCC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O D291550 CC(C)(C)OC(=O)N(C)CCC=C1c2ccccc2C=Cc3c1cccc3 D291555 CNCCC=C1c2ccccc2C=Cc3c1cccc3.Cl D291560 CNCCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D291565 CNCCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D291571 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O D291575 CNCCCN1c2ccccc2CCc3c1cc(cc3)Cl.Cl D291580 [2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1cc(cc3)Cl.Cl D291582 c1c2c(cc(c1F)N3C[C@@H]4C[C@H]3CN4)n(cc(c2=O)C(=O)O)C5CC5 D291585 c1cc2c(cc1O)C34CCCCC3C(C2)NCC4.Br D291590 [2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3)[2H])O)[2H] D291592 c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)Cl D291595 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)Cl)[2H])[2H] D291597 c1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C45CCCCC4C(C2)NCC5 D291600 [2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3)[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H] D291602 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)O.Cl D291605 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCNC)c3ccc(cc3)OC.Cl D291610 [2H]C([2H])([2H])NCCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC.Cl D291612 [2H]C([2H])(C([2H])([2H])N1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)NC.Cl D291613 CCOC(=O)N1CCC23CCCCC2C1Cc4c3cc(cc4)O D291615 Cc1c(c2cc(ccc2[nH]1)O)CC(=O)O D291620 c1cc2c(c(c1)F)c(c(c(=O)[nH]2)c3[nH]c4cc(ccc4n3)N5CCNCC5)N D291625 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N)([2H])[2H])[2H] D291627 c1cc(ccc1/C(=N/OCCN)/CCCCO)C(F)(F)F D291630 c1cc(ccc1/C(=N/OCCN)/CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(F)(F)F D291633 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C=O)O)(C)O)C)C)C)O)(C)O D291635 c1cc(ccc1c2ccc(=N)n(n2)CCCC(=O)O)O D291640 c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc(c(c3)O)O)F.Cl D291645 CC1CN(CCN1)c2c(cc3c(c2O)n(cc(c3=O)C(=O)O)C4CC4)F D291650 COc1c2c(cc(c1N3CCNCC3)F)c(=O)c(cn2C4CC4)C(=O)O D291655 CC(=CCc1c(cc(c2c1oc(c(c2=O)OCOC)c3ccc(cc3)OCOC)O)OCOC)C D291770 CNCCOC(c1ccccc1)c2ccccc2.Cl D291780 [2H]C([2H])([2H])NCCOC(c1ccccc1)c2ccccc2.Cl D291782 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)O)CC(=O)O D291800 [2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)O)CC(=O)O)C)[2H])[2H])Cl)[2H] D291802 CC(C)c1[nH]c(cn1)[N+](=O)[O-] D291820 c1ccc(cc1)C(=O)c2cccc(c2)CC(=O)O D291830 CC(=O)N[C@@H](CO)C(=O)NCc1ccccc1 D291835 c1ccc2c(c1)[C@@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292101 [2H][C@]1(CC([C@](c2c1cccc2)([2H])N)([2H])[2H])c3ccc(c(c3)Cl)Cl.CCCNC1CCc2c(sc(n2)CC3c4c(nc(s4)N)CCC3NCCC)C1.Cl D292103 c1ccc2c(c1)[C@@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292105 c1ccc2c(c1)[C@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292106 c1ccc2c(c1)[C@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292110 c1ccc2c(c1)[C@@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292115 Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)O D292120 [2H]C([2H])([2H])Oc1c(cnc(c1C)CS(=O)c2[nH]c3ccc(cc3n2)O)C D292122 C[C@H](c1ccc2cc(ccc2c1)O)C(=O)O D292124 C[C@@H](c1ccc2cc(ccc2c1)O)C(=O)O D292125 [2H]C([2H])([2H])C(c1ccc2cc(ccc2c1)O)C(=O)O D292127 c1ccc2c(c1)C(=O)Nc3cccnc3N2C(=O)CN4CCNCC4 D292130 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC(=O)N2c3ccccc3C(=O)Nc4c2nccc4)([2H])[2H])[2H] D292132 Cc1cnc(c(c1OC)C)CSc2[nH]c3ccc(cc3n2)O D292135 [2H]C([2H])([2H])Oc1c(cnc(c1C)CSc2[nH]c3ccc(cc3n2)O)C D292137 C=C[C@H]1CN2CCC1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)O)O D292140 C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)O)O D292145 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3O)O)C D292150 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1O)O)N2CCN(CC2)CC(=O)Nc3c(cccc3C)C D292152 CNC(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4 D291840 [2H]C([2H])([2H])NC(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4 D291842 Cc1ccc(c(c1NC(=O)C2CCCCN2)C)O D291845 COC(=O)Cc1cccc(c1)C(=O)c2ccccc2 D291850 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D291865 [2H]C([2H])([2H])NCCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccccc3 D291867 CCN(CCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C)Cc2ccc(cc2)O D291880 CCN(CCCC(=O)O)C(C)Cc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O D291885 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)Cc6ccc(cc6)C(=O)Nc7ccc(c(c7)Nc8nccc(n8)c9cccnc9)C D291890 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)C5C=CC4=O)C(=O)OC D291900 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4O)C(=O)OC D291910 COc1cc(cc(c1OC)OC)CC2=NCCc3c2cc(c(c3)OC)OC D291920 Cc1c(con1)C(=O)Nc2ccc(cc2)C(F)(F)F D291935 Cc1[nH]c(c(c(=O)n1)NC2=NCCN2)Cl D291940 CNCc1nc(cs1)CSCCN/C(=C/[N+](=O)[O-])/NC D291945 CCCC(C(=O)c1ccccc1)N2CCCC2.Cl D291955 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2ccccc2)([2H])[2H])([2H])[2H])[2H] D291957 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3c4cc5c(cc4[C@H]([C@@H]6C3COC6=O)c7cc(c(c(c7)OC)O)O)OCO5)O)O D291970 CO[C@@H]1CN(CC[C@H]1NC(=O)c2cc(c(cc2O)N)Cl)CCCOc3ccc(cc3)F D291985 CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc(c(c5)O)O D291990 c1ccc2c(c1)C(=Nc3cc(ccc3N2)Cl)N4CCNCC4 D292000 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Nc4c2cccc4)Cl)([2H])[2H])[2H] D292002 CN(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)OC D292005 [2H]C([2H])([2H])N([C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)OC)C([2H])([2H])[2H] D292007 COc1cc2c(cc1O)CC(C2=O)CC3CCN(CC3)Cc4ccccc4 D292010 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)CC3Cc4cc(c(cc4C3=O)OC)O)[2H])[2H] D292012 COc1cc2c(cc1O)C(=O)C(C2)CC3CCN(CC3)Cc4ccccc4 D292015 [2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)CC3Cc4cc(c(cc4C3=O)O)OC)[2H])[2H] D292017 COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)C(C2)CC4CCN(CC4)Cc5ccccc5 D292018 CC(=O)OCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C D292020 CC/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O)/c3ccccc3 D292025 [2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O)/c3ccccc3 D292027 CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4O)C1)O D292030 CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C1)O D292033 COc1ccc2c3c1O[C@@H]4[C@@]3(CCNC2)C=C[C@@H](C4)O D292035 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCNC2)C=C[C@@H](C4)O D292037 CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4[nH]n3 D292038 Cn1c2ccccc2c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4 D292040 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D292041 CC/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D292042 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 D292043 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 D292044 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5 D292045 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C)([2H])[2H])[2H] D292047 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCNCC4)F)C(=O)O.Cl D292050 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H].Cl D292052 CCN(CCCC(=O)O)C(C)Cc1ccc(cc1)O D292055 [2H]C([2H])([2H])C([2H])([2H])N(CCCC(=O)O)C(C)Cc1ccc(cc1)O D292057 CCC1(C(=O)NC(=O)N1)c2ccccc2 D292060 [2H]c1c(c(c(c(c1[2H])[2H])C2(C(=O)NC(=O)N2)CC)[2H])[2H] D292062 CC[C@]1(C(=O)NC(=O)N1)c2ccccc2 D292065 CCNCC(COc1ccc(cc1)CCOC)O D292068 CC[C@@]1(C(=O)NC(=O)N1)c2ccccc2 D292070 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCO)O)NC(C)C D292072 CC(C)NCC(COc1ccc(cc1)CCO)O D292073 c1ccc2c(c1)Cc3cccnc3N4C2CNCC4.Cl D292074 Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O)C(=O)OC2 D292076 [2H]C1(C(N2c3c(cccn3)Cc4ccccc4C2CN1)([2H])[2H])[2H].Cl D292077 Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)O)O)C(=O)OC2 D292078 Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)OC)O)C(=O)OC2 D292080 [2H]C([2H])([2H])OC(=O)CC/C(=C/Cc1c(c(c2c(c1O)C(=O)OC2)C)O)/C D292082 Cn1c(c2ccccc2n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C D292085 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cc(cc4)Cl)([2H])[2H])[2H] D292087 c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CCNCC4 D292088 CC(C)c1c(c(nc(n1)[N-]S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.O.[Na+].[Na+] D292090 [2H]C([2H])([2H])C(c1c(c(nc(n1)[N-]S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C([2H])([2H])[2H].[Na+].[Na+] D292092 CCN(CC)CCNC(=O)c1cc(c(cc1O)N)Cl.Cl D292095 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c4c2OCC(n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H].Cl D292097 CC1COc2c3n1cc(c(=O)c3cc(c2N4CCNCC4)F)C(=O)O.Cl D292098 c1ccc2c(c1)[C@@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292100 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)O)C D292155 CNCc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/NC D292160 c1ccnc(c1)NCCOc2ccc(cc2)CC3C(=O)NC(=O)S3 D292165 [2H]c1c(c(c(c(c1CC2C(=O)NC(=O)S2)[2H])[2H])OCCNc3ccccn3)[2H] D292167 CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)NC.Cl D292170 [2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)NC)([2H])[2H])[2H].Cl D292172 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c5c3nc6n5cccc6)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O D292175 [2H]c1c(c(n2c3c(c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc3c5O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)nc2c1[2H])[2H])[2H] D292177 c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCNCC4 D292180 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cccc4)([2H])[2H])[2H] D292182 c1ccc2c(c1)C(=C(NS2(=O)=O)C(=O)Nc3ccccn3)O D292185 CNCC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O D292190 CN(C)CCN(Cc1ccc(cc1)O)c2ccccn2 D292195 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)n(n1)C D292200 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D292202 CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/C3C[C@H](CC(=O)O3)O D292210 [2H]C([2H])([2H])C(c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C([2H])([2H])[2H] D292212 CC(/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3)O D292240 CC/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D292250 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=C)c4c3cc(cc4)O D292500 Cc1cncc(n1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 D292550 c1cc2c(c(c1)O)C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)CO)O)O)O)C2=O D292570 CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 D292595 c1cc(ccc1CCN)S(=O)(=O)NC(=O)NC2CCCCC2 D292600 COCCOc1cc2c(cc1OCC(=O)O)c(ncn2)Nc3cccc(c3)C#C D292800 CN(CCCN1CCc2cc(c(cc2CC1=O)OC)O)C[C@H]3Cc4c3cc(c(c4)OC)OC D292985 CN(CCCN1CCc2cc(c(cc2CC1=O)O)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D292990 COc1cc2c(cc1OC)CC(=O)N(CC2)CCCNC[C@H]3Cc4c3cc(c(c4)OC)OC.Cl D293000 [2H]C([2H])(C([2H])([2H])NC[C@H]1Cc2c1cc(c(c2)OC)OC)C([2H])([2H])N3CCc4cc(c(cc4CC3=O)OC)OC.Cl D293002 CN(CCc1ccc(cc1)OC)CC(c2ccc(cc2)OC)C3(CCCCC3)O D293030 [2H]C([2H])([2H])N(CCc1ccc(cc1)OC)CC(c2ccc(cc2)OC)C3(CCCCC3)O D293032 Cc1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F D293040 [2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3cccc(c3)C)[2H])[2H])S(=O)(=O)N)[2H] D293042 CCCc1nc2ccc(c(c2n1Cc3ccc(cc3)c4ccccc4C(=O)O)C)c5nc6ccccc6n5C D293045 CCCc1nc2ccc(c(c2n1Cc3ccc(cc3)c4ccccc4C(=O)OC)C)c5nc6ccccc6n5C D293050 CNCC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)OC.C(=O)(C(F)(F)F)O D293060 CC(=O)CCCCn1c2c(c(=O)n(c1=O)CCCCC(=O)C)n(cn2)C D293090 CC(=O)CCCCn1cnc2c1n(c(=O)n(c2=O)CCCCC(=O)C)C D293100 CCC(=O)OC1(CCN(CC1)C)c2ccccc2.Cl D293200 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2)C)OC(=O)CC)[2H])[2H].Cl D293202 COc1c(ncnc1O)NS(=O)(=O)c2ccc(cc2)N D293300 CNCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC D293500 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC D293502 c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@H](C3)C(=O)NCC4=O)c5ccc6c(c5)OCO6 D293800 [2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D293862 CC/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/c4ccccc4 D293870 [2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/c4ccccc4 D293872 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3.Cl D293900 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 D293902 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)CCSS(=O)(=O)C)/c3ccccc3.Br D293925 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)CCSS(=O)(=O)C)/c3ccccc3 D293926 CC[C@@H](c1cccc(c1)O)[C@@H](C)CNC D294000 CC[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CNC D294005 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5[nH]c6ccccc6n5)C D294250 CC(C)(C)C#C/C=C/CNCc1cccc2c1cccc2 D294300 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C)[2H])[2H] D294302 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C5=C(COC5=O)CS4 D294325 COc1ccc2c3c1OC4=C(C=C[C@@H]5[C@@]34CCN([C@@H]5C2)C(=O)OC)OC D294335 CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)n(n1)C D294350 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=S)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D294352 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CNC)O)O D294400 [2H]C([2H])([2H])NCc1c(ccc2c1cc3c(n2)-c4cc5c(c(=O)n4C3)COC(=O)[C@@]5(CC)O)O D294402 CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3 D294460 Cc1ccc(cc1)S(=O)(=O)Oc2c(c(c(c3c2C(=O)OC3)C)O)C/C=C(\C)/CCC(=O)O D294525 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O D294700 [2H]C([2H])([2H])NC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl D294702 CNC[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O D294720 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O D294725 CN(C)CC1CCCCC1(c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O D294735 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O.Cl D294740 [2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O)C([2H])([2H])[2H] D294742 CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)O)O D294745 CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)O)O.Cl D294750 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O.Cl D294755 [2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O)C(=O)C(F)(F)F D295452 c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCNCC4 D295500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)([2H])[2H])[2H] D295502 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)NC)C)O D296000 CNCC(c1ccc(cc1)OC)C2(CCCCC2)O D296495 [2H]C([2H])([2H])NCC(c1ccc(cc1)OC)C2(CCCCC2)O D296497 CN(C)CC(c1ccc(cc1)O)C2(CCCCC2)O D296500 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN(C)C)c2ccc(cc2)O)O)[2H] D296502 CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O D296505 CN(C)C[C@H](c1ccc(cc1)O)C2(CCCCC2)O D296510 CN1CC(C2(CCCCC2)OC1)c3ccc(cc3)O D296520 [2H]C1(N(CC(C2(O1)CCCCC2)c3ccc(cc3)O)C([2H])([2H])[2H])[2H] D296522 CN(C)CC(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O D296525 CN(C)CC(c1ccc(c(c1)Cc2cc(ccc2O)C(CN(C)C)C3(CCCCC3)O)O)C4(CCCCC4)O D296530 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN(C)C)C3(CCCCC3)O)C(=O)OC)OC(=O)C D296535 CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)O)(C#N)c2ccc(c(c2)OC)OC D296750 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C(=O)OC)O D296760 CNCCc1c[nH]c2c1cc(cc2)CC3COC(=O)N3 D296765 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3 D296767 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3.Cl D296768 c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)OC(=O)N4CCNCC4.Cl D296770 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])[2H] D296772 CC(=O)O.c1ccc(cc1)CC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N D296790 [2H]c1c(c(c(c(c1[2H])[2H])CC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)[2H])[2H] D296792 c1ccc(cc1)CCN2CCC(CC2)Nc3ccc(cc3)F D296815 COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F D296830 COc1cc2c(cc1OCCCNCCO)c(ncn2)Nc3ccc(c(c3)Cl)F D296835 c1c(c(c(c[n+]1CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N D296845 [2H]c1c(c(c(c([n+]1C([2H])([2H])CCC[C@@H](C(=O)O)N)[2H])CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N D296847 C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C D296860 [2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D296862 c1cc(cc(c1)n2c(=O)c(c(cn2)N)Cl)C(F)(F)F D296865 [2H]c1c(c(c(c(c1[2H])n2c(=O)c(c(cn2)N)Cl)[2H])C(F)(F)F)[2H] D296867 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC D296870 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34 D296875 [2H]C1(C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]2([C@@]1([13C]#[13CH])O)CC)[2H] D296877 CN1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)OC D296880 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)OC D296882 CC[C@]12CC(=C)[C@@H]3[C@H]4CCCCC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O D296885 CN1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)O D296900 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)O D296902 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O D296940 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O D296942 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C D296970 c1ccc(cc1)C(c2ccccc2)C3CCCCN3 D296980 Cc1c(nc2ccccc2n1)C(=O)/C=C/c3ccccc3 D296990 c1c(c(c(=O)[nH]n1)Cl)N D297000 c1c(c(c(=O)[15nH][15n]1)Cl)N D297002 c1cc(ccc1c2cc3ccc(c(c3s2)C(=O)c4ccc(cc4)OCCN5CCCCC5)O)O D297050 CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ncc(s3)C(=O)O D297075 CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ncc(s3)CO D297080 CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N D297150 CCOc1cc(ccc1C(=O)OC)CC(=O)N[C@@H](CC(C)C)c2ccccc2N D297160 CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2NCCCCC(=O)O D297170 C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)O)nc(n2)N(CCO)CCO D297200 C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=CC4C(C3CC2)CC=C5C4(CC[C@@H](C5)O)C)C)O D297250 CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C D297255 CC1CN(CCC1N(c2ccccc2)C(=O)C(F)(F)F)CCc3ccccc3 D297260 CC1CN(CCC1Nc2ccccc2)CCc3ccccc3.C(=C\C(=O)O)\C(=O)O D297265 c1cc2c(c3c1CC[C@H]3CCN)CCO2 D297275 COc1c(c(cc2c1n(cc(c2=O)C(=O)O)C3CC3)F)NCCN D297280 Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)Br D297290 CSC[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2NC1 D297310 CSC[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C#N D297315 CCCNCCc1cccc2c1CC(=O)N2 D297380 [2H]C([2H])([2H])CCNCCc1cccc2c1CC(=O)N2 D297382 Cc1cccc(c1NC(=O)C2CCCCN2)C D297385 C[C@@H]([C@@H](CCCCCC(=O)O)N)N D416550 c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)O D416575 c1ccc(cc1)c2c(nc(s2)N)N.Br D416590 c1cc(sc1)C(=O)c2ccc(c(c2)N)N.[Cl] D416601 c1c(nc(nc1N2CCCCC2)N)N D416640 [2H]C([2H])([2H])C([2H])(C([2H])([2H])N)N D416657 CCCOc1ccccc1c2[nH]c(=O)c(c(n2)N)N D416670 C(CN)CNCCCN D416680 c1[nH]c2c(nc(nc2n1)N)N D416700 c1nc2c(nc(nc2n1[C@H]3CC([C@H](O3)CO)O)N)N D416735 c1c(c(nc(n1)N)N)C#N D416740 c1c(c(nc(n1)N)N)C=O D416750 c1cc2c(cc1N)c(ncn2)N D416755 C1CC[C@H]([C@@H](C1)[NH-])[NH-].[OH-].[OH-].[Pt+6] D416760 C1CC[C@H]([C@@H](C1)[NH-])[NH-].C1CC[C@H]([C@@H](C1)[NH-])[NH-].[OH-].[OH-].[Pt+4].[Pt+4] D416765 C(CS(=O)(=O)O)Sc1nc(nc(n1)N)N D416770 [2H]C([2H])(C([2H])([2H])S(=O)(=O)O)Sc1nc(nc(n1)N)N D416772 Cc1ccc(cc1N)N D416780 [2H]C([2H])([2H])c1ccc(cc1N)N D416782 Cc1c(cccc1N)N D416785 Cc1cccc(c1NC(=O)[C@H]2CCCCN2)C D297390 CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O D297400 c1ccc(cc1)C[C@H](C[C@@H](CN2CCNCC2)O)C(=O)N[C@H]3c4ccccc4C[C@H]3O.Cl D297405 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)N D297415 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O D297430 [2H]C([2H])([2H])C(c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O)C([2H])([2H])[2H] D297432 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@H]3[C@@H](NC(=O)O3)Cc4ccccc4 D297450 c1cc(oc1)C(=O)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O D297455 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C/C(=O)O D297465 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=C(C(=O)O)C(=O)O D297470 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=[13C]([13C](=O)O)[13C](=O)O D297472 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)Cn5c(=S)n(nn5)C)C(=O)O D297500 CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)\C)(C)O D297530 CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)\C)(C)O D297540 CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)OC(=O)C)(C)OC)C)\C)(C)O D297550 C(C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O)N)O D297600 Cc1cc(cc(c1)C(C)(C)C#N)CC(C)(C#N)c2cc(cc(c2)C(C)(C)C#N)C D297760 Cc1cc(cc(c1)C(C)(C)C#N)CC(C#N)c2cc(cc(c2)C(C)(C)C#N)C D297765 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(CN=C=O)c6ccc(cc6Cl)Cl D297800 CCCC1COC(O1)(CBr)c2ccc(cc2Cl)Cl D297825 Cc1c(ccnc1CSc2[nH]c3ccccc3n2)O D297850 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S/C(=N\O)/CCCCS(=O)C)OC(=O)C)OC(=O)C)OC(=O)C D297880 [2H]C([2H])([2H])S(=O)C([2H])([2H])CCC/C(=N/O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C D297882 C[C@H]1[C@@H](C(=O)N1)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N.C(=O)(C(F)(F)F)O D297900 C[C@H]1[C@@H](C(=O)N1)NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)/c2csc(n2)N D297905 CS(=O)CCCC/C(=N/O)/S[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O D297910 [2H]C([2H])([2H])S(=O)C([2H])([2H])CCC/C(=N/O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O D297912 Cc1ccc(cc1)c2cc(n(n2)c3ccc(cc3)S(=O)(=O)N)C(F)(F)F D297915 [2H]c1c(c(c(c(c1n2c(cc(n2)c3ccc(cc3)C)C(F)(F)F)[2H])[2H])S(=O)(=O)N)[2H] D297917 c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@@H](C5)O)CO D297920 CC(C)C[C@H](C(=O)NC1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O[C@H]5[C@@H]([C@H](C([C@H](O5)CO)O)O)O)Oc6ccc(cc6Cl)[C@H]([C@H]7C(=O)N[C@@H](c8cc(cc(c8-c9cc(ccc9O)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)O)C(=O)O)O)O)NC D297925 CC(C)NCC(c1ccc(cc1)O)O.Cl D297950 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1ccc(cc1)O)O.Cl D297952 Cc1cccc(c1C)Cc2c[nH]cn2.Cl D297975 Cc1cccc(c1C)Cc2c[15nH][13cH][15n]2.Cl D297977 [2H][C@]12[C@H]([C@@H]([C@H](O[C@H]1OC(O2)(C)OC)COC(=O)C)OC(=O)C)OC(=O)C D298000 [2H]O[2H] D298202 C[C@@H]1CC2=C3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C D298775 C[C@@H]1C[C@H]2C3=C([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)[C@]4(C=CC(=O)C=C4CC3)C D298780 C[C@@H]1C[C@H]2C3=CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C D298785 C[C@@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C D298790 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@H](/C4=C(\C=O)/O)C)C)O)F)C D298792 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C D298795 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C D298800 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)F)C D298802 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C D298805 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)C)O)F)C D298810 CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC D298815 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] D298817 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO D298820 [2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO D298822 CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298825 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298827 CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298830 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298832 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C D298835 CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl D299000 CC[C@@H]1C([C@@H]([C@@H](C(O1)COC[C@@H]2C([C@@H]([C@@H](C(O2)COC)O)OC)O)O)O)O D299100 C[C@H](CN1c2ccccc2Sc3c1cc(cc3)OC)CN(C)C.C(=C\C(=O)O)\C(=O)O D299250 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC.O.Br D299455 [2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC D299457 C[N@+]1(CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC)[O-].Cl D299465 CN1CCC23CCCCC2C1Cc4c3cc(cc4)O.C(C(C(=O)O)O)(C(=O)O)O D299485 [2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O.C(C(C(=O)O)O)(C(=O)O)O D299487 CN1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D299500 [2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D299502 [2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D299602 CC(=O)Oc1cccc2c1C(=O)c3c(cc(cc3OC(=O)C)C(=O)O)C2=O D303000 CC(=O)Oc1cc(cc2c1C(=O)[13c]3[13c]([13cH][13cH][13cH][13c]3OC(=O)C)C2=O)C(=O)O D303002 CC(=O)Nc1[nH]c(=O)c2c(n1)nc(s2)NC(=O)C D304100 CC(=O)NC(C)(C(=O)O)NC(=O)C D304180 c1ccc(c(c1)CC(=O)OCC(=O)OCC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl D304530 CC(C)NCC(COc1ccc(cc1C(=O)C)NC(=O)C)O D305200 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1C(=O)C)NC(=O)C)O D305202 CC1=N/C(=C\c2ccc(c(c2)OC(=O)C)OC(=O)C)/C(=O)O1 D306875 CC(=O)OC1CCCN(C1OC(=O)C)C(=O)OCc2ccccc2 D307050 CC(CC=C(c1ccccc1)c2ccccc2)C3CCC4[C@@]3([C@H](CC5C4CCC6[C@@]5(CC[C@H](C6)OC(=O)C)C)OC(=O)C)C D307250 CC(c1cc(cc(c1)OC(=O)C)OC(=O)C)Br D307560 CC(c1cc(cc(c1)OC(=O)C)OC(=O)C)O D307570 CC(=O)Oc1cc(cc(c1)OC(=O)C)C=C D307580 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] D308577 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] D308607 CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4(C(=CC=C4OC(=O)C)[C@@H]3CC=C2C1)C)C D308680 Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)OC(=O)C)OC(=O)C D308875 CC(=O)O[C@H]1COC=C[C@@H]1OC(=O)C D308950 CC(=O)Nc1ccc(cc1)c2ccc(cc2)NC(=O)C D309175 CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2nc(nc3OCc4ccccc4)N)OC(=O)C D309200 CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)CN(Cc2ccccc2)C(C)(C)C D309280 CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)OC(=O)C D309400 CC(=O)OCC#CCOC(=O)C D309550 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O D310500 CC(=O)N[C@H](CSC(=O)C)C(=O)O D312300 CC(=O)N[C@H](CSSC[C@H](C(=O)O)NC(=O)C)C(=O)O D312500 CC(=O)N[C@H](CSSC[C@H](C(=O)OC(C)(C)C)NC(=O)C)C(=O)OC(C)(C)C D312515 [2H]C([2H])([2H])C(=O)N[C@@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)C([2H])([2H])[2H])C(=O)OC(C)(C)C D312517 CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)NC(=O)C)NC(=O)C D314000 C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(nc2=O)N)F)OC(=O)C)OC(=O)C D322500 CCC(C)COC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322615 C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(nc2=O)NC(=O)OCCC(C)C)F)OC(=O)C)OC(=O)C D322620 CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322625 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322627 CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2ccc(=O)[nH]c2=O)OC(=O)C D324500 CCOc1cc(ccc1C(=O)NCC2CN(CCO2)C(=O)C)NC(=O)C D324740 CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)C(=O)C)Cl)NC(=O)C D324750 CC(=O)O[C@H](COC(=O)c1ccccc1)[C@H](CC(OC)OC(=O)C)OC(=O)c2ccccc2 D326990 CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O[Si](C)(C)C(C)(C)C D326995 CC(=O)OC[C@@H]1C=CC(=O)C(O1)OC(=O)C D327005 CC(=O)Nc1ccc(cc1[N+](=O)[O-])c2ccc(c(c2)[N+](=O)[O-])NC(=O)C D327025 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC(=O)C)C D327600 CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O D328985 CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O D329000 CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D330500 CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)OC(=O)C)O D335000 CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)C(=O)C D347500 CC(=O)OC[C@@H]1[C@@H]2[C@@H](C(O1)OC(=O)C)OC(O2)(C)C D348250 Cc1ccc(cc1)S(=O)(=O)O[C@H]2CO[C@]3(COC(O3)(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C D353250 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC(=O)C)CC[C@@H]4[C@H](C)CC(=O)OC)C)C)([2H])[2H])OC(=O)C D353402 [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC(=O)C)CC[C@@H]4[C@H](C)CC(=O)OC)C)C)([2H])[2H])OC(=O)C D353412 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)Cl)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C D361000 CCOC(=O)CN(c1ccc(cc1)N(CC(=O)OCC)C(=O)C)C(=O)C D363500 CC(=O)c1c(cc(c(c1O)C(=O)C)O)O D365500 CC(=O)c1cc(n[nH]1)C(=O)C D366000 CC(=O)O[C@@H]1[C@@H](C(=O)OC1=O)OC(=O)C D400550 CC(=O)O[C@@H]1[C@@H](C(=O)OC1=O)OC(=O)C D400570 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 D413000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 D414000 CCOC(=O)C(c1ccc(c(c1)OC)OC(=O)C)OC(=O)C D414800 [2H]C([2H])([2H])Oc1cc(ccc1OC(=O)C)C(C(=O)OCC)OC(=O)C D414802 C=CC(=O)N1CCN(CC1)C(=O)C=C D416000 C1(C(=O)NC(=O)NC1=O)O D416015 C1(C(=O)[15NH][13C](=O)[15NH]C1=O)O D416017 C[C@@H]1CN([C@H](CN1CC=C)C)CC=C D416030 COc1ccc2c(c1)c(c[nH]2)CCN(CC=C)CC=C D416040 c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N D416050 c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)N)N D416080 C1CC[C@H]([C@@H](C1)N)N D416090 c1cc2c(cc1N)[nH]c3cc(ccc3c2=O)N D416120 COc1ccc(c(c1)N)N D416125 Cc1nc(c(c(n1)N)/N=N/c2ccccc2)N D416135 c1cc(c(cc1c2ccc(c(c2)N)N)N)N D416150 C(CCCN)CCN D416170 [2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])N)C([2H])([2H])C([2H])([2H])N D416172 c1c(c(cc2c1[nH]cn2)N)N D416200 c1c(c(cc2c1[nH]cn2)N)N D416201 COC(=O)c1cccc(c1N)N.Cl D416211 COC(=O)c1ccc(c(c1)N)N.Cl D416215 c1cc(c(cc1C#N)N)N D416220 c1c(c(cc2c1[nH]c(=O)s2)N)N D416230 C1[C@@H]([C@@H]([C@@H](S1)CCCCC(=O)O)N)N D416235 COC(=O)c1c(nc(c(n1)Cl)N)N D416240 C1[C@@H](C=C[C@@H]1Nc2c(c(nc(n2)N)Cl)N)CO D416245 C1[C@@H](C=C[C@@H]1Nc2c(c(nc(n2)N)Cl)N)CO D416246 C(CN)[C@@H](C(=O)O)N D416250 [13CH2]([13CH2]N)[13C@@H]([13C](=O)O)N D416252 c1c(c(c(nc1Cl)Cl)N)N.Cl D416253 [2H]C([2H])(C([2H])([2H])N)C([2H])(C(=O)O)N D416254 c12c(=O)[nH]c(nc1nc(s2)N)N D416255 N.N.[I-].[I-].[Pt+2] D416260 [NH2-].[NH2-].N(=O)[O-].N(=O)[O-].[Pt+4] D416263 CCOc1cc(c(cc1OCC)N)N.Cl D416265 COc1cc(c(cc1OC)N)N D416270 c1nc(c(c(n1)Cl)N)N D416275 c1ccc2c(c1)C(=O)C3=C(CCC(=C3C2=O)N)N D416280 [HH].CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C.OOP(=O)=O D416285 [HH].[2H]C([2H])([2H])C(c1c(nc2c(n1)c(nc(n2)N)N)C(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H].OOP(=O)=O D416287 Cn1c(c(c(=O)n(c1=O)C)N)N D416290 c1cc(ccc1N)Nc2ccc(cc2)N.OS(=O)(=O)O D416300 c1cc2c(c(c1N)N)OCCO2 D416310 c1c(c(cc2c1OCCO2)N)N D416320 c1c(c(cc2c1OC(O2)(F)F)N)N D416330 c1(c([nH]c(=O)[nH]c1=O)N)N.Cl D416335 c1([13c]([13c](=O)[nH]c(=O)[nH]1)N)N.Cl D416336 CCCn1c(c(c(=O)n(c1=O)CCC)N)N D416337 c1c(c(cc2c1[nH]c(=O)[nH]2)N)N D416340 c1c(c(cc2c1[nH]c(=O)[nH]2)N)N D416341 c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N D416345 c1ccc(cc1)N=Nc2cc(c(nc2N)N)O D416348 c1(c(nc(nc1O)N)N)N=O D416350 c1c([nH]c(nc1=O)N)N D416353 c1c(nc(nc1O)N)N.OS(=O)(=O)O D416355 C(#N)Sc1c(nc([nH]c1=O)N)N D416357 c1c2cn[nH]c2cc(c1N)N D416360 CC(C)Cn1c(c(c(=O)n(c1=O)C)N)N D416365 COc1ccnc(c1N)N D416366 c1c(nc(s1)N=C(N)N)CS(=O)CCC(=O)NS(=O)(=O)N D416367 c1c(nc(s1)N=C(N)N)CS(=O)CC/C(=N/S(=O)(=O)N)/N D416368 c1c(nc(s1)N=C(N)N)CSCCC(=O)NS(=O)(=O)N.Cl D416369 c1c(c(cc2c1OCO2)N)N D416370 c1c(nc(s1)N=C(N)N)CSCCC#N D416372 c1[13c](n[13c](s1)N=[13C](N)N)CSCCC#N D416373 Cn1c(=O)c(c(nc1SC)N)N D416374 Cc1c(c(ncn1)N)N D416375 c1[nH]c(c(c(=O)n1)N)N D416380 c1[nH][13c](c(c(=O)n1)[15NH2])N D416382 C.Cn1c(=O)c(c([nH]c1=O)N)N D416385 [2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)N D416387 c1([13c]([13c](=O)[nH]c(=O)[nH]1)N)N.OS(=O)=O D416392 c1c(nc2c(nc(nc2n1)N)N)CO.Cl D416395 c1ccc2c(c1)ccc(c2N)N D416400 c1ccc2c(c1)ccc(c2N)N D416401 c1cc2c(cccc2N)c(c1)N D416415 [2H]c1c(c2c(c(c(c(c2N)[2H])[2H])[2H])c(c1[2H])N)[2H] D416417 c1cc2c(ccc(c2N)N)c(c1)S(=O)(=O)N.Cl D416450 c1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)[O-])c4ccc(c5c4cccc5S(=O)(=O)[O-])Nc6ccccc6.[K+].[K+] D416480 c1c(c(nc(n1)N)N)[N+](=O)[O-] D416500 [2H]C([2H])([2H])c1c(cccc1N)N D416787 c1(c([nH]c(=O)[nH]c1=O)N)N.OS(=O)(=O)O D416790 c1c(c(cc2c1[nH]c(=O)c(=O)[nH]2)N)N D416800 c1c(c(c(s1)CCCCC(=O)O)N)N D416805 Cc1ccc(c(c1)N)N D416810 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])N)N)[2H] D416812 c1(c([nH]c(=S)[nH]c1=O)N)N D416815 c1(c(=O)[nH]c(=S)[nH][13c]1N)[15NH2] D416817 c1(c(c(c(c(c1I)N)I)N)I)C(=O)O D416820 Cc1cccc(c1N)N D416825 [2H]C([2H])([2H])c1cccc(c1N)N D416827 c1cc(c(cc1N)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N D416830 C1C[C@H](Cc2c1nc(s2)N)N D416835 C1C[C@@H](Cc2c1nc(s2)N)N D416840 c1(c([nH]c(=O)[nH]c1=S)N)N D416845 c1([13c]([13c](=S)[nH]c(=O)[nH]1)N)N D416847 C.c1c(c(cs1)N)N D416850 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D416855 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D416857 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)N(c3c2cc(cc3)Cl)C)[2H])[2H] D416858 c1c(nc(nc1N)S)N D416860 C(COCCOCCN)N D416863 CCCCCN(CCCCC)N=O D416864 c1ccc(cc1)C2OCC3[C@@H](O2)[C@@H]4C(O4)CO3 D416868 B(F)(F)F.COc1ccc(cc1)[I+]c2ccc(cc2)OC.[F-] D416870 C1C[C@H]2CNC[C@H]2NC1 D416871 C[C@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)N1 D416873 C(COCCOCCOCCN=[N+]=[N-])N=[N+]=[N-] D416875 CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C D416880 [2H]C([2H])([2H])C([2H])([2H])OP(=S)(Oc1cc(nc(n1)C(C)C)C)OC([2H])([2H])C([2H])([2H])[2H] D416882 c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F D416883 B(F)(F)F.c1cc(ccc1[N+]#N)S(=O)(=O)O.[F-] D416885 C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+]#N D416888 [2H]c1c(c(c2c(c1[2H])CC(=O)c3ccccc3N2)[2H])[2H] D416892 c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4n3 D416900 [2H]c1c(c(c2c(c1[2H])c(c(c3c2nc4ccc5ccccc5c4c3)[2H])[2H])[2H])[2H] D416902 CCC(=O)N(CC(C)N(C)CCc1ccccc1)c2ccccc2.Cl D416905 [2H]C([2H])([2H])C([2H])([2H])C(=O)N(CC(C)N(C)CCc1ccccc1)c2ccccc2.Cl D416907 c1ccc2c(c1)ccc3c2cc4c5ccccc5ccc4n3 D416910 Cc1ccc(cc1)S(=O)(=O)N(C)N=O D416915 CN1c2ccccc2C(=O)N(c3c1cccc3)CCN(C)C D416920 CN1c2ccccc2C(=O)N(c3c1cccc3)CCN(C)C D416922 c1ccc2c(c1)COc3ccccc3C2=O D416925 CCCCC[C@H](CC(=O)NOCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2COCc3ccccc3 D416930 c1ccc2c(c1)CCc3ccccc3C2 D416935 c1ccc2c(c1)CCc3ccccc3C2=O D416940 c1ccc2c(c1)cc3ccc4cccc5c4c3c2c6c5cccc6 D416945 [2H]c1c(c(c2c(c1[2H])c3c(c(c(c4c3c5c2c6ccccc6cc5cc4)[2H])[2H])[2H])[2H])[2H] D416947 c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4[nH]3 D416950 c1ccc2c(c1)C(=O)Nc3ccccc3S2 D416953 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O D416954 c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N D416955 c1ccc(cc1)CN(Cc2ccccc2)CC3CCCCC3=O.Cl D416960 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N5CCCNC5=O D416965 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N5CCCNC5=O D416967 COc1cccc(c1)C2(CCCCC2CN(Cc3ccccc3)Cc4ccccc4)O.Br D416970 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCc5ccccc5)OCc6ccccc6)OCc7ccccc7)OC(=O)c8ccccc8)O D416973 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OCc3ccccc3)COCc4ccccc4)O[C@H]5[C@@H](C([C@H]([C@H](O5)COCc6ccccc6)OCc7ccccc7)OCc8ccccc8)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 D416975 c1ccc(cc1)C[C@@H](C(=O)CC#N)N(Cc2ccccc2)Cc3ccccc3 D416980 c1ccc2c(c1)cc3ccc4cc5ccccc5c6c4c3c2cc6 D416985 [2H]c1c(c(c2c(c1[2H])c(c3c(c(c4c(c5c(c(c(c(c5c6c4c3c2c(c6[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] D416987 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)NC(=O)CC(C)(C)O D416990 c1ccc(cc1)COC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](CSCc3ccccc3)NC(=O)CC[C@H](C(=O)OCc4ccccc4)NC(=O)OCc5ccccc5 D416995 CCN(CC)P(OCc1ccccc1)OCc2ccccc2 D417000 c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3 D417010 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c4c(c(c5c(c(c(c(c5c4c3[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] D417012 c1ccc(cc1)CSSCc2ccccc2 D417080 c1ccc(cc1)CN(Cc2ccccc2)C=O D417100 c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)n3cc(c(=O)[nH]c3=O)I)F)OC(=O)c4ccccc4 D417150 c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)n3cc(c(=O)[nH]c3=O)I)F)OC(=O)c4ccccc4 D417160 C(COCCOCCN=[N+]=[N-])N=[N+]=[N-] D417200 B(F)(F)F.c1cc(c(cc1[N+](=O)[O-])[N+]#N)O.[F-] D417230 CC(C)(C)OC(=O)NCC(CN=[N+]=[N-])N=[N+]=[N-] D417265 C(COCCN=[N+]=[N-])N=[N+]=[N-] D417280 C(COCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-] D417300 CC1=NS(=O)(=O)c2cc(ccc2N1)Cl D417305 [13CH3][13C]1=[15N]S(=O)(=O)c2cc(ccc2N1)Cl D417307 c1ccc-2c(c1)CC(=O)Nc3c2cccc3 D417310 c1ccc(cc1)C(=O)CCC(=O)c2ccccc2 D417320 c1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O D417325 c1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O D417326 c1ccc2c(c1)CCc3ccccc3C2O D417330 c1ccc2c(c1)ccc3ccccc3c2=O D417335 COc1cc2c(cc1OCc3ccccc3)C4Cc5ccc(c(c5CN4CC2)O)OCc6ccccc6 D417340 c1ccc2c(c1)c3cc(ccc3s2)O D417345 c1ccc(cc1)CN2[C@H]3COC(=O)[C@H]3N(C2=O)Cc4ccccc4 D417380 c1ccc(cc1)CN2C3C[Se]C(=O)C3N(C2=O)Cc4ccccc4 D417420 c1ccc(cc1)CN2[C@H]3C[Se]C(=O)[C@H]3N(C2=O)Cc4ccccc4 D417423 C=C[C@H]([C@@H](C=C)OCc1ccccc1)OCc2ccccc2 D417430 CC(C)N(C(C)C)P(OCc1ccccc1)OCc2ccccc2 D417500 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C(C(C(=O)O)N)O.Cl D417525 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C([13CH]([13C](=O)O)[15NH2])O.Cl D417527 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@H]([C@@H](C(=O)O)N)O.Cl D417530 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@@H]([C@@H](C(=O)O)N)O.Cl D417531 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@H]([13C@H]([13C](=O)O)[15NH2])O.Cl D417532 C=C1[C@H](C[C@H]([C@H]1COCc2ccccc2)OCc3ccccc3)n4cnc5c4nc([nH]c5=O)N D417550 c1ccc(cc1)Cn2cc(c(=O)n(c2=O)Cc3ccccc3)F D417570 c1ccc(cc1)COC(=O)CCCC(=O)OCc2ccccc2 D417650 c1ccc(cc1)CNCC(=O)NCc2ccccc2 D417680 c1ccc(cc1)COP(=O)OCc2ccccc2 D417720 c1ccc(cc1)C2OC[C@H]3[C@@H](O2)[C@H]4[C@@H](N3)COC(O4)c5ccccc5 D417790 c1ccc(cc1)C2OC3C(C(O2)C(=O)O)OC(OC3C(=O)O)c4ccccc4 D417815 c1ccc(cc1)C2OC(C3C(O2)C(OC(O3)c4ccccc4)CO)CO D417825 c1ccc(cc1)C2OC[C@H]([C@@H](O2)C3C(COC(O3)c4ccccc4)O)O D417840 c1ccc(cc1)C2OC[C@]3([C@@H](O2)[C@H]4[C@@](O3)(COC(O4)c5ccccc5)O)O D417850 c1ccc(cc1)CN2[C@@H]3[C@@H](C(=O)OC3=O)N(C2=O)Cc4ccccc4 D417870 c1ccc(cc1)CN2CCN(CC2)Cc3ccccc3 D417880 [2H]C1(C(N(CCN1Cc2ccccc2)Cc3ccccc3)([2H])[2H])[2H] D417882 CCCCCCCCc1ccc(cc1)CCC2(COC(=N2)C)COP(=O)(OCc3ccccc3)OCc4ccccc4 D417890 c1ccc(cc1)Cn2c(=S)n(sc2=O)Cc3ccccc3 D417960 CC(=O)c1cc(cc(c1)OCc2ccccc2)OCc3ccccc3 D417970 c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C=O D417980 c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)O)C(=O)OCc4ccccc4 D417985 COc1ccc(c(c1OCc2ccccc2)c3c(ccc(c3OCc4ccccc4)OC)C(=O)OC)C(=O)OC D417995 c1ccc(cc1)COCn2cc(c(=O)n(c2=O)COCc3ccccc3)F D418000 CCC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)Br D418005 CCC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)NC(c4ccccc4)c5ccccc5.Cl D418010 CCCC(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418015 CCC(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418025 CC(=O)Cc1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418030 CCC(c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)O D418050 c1ccc(cc1)COCC(COCc2ccccc2)O D418080 [2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)O)OCc2ccccc2 D418082 c1ccc(cc1)C[C@@H](C(=O)OCc2ccccc2)N(Cc3ccccc3)Cc4ccccc4 D418115 c1ccc(cc1)COP(=O)(OCc2ccccc2)Cl D418200 c1ccc(cc1)CN(Cc2ccccc2)C(CO)C(=O)OCc3ccccc3 D418675 c1ccc(cc1)CN(Cc2ccccc2)[13CH]([13CH2]O)[13C](=O)OCc3ccccc3 D418677 COc1cc2c(cc1OCc3ccccc3)C4Cc5ccc(c(c5CN4CC2)OC)OCc6ccccc6 D418800 CC([Si](Oc1c(cc(cc1)/C=C/C(O)CC(O)/C=C/c2cc(c(cc2)O[Si](C(C)(C)C)(C)C)OC)OC)(C)C)(C)C D428055 C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D428065 CCN(CC)P(OC(C)(C)C)OC(C)(C)C D429300 CC(C)N(C(C)C)P(OC(C)(C)C)OC(C)(C)C D429400 c1ccc(cc1)CN2[C@@H]3C[Se]C[C@@H]3N(C2=O)Cc4ccccc4 D418900 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OCc2ccccc2)OC(=O)C)OCc3ccccc3 D419000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OCc2ccccc2)OCc3ccccc3 D421000 CC(C)(C)OC(=O)N[C@@H](CSSC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)OC D422000 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(CO)O)C D422050 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422110 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)CO)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422225 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)COCc6ccc(cc6)OC)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422275 c1ccc(cc1)N2CC[C@@]3(C2=Nc4cc(ccc4C3=O)[N+](=O)[O-])O D422350 CC(=O)OCC(C=C)OC(=O)C D422425 CC(=O)O[C@@H]1[C@@H](C(OC1OC(=O)C)(COS(=O)(=O)C)COS(=O)(=O)C)OCc2ccccc2 D422460 C[C@H]1[C@@H]([C@H](C=CO1)OC(=O)C)OC(=O)C D422500 C/C(=N\Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])/C(=N/Nc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])/C D422530 C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)C D422550 C[C@@H](C(=O)N[C@H]1c2ccccc2-c3ccccc3N(C1=O)C)NC(=O)Cc4cc(cc(c4)F)F D422600 c1ccc2c(c1)c(=O)c(=O)c3ccccc3[nH]2 D422620 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)(F)F)OC(=O)c4ccccc4 D422652 C/C(=C/c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)/[N+](=O)[O-] D422690 c1ccc(cc1)COc2ccc(cc2)c3coc4cc(ccc4c3=O)OCc5ccccc5 D422725 C(C(=O)CBr)Br D422775 C([13C](=O)CBr)Br D422777 C1[C@H]2C[C@@]3(C[C@](C2)(C[C@H]1C3)Br)Br D422875 COc1c(ccc(c1Br)Br)N D422950 COc1c(cc(cc1Br)Br)N D422955 COc1c(ccc(c1N)Br)Br D422960 c1ccc2c(c1)c(c3ccccc3c2Br)Br D422990 c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)[O-])Br.[Na+] D423000 c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)O)Br D423010 c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)Cl)Br D423500 COC(=O)c1ccc(cc1Br)Br D424500 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)CBr D425000 c1cc(sc1c2ccc(s2)Br)Br D425025 COCOc1ccc2cc(ccc2c1c3c4ccc(cc4ccc3OCOC)Br)Br D425075 c1cc(ccc1C(C(C(=O)O)Br)Br)Br D425110 c1ccc(c(c1)C(C(C(=O)O)Br)Br)Br D425115 CC(C(C#N)Br)Br D425180 C(#N)C(Cl)(Br)Br D425200 C(Cl)(Br)Br D425205 [13CH](Cl)(Br)Br D425207 C([N+](=O)[O-])(Cl)(Br)Br D425210 c1cc(ccc1C(C(C(=O)O)Br)Br)Cl D425220 c1c(nc(c(n1)Cl)Br)Br D425230 CN1C(=O)C(CC1(c2cccnc2)Br)Br.BrBrBr D425250 C(#N)C(C(=O)N)(Br)Br D425310 [13C](#N)[13C]([13C](=O)N)(Br)Br D425312 C1CC(C(CC1C(CBr)Br)Br)Br D425330 c1cc(c(c(c1Br)F)F)Br D425340 c1c2c(c(c(c1CCC(=O)O)Br)Br)OCC2 D425350 C[C@]12CC[C@@H]3c4cc(c(c(c4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)Br)O)Br D425360 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)Br)Br)O D425370 c1c(cc(c(c1F)CC#N)Br)Br D425380 C[C@]12CC[C@@H]3c4cc(c(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)O)Br)O)Br D425390 COc1cc(ccc1OCc2ccccc2)C=C(Br)Br D425400 COc1ccc(cc1OCc2ccccc2)C=C(Br)Br D425405 c1(c(c(sc1Br)Br)[N+](=O)[O-])[N+](=O)[O-] D425435 C1CC1C=C(Br)Br D425440 [2H]C1(C(C1([2H])[2H])C=C(Br)Br)[2H] D425442 C[C@]12CCC3c4cc(c(c(c4CC[C@H]3[C@@H]1C[C@H](C25OCCO5)O)Br)O)Br D425445 C(CBr)/C=C/CCBr D425450 COc1ccc(cc1)C(C(C(=O)O)Br)Br D425455 C1CCC(CC1)NC2CCCCC2.C(P(=O)(O)O)(P(=O)(O)O)(Br)Br D425460 c1ccc2c(c1)c(no2)C(Br)Br D425465 CC1(C(=C(C(N1[O-])(C)C)Br)Br)C D425470 c1cc(ncc1Br)Br D425472 c1c(cncc1Br)Br D425473 CC1(C(C(=O)C(C(N1)(C)C)Br)Br)C.Br D425475 C1CC(=O)c2c1c(c(c3c2CCO3)Br)Br D425478 C(COCCOCCBr)OCCOCCBr D425480 c1cc(sc1Br)Br D425483 CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)[N+](=O)[O-].Cl D425485 c1csc(c1Br)Br D425490 c1cn2cc(nc(c2n1)Br)Br D425495 C1COc2c(c(sc2Br)Br)O1 D425540 C(=O)(C(C(=O)N)(Br)Br)N D425600 [13C](=O)([13C]([13C](=O)N)(Br)Br)N D425602 c1cc(ccc1CBr)CBr D425650 [2H]c1c(c(c(c(c1CBr)[2H])[2H])CBr)[2H] D425652 COC(=O)c1ccccc1c2ccc(cc2)C(Br)Br D425660 CC(=CBr)CBr D425700 C([N+](=O)[O-])(Br)Br D425710 c1c(c(cnc1Br)[N+](=O)[O-])Br D425725 c1cc(c(c(c1)Br)Br)O D425740 CC(=O)Oc1c(cccc1Br)Br D425750 CC(=O)Oc1ccc(cc1Br)Br D425755 c1cc(c(cc1C(=N)N)Br)OCCCOc2ccc(cc2Br)C(=N)N D425800 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1Br)C(=N)N)C([2H])([2H])Oc2ccc(cc2Br)C(=N)N D425802 C(CBr)CBr D425850 C(C(C#N)Br)Br D425950 c1c(sc(n1)Br)Br D426050 c1c(sc(n1)Br)Br D426055 C(C(=O)C(F)(F)F)(Br)Br D426150 CCCCOc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC.Cl D426500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC.Cl D426502 CCCCN(CCCC)C(CO)c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl D426700 CCCCN(CCCC)CCCO D427000 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)O.Cl D427200 [2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)O.Cl D427202 CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)OC D427210 [2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)OC D427212 CC(C)(C)OC(=O)CN(CCBr)CC(=O)OC(C)(C)C D428000 CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)O[Si](C)(C)C(C)(C)C)/O D428050 Cc1cnc2ccc3c(c2n1)nc(n3C)Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N D429410 [2H]C([2H])([2H])n1c2ccc3c(c2nc1Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N)nc(cn3)C D429412 Cc1cnc2ccc3c(c2n1)nc(n3C)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)nc(nc5OCc7ccccc7)N D429415 [2H]C([2H])([2H])n1c2ccc3c(c2nc1Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)nc(nc5OCc7ccccc7)N)nc(cn3)C D429417 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429420 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)OCC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429425 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)C(=O)OCC=C)O)O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429430 CCCCN(CCCC)SCl D429440 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SCl D429442 CCCCn1c(c(c(=O)n(c1=O)CCCC)N)N D429445 CCCCOP(=O)(OCCCC)Cl D429450 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[Sn](CC)(CC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D429457 CC(C)(C)c1ccc(c(c1)C(C)(C)C)O D429475 [2H]C([2H])([2H])C(c1ccc(c(c1)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H] D429477 Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C D429480 CCCCOC(=O)c1ccccc1C(=O)OCCCC D429495 CCCCOC(=O)c1ccccc1C(=O)OCCCC D429500 CCCCOC(=O)CCCCCCCCC(=O)OCCCC D429525 CCCC[Sn+2]CCCC.[Cl-].[Cl-] D429552 CCCCn1c2c(c(=O)n(c1=O)CCCC)nc[nH]2 D429600 [2H]C([2H])([2H])Oc1c(ccc(c1C(=O)O)Cl)Cl D429802 [2H]C([2H])(C(=O)OCC)C([2H])([2H])N(C)C([2H])([2H])C([2H])([2H])C(=O)OCC D430652 c1ccc(cc1)COC(=O)[C@H](CCCCNCCCC[C@@H](C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 D430875 CC(Cc1ccc(cc1)C(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O D430980 [2H]C([2H])([2H])C(c1ccc(cc1)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O D430982 CCOC(=O)C(C)(Cc1ccc(cc1)CC(=O)O)C(=O)OCC D430990 CCOC(=O)Cc1ccc(cc1)CC(C)(C(=O)OCC)C(=O)OCC D430995 c1cc(ccc1N(CC(=O)[O-])N=O)N(CC(=O)[O-])N=O.[Na+].[Na+] D431250 CN1CCc2cc3c(c-4c2[C@H]1Cc5c4cc(c(c5)OC)OC)OCO3 D431500 [13cH]1[13c]([13cH][13c]([13c]([13c]1Cl)N)Cl)[N+](=O)[O-] D431752 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)Cl)Cl D431755 C(=O)C(Cl)Cl.O D431765 C(C(=O)CCl)Cl D431770 CC(=O)c1ccc(c(c1)Cl)Cl D431775 c1cc2c(cc1O)CCCN2C(=O)C(Cl)Cl D431785 c1cc(c(cc1N)Cl)Cl D431800 [13cH]1[13cH][13c]([13c]([13cH][13c]1N)Cl)Cl D431802 [2H]c1cc(c(c(c1N)[2H])Cl)Cl D431803 c1cc(c(c(c1)Cl)N)Cl D431805 c1cc(c(c(c1)Cl)C=O)Cl D431850 c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)NC(=O)c3cccc(c3Cl)Cl)N D431860 c1cc(c(c(c1)Cl)Cl)[13C](=O)NN[13C](=N)N D431877 c1cc(c(cc1Cl)Cl)CCC=O D431890 c1cc(c(cc1Cl)CCC=O)Cl D431895 c1c2c(cc(c1Cl)Cl)nc[nH]2 D431900 c1cc(c(c(c1)Cl)Cl)[13C](=O)O D431952 c1ccc(c(c1)C(=O)c2ccc(c(c2)Cl)Cl)C(=O)O D432200 c1cc(c(cc1Cl)Cl)C(=O)C#N D432210 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)Cl)OC(=O)c3ccc(cc3)Cl)Cl D432235 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3cc(c(=O)[nH]c3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432275 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432277 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432282 c1cc(c(cc1Cl)CN)Cl D432285 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3cc(c(=O)[nH]c3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432290 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432292 c1cc(c(cc1Cl)Cl)CCl D432320 [2H]C([2H])(c1ccc(cc1Cl)Cl)Cl D432322 CC(C)N(C(C)C)P(OCc1ccc(cc1)Cl)OCc2ccc(cc2)Cl D432500 c1cc(c(cc1CN2c3ccc(cc3C(=C(C#N)C#N)C2=O)S(=O)(=O)N4CCSCC4)Cl)Cl D432515 c1cc(ccc1CCO)OCc2ccc(c(c2)Cl)Cl D432825 CS(=O)(=O)OCCc1ccc(cc1)OCc2ccc(c(c2)Cl)Cl D432875 c1cc2c(cc1CBr)c(c3ccc(cc3c2Cl)CBr)Cl D433450 CCBr.c1ccc2c(c1)c(c3ccc(cc3c2Cl)CBr)Cl D433455 CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O D433550 c1c(c(nc(n1)Cl)Cl)Br D433775 C([C@H]([C@@H](CCl)O)O)Cl D433930 C([C@@H]1[C@H](OS(=O)(=O)O1)CCl)Cl D433940 C(/C=C\CCl)Cl D433980 CC1([C@@H]2CC[C@@]13CS(=O)(=O)N=C3C2(Cl)Cl)C D433985 CC1([C@@H]2CCC13CS(=O)(=O)N4[C@@]3(C2(Cl)Cl)O4)C D433990 c1c(c(cc(c1Cl)Cl)O)O D434000 c1c[nH]c2c1c(nc(n2)Cl)Cl D434025 c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl D434085 COC(=O)C=C(C(Cl)Cl)C(Cl)Cl D434090 c1c2cc(cnc2c(cc1Cl)C(Cl)Cl)Cl D434100 c1cc(c(c2c1cc(cn2)Cl)C(Cl)Cl)Cl D434105 C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N D434110 c1cc2c(cc1Cl)CCc3ccc(nc3C2=O)Cl D434150 c1cc2c(cc1Cl)CCc3cc(cnc3C2=O)Cl D434155 c1cc2c(cc1Cl)CCc3c(ccnc3C2=O)Cl D434160 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)Cl D434170 CP(=O)(Nc1ccc(c(c1)Cl)F)Nc2ccc(c(c2)Cl)F D434175 CC(C)N(C(C)C)P(Cl)Cl D434180 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl D434185 CCOC(=O)c1c(c(c([n+](c1Cl)[O-])C)C)Cl D434190 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl D434195 CCOC(=O)CC(=O)c1cc(c(nc1Cl)Cl)F D434200 CC(=O)Oc1cc2c(cc1Cl)C(c3cc(c(cc3O2)OC(=O)C)Cl)c4ccccc4C(=O)O D434215 CC(C)(CCC(C)(C)Cl)Cl D434220 [13CH3]C([13CH3])(CCC([13CH3])([13CH3])Cl)Cl D434222 COc1cc2c(cc1OC)nc(nc2Cl)Cl D434230 Cc1ccc2c(c1)c(c3ccc(cc3c2Cl)C)Cl D434250 CC.Cc1ccc2c(c1)c(c3ccccc3c2Cl)Cl D434255 c1ccc(cc1)C(c2ccccc2)(Cl)Cl D434260 C1CCN(CC1)c2c3c(c(nc(n3)Cl)N4CCCCC4)nc(n2)Cl D434265 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])c2c3c(c(nc(n3)Cl)N4C(C(C(C(C4([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])nc(n2)Cl)([2H])[2H])([2H])[2H])[2H] D434267 c1cc-2c(cc1Cl)Cc3c2ccc(c3)Cl D434465 c1cc-2c(cc1Cl)Cc3c2c(cc(c3)Cl)C(=O)CBr D434480 c1coc2c1c(nc(n2)Cl)Cl D434550 c1coc2c1nc(nc2Cl)Cl D434555 CN(C)C(=O)Cc1ccccc1Nc2c(cc(cc2Cl)O)Cl D434620 c1c(cc(c(c1Cl)O)Cl)O D434650 c1ccc2c(c1)CC(=O)N2c3c(cc(cc3Cl)O)Cl D434670 c1c2c(c(nc1Cl)Cl)nc[nH]2 D434825 c1cc(c(cc1Cl)Cl)C(=O)Cc2[nH]ccn2 D434830 c1cn2c(cc(nc2n1)Cl)Cl D434840 c1c[nH]c2c1c(cc(c2)Cl)Cl D434850 C(C(CCl)Cl)OC(CCl)CCl D434855 CC(C)n1cnc2c1nc(nc2Cl)Cl D434870 COc1ccccc1Oc2c(nc(nc2Cl)c3ncccn3)Cl D434910 CC(=O)Nc1c(cc(cc1Cl)OC)Cl D435070 CN(Cc1cccc(c1)OC)CC(c2ccc(c(c2)Cl)Cl)O D435080 [2H]C([2H])([2H])N(Cc1cccc(c1)OC)CC(c2ccc(c(c2)Cl)Cl)O D435082 COc1cc(c(c(c1)Cl)N)Cl D435090 COCOC(CCl)CCl D435100 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OCOC)Cl D435102 COc1cc(c(c(c1)Cl)Nc2ccccc2)Cl D435105 COc1ccc(c(c1Cl)Cl)C(=O)c2cccs2 D435120 COc1cnc(nc1Cl)Cl D435275 COc1nc(cc(n1)Cl)Cl D435280 COc1c(c(c(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] D435300 Cc1ccc(c(c1Cl)N)Cl D435330 Cc1[nH]c2cc(c(cc2n1)Cl)Cl D435360 Cc1cc2c([nH]1)cc(cc2Cl)Cl D435400 Cc1c(c(nc(n1)Cl)Cl)[N+](=O)[O-] D435450 Cc1c(cc(c(c1[N+](=O)[O-])Cl)Cl)C(F)(F)F D435460 Cc1c(ccnc1Cl)Cl D435480 Cc1cnc(nc1Cl)Cl D435500 Cc1cc(nc(n1)Cl)Cl D435505 Cc1c(ncnc1Cl)Cl D435530 CC(C)Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] D435550 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] D435552 c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCN3c4cc(ccc4CCC3O)O D435560 [2H]C1(C(N(C(C(N1CCCCN2c3cc(ccc3CCC2O)O)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H] D435562 CSc1nc(c(c(n1)Cl)C=O)Cl D435570 CSc1nc(cc(n1)Cl)Cl D435580 CSc1nc(c(c(n1)Cl)C#N)Cl D435590 c1cc(c(c(c1)Cl)Cl)C(=O)CCC(=O)O D435595 c1cc(c(c(c1)Cl)Cl)C2CCC(=O)O2 D435600 c1cc(nc2c1ccc(n2)Cl)Cl D435605 c1cc(c(c(c1[N+](=O)[O-])C#N)Cl)Cl D435610 c1c(cc(nc1Cl)Cl)N[N+](=O)[O-] D435615 c1c(cc([n+](c1Cl)[O-])Cl)[N+](=O)[O-] D435620 c1c(cc(nc1Cl)Cl)[N+](=O)[O-] D435625 c1cc(c(c(c1[N+](=O)[O-])CN)Cl)Cl D435630 C([N+](=O)[O-])(Cl)Cl D435635 c1c(c(nc(n1)Cl)Cl)[N+](=O)[O-] D435640 c1nc(c(c(n1)Cl)[N+](=O)[O-])Cl D435645 [2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)Cl.Cl D435992 COC(=O)/C=C/c1ccc(cc1)SSc2ccc(cc2)/C=C/C(=O)OC D436050 c1cc(ccc1C(C#N)c2c(cc(cc2Cl)n3c(=O)[nH]c(=O)cn3)Cl)Cl D436200 c1ccc2c(c1)CC(=O)N2c3c(cccc3Cl)Cl D436440 c1ccc(c(c1)CC(=O)[O-])Nc2c(cccc2Cl)Cl.[Na+] D436450 [2H]c1c(c(c(c(c1[2H])CC(=O)O)Nc2c(cccc2Cl)Cl)[2H])[2H] D436452 c1ccc(c(c1)CC(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)Cl D436475 C=CCOC(=O)C1[C@@H](C([C@H]([C@H](O1)OC(=O)Cc2ccccc2Nc3c(cccc3Cl)Cl)O)O)O D436485 C/C=C(\C(=C/C)\c1ccc(cc1)O)/c2ccc(cc2)O D441815 [2H]c1c(c(cc(c1)/C(=C(/C)\[2H])/C(=C(\C)/[2H])/c2cc(c(c(c2)[2H])O)[2H])[2H])O D441817 [2H]/C(=C(/C(=C(\C)/[2H])/c1ccc(cc1)O)\c2ccc(cc2)O)/C D441818 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O D441870 [2H]C1=C2CC[C@H]3[C@@H]4CC[C@]([C@]4(CCC3=C2CC(C1=O)([2H])[2H])C)(C([2H])([2H])C#N)O D441872 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CCC1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C.C(CO)NCCO D441880 CCOC(CCCNC=O)OCC D441885 CCOC(C(C)(C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-])OCC D441890 [2H]C([2H])([2H])C(C(OCC)OCC)(C([2H])([2H])[2H])OC(=O)Oc1ccc(cc1)[N+](=O)[O-] D441892 CC(C)(C)[S@@](=O)/N=C/1\CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl D435650 CC(C)(C)[S@@](=O)/N=C/1\CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435651 COC(=O)Cc1c(cccc1Cl)Cl D435655 c1ccc(c(c1)C=O)Nc2c(cccc2Cl)Cl D435660 c1cc(ccc1C#N)Nc2nc(cc(n2)Cl)Cl D435665 c1cc(ccc1C#N)Nc2n[13c]([13cH][13c](n2)Cl)Cl D435667 c1ccc(c(c1)C(=O)O)Nc2c(cccc2Cl)Cl D435670 c1cc(sc1)C(=O)c2ccc(c(c2Cl)Cl)O D435675 c1cc(c(cc1Cl)Cl)OCC(=O)O D435680 [13cH]1[13cH][13c]([13c]([13cH][13c]1Cl)Cl)OCC(=O)O D435682 [2H]c1c(c(c(c(c1O[2H])Cl)[2H])Cl)[2H] D435687 CN(C)C(=O)Cc1cc(ccc1Nc2c(cccc2Cl)Cl)O D435690 CN(C)C(=O)Cc1cc(ccc1Nc2c(cccc2Cl)Cl)OC D435695 c1ccc(c(c1)CO)Nc2c(cccc2Cl)Cl D435698 CC[Si](CC)(CC)OC12c3ccccc3[C@@H](CC1O2)c4ccc(c(c4)Cl)Cl D435700 c1ccc2c(c1)C(CCC2=O)c3cccc(c3Cl)Cl D435703 c1ccc2c(c1)C(CCC2=O)c3ccc(c(c3)Cl)Cl D435705 c1ccc2c(c1)[C@@H](CCC2=O)c3ccc(c(c3)Cl)Cl D435706 c1ccc2c(c1)[C@H](CCC2=O)c3ccc(c(c3)Cl)Cl D435708 c1ccc\2c(c1)C(CC/C2=N\O)c3ccc(c(c3)Cl)Cl D435710 CC[Si](CC)(CC)OC1=CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435713 c1cc(ccc1SSc2ccc(cc2)Cl)Cl D435715 c1cc(c(c(c1)Cl)Cl)/C(=N/N=C(N)N)/C#N D435717 Cc1ccc(cc1)S(=O)(=O)OCC2COC(O2)(Cn3ccnc3)c4ccc(cc4Cl)Cl D435718 CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435720 CC(C)(C)OC(=O)N[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435725 Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)S(=O)(=O)C D435730 [2H][C@]1(CC([C@](c2c1cccc2)([2H])O)([2H])[2H])c3ccc(c(c3)Cl)Cl D435742 [2H][C@]1(CC(C(c2c1cccc2)([2H])O)([2H])[2H])c3ccc(c(c3)Cl)Cl D435743 CS(=O)(=O)OC[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Cl D435745 c1cc(c(c(c1)Cl)Cl)N2CCNCC2.Cl D435750 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cccc(c2Cl)Cl)([2H])[2H])[2H] D435752 COP(Cl)Cl D435755 c1ccc(cc1)CON=C(CCl)CCl D435758 c1[nH]c2c(n1)nc(nc2Cl)Cl D435760 Cn1c(=N)c(cc2c1nc(nc2)SC)c3c(cccc3Cl)Cl D435765 Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)SC D435770 C(C(CCl)Cl)O D435775 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)Cl)O D435777 CC(=O)/N=c\1/c(cc2cnc(nc2n1C)SC)c3c(cccc3Cl)Cl D435780 c1nc2c(n1[C@H]3[C@H](C([C@H](O3)CO)O)O)nc(nc2Cl)Cl D435785 Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)Cl D435790 c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)O D435795 [2H]c1c(n(c(n1)[2H])C([2H])([2H])C([2H])(c2ccc(cc2Cl)Cl)O)[2H] D435796 [2H]C([2H])(C([2H])(c1ccc(cc1Cl)Cl)O)n2ccnc2 D435797 C(C(CCl)O)Cl D435800 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Cl D435802 CN(C)C(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D435805 [2H]c1c(c(c(c(c1[2H])CC(=O)N(C)C)Nc2c(cccc2Cl)Cl)[2H])[2H] D435807 CN(C)/C=C(/c1[nH]ccn1)\C(=O)c2ccc(cc2Cl)Cl D435810 c1c(cncc1Cl)Cl D435815 c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O D435820 c1c(nc(cn1)Cl)Cl D435825 c1c(c(c(=O)[nH]n1)Cl)Cl D435826 c1c(c(c(=O)[15nH][15n]1)Cl)Cl D435827 c1cnc(cc1Cl)Cl D435830 c1cc(nc(c1C(=O)O)Cl)Cl D435833 c1c(ncnc1Cl)Cl D435835 c1cc([n+](c(c1)Cl)[O-])Cl D435840 c1cnc(nc1Cl)Cl D435845 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)Cl)OC(=O)C)OC(=O)C D435850 c1c(c(cc(c1Cl)Cl)N)N D435855 c1ccc2c(c1)[C@@H](CCC2O)c3ccc(c(c3)Cl)Cl D435860 c1c2c([nH]n1)nc(nc2Cl)Cl D435865 c1ccc(cc1)COC(=O)CCOP(=O)(Cl)Cl D435870 c1cc(c(c(c1)Cl)CC2CNC2)Cl D435875 CN[C@@H]1CC[C@H](c2c1cccc2)c3cccc(c3Cl)Cl.Cl D435880 c1cc(c(cc1C2CCN2)Cl)Cl.Cl D435885 c1cc(ccc1C(=O)c2cc(ccc2Cl)C(F)(F)F)Cl D435890 c1cc(c(c(c1)Cl)Cl)C2CCN2.Cl D435895 c1cc(cc(c1)n2c(=O)c(c(cn2)Cl)Cl)C(F)(F)F D435900 CC(C(=O)O)Oc1c(cccc1Cl)Cl D435905 c1c(cc(nc1Cl)Cl)C(F)(F)F D435910 c1cc(cc2c1cc(cn2)Cl)Cl D435915 c1cncc(c1Cl)Cl D435920 C(=O)c1c(nc(s1)Cl)Cl D435925 c1cc(c(cc1Cl)Cl)[C@]2(OC[C@@H](O2)CO)Cn3ccnc3 D435930 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2cc(c(c3)Cl)Cl)OC(=O)C)OC(=O)C D435935 C([C@@H](C(=O)O)N)SC=C(Cl)Cl D435940 C([C@@H](C(=O)O)N)S/C(=C/Cl)/Cl D435945 COP(=O)(OC)OC=C(Cl)Cl D435950 [2H]C([2H])([2H])OP(=O)(OC=C(Cl)Cl)OC([2H])([2H])[2H] D435952 c1ccc2c(c1)nc(c(n2)Cl)Cl D435955 Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)OC D435960 CO[13C](=O)[13c]1c(no[13c]1[13CH3])c2c(cccc2Cl)Cl D435962 CCOC(=O)c1c(onc1c2c(cccc2Cl)Cl)C D435965 Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)O D435975 c1c(c(cc(c1S(=O)(=O)N)Cl)Cl)C(=O)O D435980 c1(c(nsn1)Cl)Cl D435985 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)Cl.Cl D435990 c1ccc(c(c1)CC(=O)[O-])Nc2c(cccc2Br)Cl.[Na+] D436490 CCOC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D436495 COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D436500 c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N D436530 [13cH]1[13c]([13cH][13c]([13c]([13c]1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N D436532 CN1Cc2cc(ccc2C(C1)c3ccc(c(c3)Cl)Cl)OC D436580 [2H]C([2H])([2H])N1Cc2cc(ccc2C(C1)c3ccc(c(c3)Cl)Cl)OC.Cl D436582 Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.O.[NaH] D436650 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13c]3c(no[13c]3[13CH3])c4c(cccc4Cl)Cl)C(=O)[O-])C.O.[Na+] D436652 c1ccc(c(c1)C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)O)Cl D436690 c1cc(ccc1C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)O)Cl D436700 c1cc(ccc1C#N)C(=O)c2ccc(cc2)C#N D436880 c1c(c(c(c(c1O)C#N)C#N)O)CC(=O)NCCN2C(=O)C=CC2=O D437000 c1ccc(cc1)c2c(nc(c(n2)C#N)C#N)c3ccccc3 D437750 C(CCNCCC#N)CNCCC#N D437925 CN(C)/C=C/C(=C(C#N)C#N)OC D438000 CN(C)/[13CH]=[13CH]/[13C](=C(C#N)C#N)OC D438002 C1CCC(CC1)N=C=NC2CCCCC2 D438500 c1ccnc(c1)CC(C2CCCCC2)(C3CCCCC3)O D438850 C1CCC(CC1)C(=O)C2CCCCC2 D438870 C1CCC2(CC1)OC[C@@H]3[C@@H](O2)[C@H]4[C@@H]([C@H](O3)O)OC5(O4)CCCCC5 D439000 C1CCC(CC1)N/C(=N/C2CCCCC2)/Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl.c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O D439100 C1CCC(CC1)C2CCCC(C2=O)C3CCCCC3 D439200 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.Cl D439300 c1cc(c(c(c1)C2CCCCC2)O)C3CCCCC3 D439310 c1ccnc(c1)C=C(C2CCCCC2)C3CCCCC3 D439360 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OCC4CC4 D439370 c1ccc2c(c1)CCC(O2)C(CNCC(C3CCc4ccccc4O3)O)O D439380 CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C D439400 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C/C(=C/CO)/C)/C D439410 CCCCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)OCCN(CC)CC D439420 c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCC(=O)O)F D439440 c1cc(ccc1C2(c3ccc(cc3CO2)C#N)CCCN)Cl.Cl D439450 c1cc(ccc1C2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439476 [2H]C([2H])(C1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])C([2H])([2H])N.Cl D439477 c1cc(ccc1[C@@]2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439485 c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439486 c1c(cc(c(c1)O)O)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)O D439500 c1ccc(cc1)[C@@H](CCOc2cccc3c2cccc3)N D439510 CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N)C)O D439550 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N D439651 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N.Cl D439655 COc1cc(ccc1O)Cc2c3cc(c(cc3ccn2)O)OC D439750 c1cc2c(cc1Cn3cncn3)c(c[nH]2)CCN.Cl D439780 Cc1c2c([nH]n1)NC(=O)CN=C2c3ccccc3F D439820 c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO)N D439850 c1nc(c2[13c](n1)n([13cH][15n]2)[C@H]3CC[C@H](O3)CO)N D439852 C1[C@H]([C@H]([C@H](N1)[C@@H](CO)O)O)O.Cl D439980 C([C@@H]1[C@@H](C([C@H](N1)CO)O)O)O D440000 c1cc(c(c(c1)Cl)Cl)c2c(=O)[nH]c(=O)[nH]n2 D440400 CC(=O)N[C@H](CF)[C@@H](c1ccc(cc1)S(=O)(=O)C)O D440500 CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN)I.Cl D440750 c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCN)F D440800 [2H]C([2H])(C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl)N D440802 CCCN1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)N.Cl D440815 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)N.Cl D440817 c1cc2c(cc1CS(=O)(=O)N3CCCC3)c(c[nH]2)CCN D440830 [2H]C([2H])(c1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)C([2H])([2H])N D440832 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N)O)(C)O)C)C)C)O)(C)O D440850 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC=O)O)(C)O)C)C)C)O)(C)O D440860 C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D440890 C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D440895 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO D440950 c1[nH]c(=O)[13c]2[13c](n1)n(c[15n]2)[C@H]3CC[C@H](O3)CO D440952 C=C1C[C@H](OC1=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O D440955 C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(cc1)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O D440958 CC(CCCN)Nc1ccnc2c1ccc(c2)Cl D440960 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N D440962 Cc1c([nH]c(c1C(=O)NCCN)C)/C=C\2/c3cc(ccc3NC2=O)F.Cl D440965 [2H]C([2H])(C([2H])([2H])NC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)N.Cl D440967 c1cc(ccc1C(CN)C2(CCCCC2)O)O.Cl D440970 c1cc(ccc1C(CN)C2(CCCCC2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D440975 CC(CCCNC(=O)CO)Nc1ccnc2c1ccc(c2)Cl D440980 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NC(=O)CO D440982 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN)C3(CCCCC3)O)C(=O)OC)OC(=O)C D440985 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCNC(=O)OC(C)(C)C)c3ccc(cc3)OC D440990 c1ccnc(c1)C(CCN)c2ccc(cc2)Cl.C(=C\C(=O)O)\C(=O)O D440995 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN)c3ccc(cc3)OC.Cl D441050 [2H]C([2H])(C([2H])([2H])N1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)N.Cl D441052 C#Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OCCO)OCCO.Cl D441105 c1cc(ccc1CCNCC(c2ccc(cc2)O)C3(CCCCC3)O)O D441110 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([2H])(CNCCc2ccc(cc2)O)c3ccc(cc3)O)O)([2H])[2H])([2H])[2H])[2H] D441112 CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OCCN)/c3ccccc3 D441115 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN)/c3ccccc3 D441120 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN=[N+]=[N-])/c3ccccc3 D441125 c1ccc(cc1)C(CCN2CCC(CC2)(c3ccc(cc3)Cl)O)(c4ccccc4)C(=O)N D441135 COc1ccc(cc1)CCNCC(c2ccc(cc2)OC)C3(CCCCC3)O D441150 CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)N D441165 [2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)N)([2H])[2H])[2H] D441167 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN)/c3ccccc3 D441200 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441220 [2H]C([2H])([2H])NC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441222 CNC[C@@H]1CCCC[C@]1(c2cccc(c2)O)O D441225 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441230 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O D441235 CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OS(=O)(=O)O)O D441240 CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N.Cl D441350 [2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N.Cl D441352 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N)C)O D441450 COc1ccc(cc1)C(CN)C2(CCCCC2)O D441570 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN)c2ccc(cc2)OC)O)[2H] D441572 CNCC(c1ccc(cc1)O)C2(CCCCC2)O D441575 [2H]C([2H])([2H])NCC(c1ccc(cc1)O)C2(CCCCC2)O D441577 CNCC(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O.Cl D441585 c1cc2c(cc1CC3COC(=O)N3)c(c[nH]2)CCN D441650 [2H]C([2H])(c1c[nH]c2c1cc(cc2)CC3COC(=O)N3)C([2H])([2H])N D441652 Cc1ccc(c(c1)C(CCN)c2ccccc2)O D441750 C1C2[C@H]3[C@@H](C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)O3 D441780 C/C=C(/C(=C/C)/c1ccc(cc1)O)\c2ccc(cc2)O D441810 CCOC(CCCCOS(=O)(=O)C)OCC D441910 CCOC(CNC(=N)Nc1c(ccc2c1nsn2)Cl)OCC D441915 CCOC(CCCC=O)OCC D441925 CCOC(CCCCO)OCC D441930 CCOC(OCC)CCCCOCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 D441950 CCOP(=O)(c1ccc(cc1)C(=O)O)OCC D441960 CCOP(=O)(Cc1ccc(cc1)C(=O)O)OCC D441970 CCOP(=O)(C1(CCC=[N+]1[O-])C)OCC D442000 CCOC(=O)/C=C(/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)\OP(=O)(OCC)OCC D442050 CCOP(=O)(C1(CCC=[N+]1[O-])CCc2ccccc2)OCC D442070 CCN(CC)CCc1cccc(c1)[N+](=O)[O-] D444620 CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-] D444630 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[N+](=O)[O-])N(CC)CC D444632 CCn1c(c(c(=O)n(c1=O)CC)N=O)N D444650 CCN(CC)[C@@H](C)[C@H](c1ccccc1)O D444670 [2H]C([2H])([2H])C([2H])([2H])N([C@@H](C)[C@H](c1ccccc1)O)C([2H])([2H])C([2H])([2H])[2H] D444672 CCOC(=O)C(CCC=O)C(=O)OCC D444680 CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)c3ccccc3 D444700 CCOP(=O)([O-])OCC.[Na+] D444720 [13CH3][13CH2]OP(=O)([O-])O[13CH2][13CH3].[Na+] D444722 CCOP(=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)OCC D444750 [2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1ncnc2N)OCP(=O)(OCC)OCC D444752 CCOC(=O)c1ccccc1C(=O)OCC D444770 [2H]c1c(c(c(c(c1[2H])C(=O)OCC)C(=O)OCC)[2H])[2H] D444772 CCOC(=O)CN(CCON1C(=O)c2ccccc2C1=O)CC(=O)OCC D444775 CCOP(=O)(C/C(=C/C#N)/C)OCC D444780 CCOP(=O)(C/C(=[13CH]/[13C]#N)/C)OCC D444782 CCN(CC)C(C)C(=O)c1ccccc1.Cl D444785 [2H]C([2H])([2H])C([2H])([2H])N(C(C)C(=O)c1ccccc1)C([2H])([2H])C([2H])([2H])[2H].Cl D444787 CCCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC D444790 CCCc1[nH]c(c(n1)C(=O)OCC)C(=O)OCC D444795 CCCC(C(=O)OCC)C(=O)OCC D444805 CCOC(=O)NC(c1cccnc1)NC(=O)OCC D444850 CCN(CC)C(=O)Oc1cccc(c1)[C@H](C)N(C)C D444950 [2H]C([2H])([2H])C([2H])([2H])N(C(=O)Oc1cccc(c1)[C@H](C)N(C)C)C([2H])([2H])C([2H])([2H])[2H] D444952 CC/C(=C(/CC)\c1ccc(cc1)OC(=O)C)/c2ccc(cc2)O D445015 CCOP(=O)(C1(CCCN1)CCc2ccccc2)OCC D442090 CCCCCCCCc1ccc(cc1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C D443125 CCN(CC)Cc1cc(ccc1O)NC(=O)C D443180 [2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)NC(=O)C)C([2H])([2H])C([2H])([2H])[2H] D443182 CCOC(=O)CC(c1ccc(cc1)Cl)C(C(=O)C)C(=O)OCC D443240 [2H]c1c(c(c(c(c1C(CC(=O)OCC)C(C(=O)C)C(=O)OCC)[2H])[2H])Cl)[2H] D443242 [2H]C([2H])([2H])C([2H])([2H])N(CC#N)C([2H])([2H])C([2H])([2H])[2H] D443352 CCC.CC[CH2].CCN(CC)N(N=O)O D443500 CCN(CC)CC#CCO D443505 CCN(CC)C(c1ccccc1)C(=O)OCC D443550 [2H]C([2H])([2H])C([2H])([2H])N(C(c1ccccc1)C(=O)OCC)C([2H])([2H])C([2H])([2H])[2H] D443552 CCN(CC)CCCCNc1ncc2cc(c(nc2n1)N)c3cc(cc(c3)OC)OC D443570 CCN(CC)c1ccc(cc1)/C=N/NC(=N)N.CC(=O)O D443580 CCC(CC)C(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C D443590 CC[N+](=c1ccc-2nc3c4ccccc4c(cc3oc2c1)Oc5nc(nc(n5)Cl)Cl)CC.[Cl-] D443600 CCN(CC)CCS.Cl D443610 CCN(CC)CCOCCO D443615 [2H]C([2H])([2H])C([2H])([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])[2H] D443617 CCN(CC)CCO.Cl D443620 CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCCN(CC)CC D443625 CCOC(=O)C(C(=O)OCC)N D443645 CCN(CC)Cc1cc(ccc1O)[N+](=O)[O-] D443650 [2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)[N+](=O)[O-])C([2H])([2H])C([2H])([2H])[2H] D443652 CCN(CC)CCCCCCCCO D443655 CCN(CC)c1ccc(cc1)/C=C/C=C/C=O D443665 CCN(CC)S(F)(F)F D443670 CCn1c(cc(=O)n(c1=O)CC)N D443675 CCC(CC)C(C(=O)O)N D443720 CCC(CC)[C@@H](C(=O)O)N D443723 CCC(CC)[C@@H](C(=O)O)N D443725 CCN(CC)CCNc1cccc2c1cccc2.C(=O)(C(=O)O)O D443735 CC[NH2+]CC.CCN(CC)C(=S)[S-] D443750 [HH].CCNCC.OOP(=O)=O D443755 CCOC(=O)/N=N/C(=O)OCC D443765 CCOC(=O)C(Cc1ccccc1)C(=O)OCC D443780 CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C D443800 CCN(CC)C(=O)c1ccccc1Br D443830 CCOC(=O)C(CCCBr)C(=O)OCC D443850 CCOP(=O)(CCCBr)OCC D443860 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C(=O)OCC)C(=O)OCC D443882 CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D443900 [2H]C([2H])([2H])N1CCN(CC1)C(=O)N(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D443902 CCN(CC)C(=O)N1CC[N+](CC1)(C)[O-] D443910 CCN(CC)C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N D443920 CCN(CC)C(=O)S(=O)CC(C(=O)NCC(=O)O)NC(=O)CC(C(=O)O)N D443925 CCOC(=O)CCCCC(C(=O)OCC)C(=O)OCC D443980 CCN(CC)C(=O)c1ccc(=O)n(c1)c2ccccc2 D444015 [2H]C([2H])([2H])C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)(C(=O)OCC)C(=O)OCC D444027 CCOC(=O)C(Cc1c[nH]c2c1ccc(c2)Cl)(C(=O)OCC)NC(=O)C D444035 CCOC(=O)C(Cc1c[nH]c2c1ccc(c2)Cl)(C(=O)OCC)NC=O D444040 CCOC(=O)/C=C(\C(=O)OCC)/Cl D444050 CCOC(=O)C(C(=O)OCC)Cl D444060 CCOC(=O)C(CCCCCCOc1ccc(cc1)Cl)C(=O)OCC D444075 CCOP(=O)(OCC)Cl D444095 [2H]C([2H])([2H])C(C1CCc2c3cc(ccc3[nH]c2C1)Cl)(C(=O)OCC)C(=O)OCC D444122 CCN(CC)C(=O)CC#N D444140 [2H]C([2H])([2H])C([2H])([2H])OP(=S)(OC([2H])([2H])C([2H])([2H])[2H])Cl D444162 CCOP(=O)(CC#N)OCC D444165 CCOC(=O)C1(CCC1)C(=O)OCC D444170 [2H]C1(CC(C1(C(=O)OCC)C(=O)O2CC2)([2H])[2H])[2H] D444172 CCOC(=O)C1(CC1)C(=O)OCC D444175 CCn1c(c(c(=O)n(c1=O)CC)N)N D444180 CCOC(=O)C(C)(Cc1ccc(cc1)C(C)(C(=O)OCC)C(=O)OCC)C(=O)OCC D444200 [2H]C([2H])([2H])C(c1ccc(cc1)CC(C)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC D444202 CCOC(CP(=O)(OCC)OCC)OCC D444210 CCOP(=O)(C(F)F)OCC D444220 CCOP(N(C(C)C)C(C)C)OCC D444250 CCOP(=O)(Cc1cc(cc(c1)OC)OC)OCC D444260 CCOP(=S)(OCC)S.N D444265 [13CH3][13CH2]OP(=S)(O[13CH2][13CH3])S.N D444267 CCN(CC)C(=S)[S-].[Na+] D444270 [2H]C([2H])([2H])CN(CC([2H])([2H])[2H])C(=S)[S-].[Na+] D444272 CS(=O)(=O)OCCOCCOS(=O)(=O)C D444275 CCC(c1ccc(cc1)OCC)(C(=O)OCC)C(=O)OCC D444280 [2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)OCC)(C(=O)OCC)C(=O)OCC D444282 C(COCCO)O D444285 CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F D444290 CC(C)(C)OC(=O)CN(CCNC(=O)C(F)(F)F)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C D444295 CCOC=C(C(=O)OCC)C(=O)OCC D444300 CCOc1ccc(cc1)C(C(=O)OCC)C(=O)OCC D444320 CC(=C)C(=O)OCCOCCOC(=O)C(=C)C D444350 CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C D444380 [2H]C([2H])([2H])CC(C(=O)OCC)(C(=O)OCC)NC(=O)C D444382 CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC5(C4)OCC(CO5)(CC)CC D444390 CCOP(=O)(CCCNO)OCC D444400 CCN(CC)C(=O)[C@@]1(C[C@@H]1CO)c2ccccc2 D444410 CCOC(=O)C[C@H](C(=O)OCC)O D444415 CCO[13C](=O)[13CH2][13C](=O)OCC D444422 [2H]C([2H])([2H])C(C(=O)OCC)C(=O)OCC D444432 CCOP(=O)(C)SCC D444460 CCCC(C)(C(=O)OCC)C(=O)OCC D444505 [2H]C([2H])([2H])C(CCC)(C(=O)OCC)C(=O)OCC D444507 CCc1c([n+](cc(n1)C)[O-])CC D444525 CCOP(=O)(C1(CCCN1)C)OCC D444550 CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4OCC)C D444590 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4OC([2H])([2H])C([2H])([2H])[2H])C D444592 CCN(CC)C(=O)c1cccc2c1cccc2 D444610 CCN(CC)C(=O)Cc1cccc(c1)[N+](=O)[O-] D444615 CC/C(=C(/CC)\c1ccc(cc1)O[C@H]2[C@@H](C([C@@H]([C@H](O2)C(=O)O)O)O)O)/c3ccc(cc3)O D445020 CC/C(=C(\CC)/c1ccc(cc1)O)/c2ccc(cc2)O D445025 CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O D445026 [2H]c1cc(cc(c1O)[2H])/C(=C(/c2cc(c(c(c2)[2H])O)[2H])\C([2H])([2H])C)/C([2H])([2H])C D445027 CCc1cccc2c1[nH]c3c2C(=O)COC3(CC)CC(=O)OC D445030 CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)OC D445035 CCc1cc(cc(n1)CC)C(=S)N D445100 CCOP(=O)(OCC)S.N D445120 [13CH3][13CH2]OP(=O)(O[13CH2][13CH3])S.N D445122 CCN(CC)C(=S)Cl D445250 CCOP(=O)(COS(=O)(=O)c1ccc(cc1)C)OCC D445260 CCOC(=O)C(C(=O)OCC)NC(=O)N D445280 c1ccc(cc1)c2ccc(cc2)C3Cc4ccccc4C(C3)c5c(c6ccccc6oc5=O)O D445350 c1cc(c(cc1C=O)O)OC(F)F D446005 C#Cc1ccc(c(c1)F)F D446010 c1c(c(c(cn1)F)C(=O)O)F D446015 C[C@@H](C(=O)N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446020 C[C@@H](C(=S)N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446025 C[C@@H](C#N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446030 c1ccc(cc1)[C@H](C(=O)O)O.c1cc(c(cc1[C@@H]2C[C@H]2N)F)F D446035 c1cc(c(c(c1)F)C#N)F D446040 c1cc(c(cc1F)F)C2(CO2)Cn3cncn3 D446045 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC3CCC3)[C@H](C(=O)N)O)C2(C)C)C(C)(C)C D448647 C[C@H]([C@H](c1cccc(c1)Cl)O)NC(C)(C)C D448650 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N[C@H](C)[C@H](c1cccc(c1)Cl)O D448652 C[C@H]([C@H](c1cccc(c1)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(C)(C)C D448655 C[C@@H]([C@H](c1cccc(c1)Cl)O)NC(C)(C)C D448675 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N[C@@H](C)[C@H](c1cccc(c1)Cl)O D448677 C[C@@H]([C@H](c1cccc(c1)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(C)(C)C D448680 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@]3(C=CC(=O)C4)C D448685 c1cc(c(cc1CCC(=O)O)O)O D448700 c1cc(c(cc1CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O D448705 c1ccc(cc1)C2(CCN(CC2)CCC(C#N)(c3ccccc3)c4ccccc4)C(=O)O D445400 [2H]C([2H])(C([2H])([2H])N1CCC(CC1)(c2ccccc2)C(=O)O)C(C#N)(c3ccccc3)c4ccccc4 D445402 c1ccc2c(c1)CC(CC2c3c(c4ccccc4sc3=O)O)c5ccc(cc5)c6ccc(cc6)Br D445450 C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F D445495 C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F D445500 c1cc(c(c(c1)F)N)F D445530 c1cc(c(c(c1N)C(=O)O)F)F D445550 CN1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3c4ccc(cc4)F)C(=O)O.Cl D445600 CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C D445620 c1cc(cc(c1)Oc2c(cccn2)C(=O)Nc3ccc(cc3F)F)C(F)(F)F D445640 [2H]c1cc(c(c(c1C(F)(F)F)[2H])Oc2c(cccn2)C(=O)Nc3ccc(cc3F)F)[2H] D445642 c1ccc(c(c1)F)F D445655 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)C(=O)Nc4ccccc4 D445660 c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)[n+]5ccncc5.[Br-] D445665 c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)N5CCNCC5 D445670 C1C[C@H]([C@H](C[C@@H]1C(=O)O)F)F D445675 c1cc(c(cc1C=O)F)F D445680 [2H]C([2H])(c1c(cccc1F)F)n2cc(nn2)C(=O)OC D445687 [2H]C([2H])(c1c(cccc1F)F)N=[N+]=[N-] D445692 C1CC(CCC1C(=O)O)(F)F D445695 CC(=O)Nc1ccc2c(c1)OC(O2)(F)F D445700 c1cc(c(cc1F)C(=O)C2CCNCC2)F.Cl D445705 c1cc(c(cc1F)F)C(=O)O D445710 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4F)F D445715 C1CC(CCC1N)(F)F.Cl D445720 CC(C)(c1ccc(cc1F)F)O D445725 C=C(CO)c1ccc(cc1F)F D445730 c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)F)F)O D445735 c1c(=O)[nH]c(=O)n(c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO D445740 c1c(=O)[15nH][13c](=O)[15n](c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO D445742 c1ccc(cc1)C(=O)OC[C@H]2O[C@H]([C@@](C2OC(=O)c3ccccc3)(F)F)n4c(=O)[nH]c(=O)cc4 D445743 CC1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O D445745 CCOC(=O)c1cn2c3c(c1=O)cc(c(c3OC[C@@H]2C)F)F D445748 c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)OP(=O)(O)O D445750 c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O D445751 [2H]c1c(c(c(c(c1c2ccc(cc2F)F)[2H])C(=O)O)O)[2H] D445752 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)S)O)C)O)F)C)F D445755 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)S D445765 [2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)S D445767 c1cc(c(cc1c2ccc(c(c2)F)F)C(=O)O)O D445770 c1cc(cnc1)C(C(C(=O)O)(F)F)O D445775 c1cc(cnc1)C(C(C(=O)N)(F)F)O D445780 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3ccc(=O)[nH]c3=O)(F)F)OC(=O)c4ccccc4 D445785 c1cc(ccc1C(C(=O)O)(F)F)F D445790 c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D445795 [B-]1(n2c(ccc2C(=C3[N+]1=C(C=C3)c4cccc5c4cccc5)c6ccc(cc6)I)c7cccc8c7cccc8)(F)F D445800 c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)OS(=O)(=O)O D445805 C1CNCC1(F)F.Cl D445810 C(C(F)F)N.Cl D445815 COc1cc[n+](c(c1OC)CSc2[nH]c3ccc(cc3n2)OC(F)F)[O-] D445820 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)CO D445825 C[C@@H](C(=O)O)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D445830 [2H]C([2H])([2H])[C@H](C(=O)O)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D445832 c1cc2c(cc1OC(F)F)nc([nH]2)S D445835 C(CC(C(F)F)(C(=O)O)N)CNC(=N)N D445840 C(F)(F)(P(=O)(O)O)P(=O)(O)O D445845 c1c2c(c(c(c1F)N3C[C@@H]4CCCN[C@@H]4C3)F)n(cc(c2=O)C(=O)O)C5CC5 D445850 CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(O2)(F)F D445855 c1c(c(cc2c1OC(O2)(F)F)[N+](=O)[O-])N D445860 CC(c1ccc(cc1F)F)N D445865 c1cc(c(cc1F)F)N=C=S D445870 C[C@@H](C(=O)O)NC(=O)Cc1cc(cc(c1)F)F D445875 c1cc(c(cc1F)F)C(=O)CCC(=O)O D445880 c1cc(c(cc1F)F)C(=O)Cn2cncn2 D445885 CCOC(=O)C(CC(=C)c1ccc(cc1F)F)C(=O)OCC D445890 c1cc(c(c(c1)F)OC(F)(F)F)F D445895 C[C@@H]1[C@](OC(=O)N1)(Cn2cncn2)c3ccc(cc3F)F D445900 [2H]C([2H])([2H])[C@H]1[C@](OC(=O)N1)(Cn2cncn2)c3ccc(cc3F)F D445902 c1cc(oc1C=O)C=O D445905 CC1=C(COC1=O)c2ccc(cc2F)F D445910 C[C@H](C(=O)N1[C@H](COC1=O)Cc2ccccc2)[C@]3(CO3)c4ccc(cc4F)F D445915 [2H]C([2H])([2H])[C@@H](C(=O)N1[C@H](COC1=O)Cc2ccccc2)[C@]3(CO3)c4ccc(cc4F)F D445917 c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)O D445920 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C D445925 C[C@]12C(=O)OC[C@]1(O2)c3ccc(cc3F)F D445930 c1cc(c(cc1C2CCCCCN2)F)F.Cl D445935 CC(C)C1CCC(NCC1)c2ccc(c(c2)F)F.Cl D445940 [2H]C([2H])(c1c(cccc1F)F)O D445947 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](C[C@@H](OC2C)O[C@H]3[C@@H](C[C@@H](OC3C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)O)O)O)O D445950 c1cc(c(cc1F)F)CC2CNC2 D445955 c1cc(c(cc1CC2CNC2)F)F D445960 CC1CCC(NCC1)c2ccc(c(c2)F)F.Cl D445965 c1cc(c(cc1C2CNC2)F)F D445970 c1c(cc(cc1F)F)C2CNC2 D445975 C1C(CC1(F)F)N.Cl D445980 CCOC(=O)c1c(=O)c2cc(c(cc2n3c1SC3C)F)F D445985 CC1[C@H]([C@@H](C[C@@H](O1)O)O)O D445990 C(CNC(=O)CN)NC(=O)CN D445995 C(CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)CN(CC(=O)O)CC(=O)O D446000 c1cc(ccc1C#N)C(F)F D446050 c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)F)C(=O)O)F D446055 C[C@H]1C(=O)O[C@@]1(Cn2cncn2)c3ccc(cc3F)F D446060 c1cc(c(cc1F)F)C(Cn2cncn2)(CO)O D446080 CS(=O)(=O)SCC(CSS(=O)(=O)C)(F)F D446100 CC(CCl)(F)F D446150 C(CC(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)P(=O)(N)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N D446250 [2H]C([2H])(CN(CC([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)P(=O)(N)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N D446252 COCCOCCOC D446300 [2H]C([2H])([2H])OCCOCCOC([2H])([2H])[2H] D446302 C1[C@H]([C@@H](C(C([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O D446375 C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)NC(=O)[C@H](CCN)O)O)NC(=O)[C@H](CCN)O D446380 C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CNC(=O)[C@H](CCN)O)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O D446385 CCCCCCCCCCCCCCCC[n+]1c2ccccc2oc1/C=C/C=C\3/N(c4ccccc4O3)CCCCCCCCCCCCCCCC.[I-] D446390 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(O5)O)C D446395 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@]([2H])(C([2H])([2H])[2H])O D446402 C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)O.[Na+] D446405 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)[C@]([2H])(C([2H])([2H])[2H])O.[Na+] D446407 C1COC=C1 D446410 CC(C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O D446420 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])(C([2H])([2H])[2H])O D446422 C[C@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)O.[Na+] D446425 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)C([2H])(C([2H])([2H])[2H])O.[Na+] D446427 C[C@H](Cc1cc2ccn(c2c(c1)C(=O)N)CCCO)NCCOc3ccccc3OCC(F)(F)F D446450 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](C[C@@H](OC2C)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)O)O)O D446500 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O D446505 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4C(OC(CC4O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C)C)C)O)O D446510 C1CNC(=O)C=C1 D446515 C1CCC2(CC1)O[C@@H]3C=CC(=O)[C@@H]3O2 D446520 c1ccc2c(c1)C(c3cc(ccc3S2)C(F)(F)F)(C(CCN4CCN(CC4)CCO)O)O D446525 CC(C)OC1[C@@H]2[C@H](C(=O)O1)OC3(O2)CCCCC3 D446530 C(C(=O)O)(I)I D446535 CC(C)N(CCC(c1ccccc1)c2ccccc2)C(C)C D446540 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2ccccc2)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D446542 C(#N)C(I)I D446560 Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCO D446565 [2H]C([2H])([2H])n1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCO D446567 CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O D446575 [2H]C1=C(C(OC1=O)([2H])[2H])[C@H]2CC[C@]3([C@@]2([C@@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)C)O)C)O D446577 c1ccc\2c(c1)CC(=O)c3ccccc3/C2=C\CCO D446580 CC(Cc1cc(c(cc1OC)Br)OC)N D446585 [2H]C([2H])([2H])Oc1cc(c(cc1Br)OC([2H])([2H])[2H])CC(C)N D446587 Cc1cc(c(cc1OC)CC(C)N)OC.Cl D446590 [2H]C([2H])([2H])Oc1cc(c(cc1CC(C)N)OC([2H])([2H])[2H])C.Cl D446592 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CC([C@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)(OC)OC)C(C)C D446595 COc1cc2c(cc1OC)nc(nc2N)N D446600 CC(Cc1cc(c(cc1OC)Cl)OC)N.Cl D446605 [2H]C([2H])([2H])Oc1cc(c(cc1Cl)OC([2H])([2H])[2H])CC(C)N.Cl D446607 Cc1cc(c(c(c1O)OC)OC)O D446610 [2H]C([2H])([2H])Oc1cc(c(cc1I)OC([2H])([2H])[2H])CC(C)N D446622 CN(C)C/C=C/C(=O)O.Cl D446630 [2H]C([2H])([2H])N(C/C=C/C(=O)O)C([2H])([2H])[2H].Cl D446632 CN(C)C/C=C/C(=O)OC D446635 [2H]C([2H])([2H])N(C/C=C/C(=O)OC)C([2H])([2H])[2H] D446637 CC(CC(c1ccccc1)(c2ccccc2)C(=O)O)N(C)C D446640 Cc1cccc(c1NC(=O)C)C D446680 [2H]C([2H])([2H])C(=O)Nc1c(cccc1C)C D446682 Cc1cc([nH]c1C=O)C D446690 CNC(=S)NC D446750 [2H]C([2H])([2H])NC(=S)NC([2H])([2H])[2H] D446752 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCCOCCN(CCOCCOCC1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D447502 C1CCC(CC1)C2(CCCCC2)C(=O)OCCN3CCCCC3.[Cl] D448200 CC(C)(C)OC(=O)N1CCC(C1)C(C#N)(c2ccccc2)c3ccccc3 D448300 c1cc2cccc3c2c(c1)CC3 D448330 c1cc2[13c]3[13c](c1)[13cH][13cH][13cH][13c]3CC2 D448332 [2H]C([2H])([2H])[C@@H]([C@@H](c1cnc2c(n1)C(=O)NC(N2)NC(=O)C)OC(=O)C)OC(=O)C D448347 C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)O)C D448360 [2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@@H]1O)O[C@@](CC3)(OO4)C)C D448362 [2H][C@]1([C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)[13C]([2H])([2H])[2H])O D448363 C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C D448370 C[C@@H]1CC[C@H]2[C@H](C(O[C@@H]([C@@]23[C@H]1CCO3)OC(=O)C)O)C D448375 [2H]C([2H])([2H])[C@H]1[C@@H]2CC[C@H]([C@H]3[C@@]2([C@H](OC1O)OC(=O)C)OCC3)C D448377 CCN1c2ccccc2C(C1/C=C/C=C/3\C(c4ccccc4N3CC)(C)C)(C)C D448380 CS(=O)(=O)O.c1ccc2c(c1)c3c([nH]2)C(=O)NCCC3=O D448390 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Cl)O)C)C)OC(=O)CC D448400 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C=CC4=CC(=O)CC[C@@]43C)Cl)O)C)C)OC(=O)CC D448405 c1ccc2c(c1)ccc3c2cc4cccc5c4c3CC5O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2CC5O D448410 [2H][13C]1(c2c3ccccc3cc4c2c(cc5c4cccc5)[13C]1([2H])O[2H])[2H].[2H][13C]1(c2c3ccc4ccccc4c3cc5c2c(ccc5)[13C]1([2H])O[2H])[2H] D448412 CC(=O)O/N=C/1\CCCc2c1cc3ccc4cccc5c4c3c2cc5 D448415 c1cc2ccc3cc\4c(c5c3c2c(c1)cc5)CCC/C4=N\O D448425 c1cc2c(cc1CN)CCO2.Cl D448450 c1ccc2c(c1)CCCC(=O)N2 D448475 c1ccc2c(c1)CCc3c(ccs3)C2=O D448480 c1cc2c(cc1CC(=O)O)CCO2 D448485 [2H]C([2H])(c1ccc2c(c1)CCO2)C(=O)O D448487 c1cc2c(cc1C=O)CCO2 D448490 COC(=O)Cc1ccc2c(c1)CCO2 D448495 [2H]C([2H])(c1ccc2c(c1)CCO2)C(=O)OC D448497 [2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])O D448502 [2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])N3CCC(C3)C(C#N)(c4ccccc4)c5ccccc5 D448507 C[C@H](c1ccc2c(c1)NCCO2)N D448510 c1cc(c2c(c1)OCC2)C(=O)O D448520 c1cc(c2c(c1)OCC2)CO D448525 c1ccc(cc1)CNc2c3ccccc3nc4c2C(=O)CCC4 D448530 C[C@@H]([C@@H](C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O D448550 [2H]C([2H])([2H])[C@@H]([C@@H](C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O D448552 CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C D448570 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C D448572 c1cc2c(nc1)/C(=N/Nc3ccc(cc3)Br)/CCC(=O)N2 D448600 COCOc1cc2c(cc1OC)CCC2=O D448610 COCOc1cc2c(cc1OC)C(=O)CC2 D448615 CC(c1n[nH]c(=O)n1CCOc2ccccc2)OCOC D448625 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C D448640 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C2(C)C)C(C)(C)C D448642 c1cc(c(cc1CCC(=O)[O-])OS(=O)(=O)[O-])O.[Na+].[Na+] D448710 CC(C)CCCCCCC(=O)NCc1ccc(c(c1)OC)O D448750 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCCCCC(C)C D448752 c1ccc2c(c1)CCc3ccccc3N2C(=O)N D448765 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O D448780 c1ccc(cc1)CCC(=O)NCCCCCC(=O)O D448800 c1ccc(cc1)CCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O D448810 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C)O D448820 CN1CCC[C@H]1CC(CC2CCCN2C)O.Cl D448830 [2H]C([2H])([2H])N1CCC[C@@H]1CC(C[C@@H]2CCCN2C([2H])([2H])[2H])O D448832 CC1(Nc2c(ncn2[C@H]3[C@@H]4C([C@H](O3)CO)OC(O4)(C)C)C(=O)N1)C D448835 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C)O D448840 [HH].CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@@H]1C5)O)OC.OOP(=O)=O D448850 [HH].[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@@H]1C5)O)OC([2H])([2H])[2H].OOP(=O)=O D448852 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)O)C)O D448855 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O D448860 CCCC[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O D448865 c1ccc2c(c1)CCc3ccccc3N2 D448870 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C D448875 C[C@]12CCC(C[C@H]1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)OS(=O)(=O)O D448880 c1cc2c3c(c1)c(=O)c4cc(ccc4c3c5cccc6c5c2c7ccc(cc7c6=O)OCCCC(=O)ON8C(=O)CCC8=O)OCCCC(=O)ON9C(=O)CCC9=O D448885 CC(=O)CCCCOc1c2c(ncn2C)n(c(=O)n1)C D448890 CC1(C=C(C(N1O)(C)C)CON2C(=O)c3ccccc3C2=O)C D448895 COc1cc(ccc1O)CCC(=O)O D448900 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)CCC(=O)OC)C(=O)OC)OC(=O)C D448905 COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448910 COc1cc(ccc1OS(=O)(=O)[O-])CCC(=O)[O-].[Na+].[Na+] D448915 c1cc2c(cc1O)c3c([nH]2)cc4c5cc(ccc5[nH]c4c3C=O)O D448920 c1cc2c3c(cc4c5cc(ccc5[nH]c4c3C=O)O)[nH]c2c(c1)O D448925 c1cc2c3cc4c(c5cc(ccc5[nH]4)O)c(c3[nH]c2c(c1)O)C=O D448930 c1cc2c(cc1Cl)[C@](OC(=O)N2)(/C=C/C3CC3)C(F)(F)F D448935 COc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448940 [2H]C([2H])([2H])Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448942 COc1ccc(cc1OS(=O)(=O)O)CCC(=O)O D448945 [2H]C([2H])([2H])Oc1ccc(cc1OS(=O)(=O)O)CCC(=O)O D448947 CCC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)\C D448950 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@H]2O)O D448955 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@H]2O)O D448960 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+] D448965 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@H]2O)OS(=O)(=O)[O-].[Na+] D448966 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+] D448970 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(CCC(=O)N4)C D448975 CC1(c2c3ccccc3ccc2N(C1/C=C/CC/C=C/C=C/4\C(c5c6ccccc6ccc5N4CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+].[Na+] D448980 c1cc(oc1)CS(=O)CC(=O)NCCCCOc2cc(ccn2)CN3CCCCC3 D448985 CN(C)CCCC1(c2ccccc2CSc3c1cccc3)O D448990 COc1cc(ccc1O)CCC(=O)OC D448995 c1cc(ccc1C2COc3cc(ccc3C2=O)O)O D449000 CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)O D449005 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C D449010 COc1cc2c(cc1OC)nc(c(=O)[nH]2)CCC(=O)O D449015 CCC(=O)NCC[C@@H]1CCc2c1c(c(cc2)O)CCO D449020 COc1ccc2c(c1)CCC(=C2c3ccc(cc3)OCc4ccccc4)c5ccccc5 D449025 c1cc(ccc1C#N)Nc2nc(cc(n2)O)O D449030 c1cc(ccc1C#N)Nc2n[13c]([13cH][13c](n2)O)O D449032 c1cc2c(cc1F)CC[C@@H](O2)[C@H](CO)O D449035 c1cc2c(cc1F)CC[C@H](O2)[C@H](CO)O D449036 c1cc2c(cc1F)CC[C@H](O2)[C@@H](CO)O D449038 c1cc2c(cc1F)CC[C@@H](O2)[C@@H](CO)O D449039 c1ccc2c(c1)[C@@H](C(c3ccccc3N2C(=O)N)O)O D449040 CNCCCC1c2ccccc2C(C(c3c1cccc3)O)O D449045 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O D449050 [2H]C([2H])([2H])C(C(=O)OC(C)C)(C([2H])([2H])[2H])Oc1ccc(cc1)C(c2ccc(cc2)Cl)O D449052 CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)OC D449055 CC(C)[C@@H]1C(=N[C@@H](C(=N1)OC)C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)OC D449056 c1cc(ccc1n2cn[nH]c2=O)N3CCN(CC3)c4ccc(cc4)O D449060 Cn1c2cc(c(cc2nc(c1=O)CCC(=O)O)OC)OC D449065 [2H]C([2H])(c1ccc(cc1)N)C([2H])([2H])N2CCc3cc(c(cc3C2)OC)OC D449072 Cn1c2cc(c(cc2nc(c1=O)CCC(=O)OC)OC)OC D449075 C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.CS(=O)(=O)O D449080 [2H][13C]([2H])([2H])N1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)Cc8ccccc8)C.CS(=O)(=O)O D449082 CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=CCC3(C)C)OS(=O)(=O)C(F)(F)F D449085 CC.Cc1ccc2c(c1)CC3C=CC=CC3C2 D449090 COc1cc2c(cc1OC)C(C(C2)CC3CCN(CC3)Cc4ccccc4)O D449095 CCN(CC)C(=O)[C@]1(CC1CN2C(=O)c3ccccc3C2=O)c4ccccc4 D449100 [2H]C([2H])([2H])C([2H])([2H])N(C(=O)[C@]1(C[C@@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4)C([2H])([2H])C([2H])([2H])[2H] D449102 CN(CCO)C(=O)C1c2ccccc2Cc3cccnc3N1 D449105 CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OCCC#N)C)C D449110 CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)O)C)C D449115 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)O)C)C D449117 CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)c2cccc(c2)[N+](=O)[O-])C(=O)OC D449118 CC1=C([C@H](C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449120 CC1=C([C@@H](C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449121 CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449123 c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O D449125 CCOC(=O)c1cc2c([nH]1)-c3c(cc(nc3C(C2=O)(OC)OC)C(=O)OC)C(=O)OC D449128 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@@H]2O)O D449130 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4CC=C3[C@@H]2CC1([2H])[2H])O)C)O D449132 c1ccc2c(c1)CC(c3ccccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O.[Na+] D449133 c1ccc2c(c1)CC(c3ccccc3N2C(=O)N)O D449135 [2H]c1c(c(c2c(c1[2H])CC(c3ccccc3N2C(=O)N)O)[2H])[2H] D449137 [2H]C1(c2ccccc2N(c3ccccc3C1([2H])O)C(=O)N)[2H] D449138 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O D449140 CCOC(=O)C1=C(c2c(cccn2)NC(=O)C1)O D449143 c1cc2c(cc1O)NC(=O)CC2 D449145 c1ccc2c(c1)c(c[nH]2)/C=C\3/c4cc(ccc4NC3=O)S(=O)(=O)N D449148 CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CO D449150 COC1=NCCN1 D449155 [2H]C1(C(N=C(N1)OC)([2H])[2H])[2H] D449157 c1ccc2c(c1)CC[C@H]2Nc3c4c(ncn3)n(cn4)[C@H]5C([C@H]([C@H](O5)CO)O)O D449160 Cc1ccc(cc1)S(=O)(=O)O/N=C/2\CCCc3c2cc(cc3)OC D449165 CC1(C(C(=NO1)c2ccccc2)c3ccccc3)O D449170 [13CH3][13C]1(C(C(=[15N]O1)c2ccccc2)c3ccccc3)O D449172 [2H]C([2H])([2H])N1CCC=C1c2cccnc2 D449174 CN1CCC=C1c2cccnc2 D449175 CC(c1cccc(c1)C(c2ccccc2)O)C(=O)O D449176 [2H][13C]([2H])([2H])C(c1cccc(c1)C(c2ccccc2)O)C(=O)O D449177 CC(c1cccc(c1)C(c2ccccc2)O)C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)O)O)O)O D449180 Cc1cc2c(s1)Nc3ccccc3NC2=O D449185 Cc1cc2c(s1)Nc3ccccc3NC2=S D449188 c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 D449190 c1cc2c3c(c1)[nH]c(=O)n3CCCC2=O D449195 COc1cccc2c1[nH]c3c(c2=O)cccc3C(=O)O D449200 CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)C D449205 CCCCCCCCCC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C D449210 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)CCc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)[O-])O.[Na+] D449215 CS(=O)(=O)c1ccc(cc1)[C@@H]2[C@H](N=C(O2)c3ccccc3)CO D449220 [2H][C@]1([C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C)C([2H])([2H])O D449222 CCOC(=O)[C@H]1[C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C D449225 c1cc2c(cc1S(=O)(=O)N)CC(=O)N2 D449230 CC(C)(c1[nH]c(=O)c(c(n1)C(=O)OC)O)NC(=O)OCc2ccccc2 D449235 CC(C)(c1nc(c(c(=O)n1C)O)C(=O)OC)NC(=O)OCc2ccccc2 D449240 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)OCc2ccccc2)C(=O)OC)O D449242 [2H]c1c(c(c(c(c1[2H])[2H])N2c3ccccc3CC2=O)[2H])[2H] D449247 c1ccc(cc1)CO[C@H]2CCC(CC2)[n@@]3nnnc3CCCCOc4cc5c(cc4)NC(=O)CC5 D449250 C=CCOC1=CCCN(C1)C(=O)OCc2ccccc2 D449255 CN1c2ccccc2C(c3ccccc3S1(=O)=O)O D449260 CN1CC2=C(C1=O)c3ccccc3Oc4c2cc(cc4)Cl D449270 CC[C@@]1(C[C@H](C2([C@@H](CCC3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CO)C D449275 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C D449280 c1ccc(cc1)COC(=O)N2CCCC=C2 D449285 CCOC(=O)C1c2ccccc2Cc3cccnc3N1 D449290 CN1c2ccccc2-c3ccccc3C(C1=O)NC(=O)[C@@H](c4ccccc4)O D449295 c1cc(cnc1)C(=O)C2CCOC2=O D449300 CCC(=O)NC/C=C/1\CCc2c1cc(cc2)OC D449305 CCC(=O)NCCC1CCc2c1cc(cc2)OC D449310 CCC(=O)NCC[C@@H]1CCc2c1cc(cc2)OC D449315 COC(=O)Nc1[nH]c2ccc(cc2n1)C(c3ccccc3)O D449320 COc1ccc2c(c1)/C(=C/CN)/CC2 D449325 COCCCN1C[C@H](c2ccsc2S1(=O)=O)O D449330 CN1c2ccccc2-c3ccccc3CC1=O D449335 CCCCCCCCc1ccc(cc1)CCC2(COC(=N2)C)CO D449340 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CCO)/C D449350 CC(=O)OC(C1(C=CC(O1)[N+](=O)[O-])OC(=O)C)OC(=O)C D449355 [2H]C1=C(C(OC1([2H])[N+](=O)[O-])(C(OC(=O)C)OC(=O)C)OC(=O)C)[2H] D449357 CNC\1=NCCS/C1=N\OCc2ccc(o2)CN(C)C D449360 CC1=N[C@@H]2[C@H](O1)C=C(O[C@H]2[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC D449365 COc1ccc2c(c1)/C(=C/C#N)/CC2 D449370 COc1ccc2c(c1)/C(=C\C#N)/CC2 D449371 c1cc2c(c(c1)O)CC=CC2 D449375 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C)O D449380 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C)O D449382 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@H]3CCC(=O)C4)C)O D449385 C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(C)CC(=O)OCCCCCCCCC(=O)O)[C@H](C)O D449390 Cc1c(c2c(c(c1O)C)C(C(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C D449395 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O D449400 c1ccc2c(c1)cccc2C3CCC(=O)O3 D449405 CO[C@@H]1C2=CC(=O)O[C@H]2[C@H](CO1)O D449410 c1ccc2c(c1)c3c([nH]2)cc4c5cc(ccc5[nH]c4c3C=O)O D449415 c1ccc2c(c1)c3cc4c(c5cc(ccc5[nH]4)O)c(c3[nH]2)C=O D449420 c1ccc(cc1)c2c3ccccc3nc4c2C(=O)CCC4 D449425 c1cc2c([nH]c(=O)o2)nc1 D449430 CNC\1=NCCS/C1=N/O.Cl D449435 [2H]C([2H])([2H])NC\1=NCCS/C1=N/O.Cl D449437 CC1CNC(=O)NC1=O D449440 CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)n(n1)C D449445 c1ccc2c(c1)c(=O)nc([nH]2)CCC(=O)O D449450 c1ccc2c(c1)[nH]c(=O)n2CCCn3c4cc(ccc4n(c3=O)C5CCN(CC5)CCCn6c7ccccc7[nH]c6=O)Cl D449455 CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C.[Cl-] D449460 c1ccc2c(c1)[nH]c(=O)n2CCCn3c4ccccc4n(c3=O)CCCN5CCC(CC5)n6c7ccc(cc7[nH]c6=O)Cl D449465 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@H]2O)O D449470 COc1ccc2c3c1cccc3C(CC2)c4ccccc4C(=O)O D449475 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@H]2O)OS(=O)(=O)[O-].[Na+] D449480 COc1ccc(c2c1CC=CC2)OC D449485 CC1CSC(C1=O)C D449490 CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C D449495 CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O D449500 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@]4([C@@H]3CCC(=O)C4)OC D449505 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@H]3CCC(=O)C4 D449510 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)CC[C@]34C D449515 COc1cccc(c1)CC2CC(=O)OC2 D449520 CC(C)CC(=O)OC1C(c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C D449525 COc1cc(ccc1OCc2ccccc2)CC3CC(=O)OC3 D449530 C[C@H]1C([C@@H]([C@@H](O1)O[C@H]2[C@H](C(C([C@@H](C2O)O)NC(=N)N)O)NC(=N)N)OC3[C@H](C([C@@H]([C@@H](O3)CO)O)O)NC)(CO)O D449535 c1cc2c(cc1OCCCCO)NC(=O)CC2 D449540 c1ccc(cc1)NCCNC(=O)CCN2C(=O)C=CC2=O D449545 C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O D449550 CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(c4c(cccc4NC3=O)C2=C1)O)C D449560 COc1cc2c(c3c1cccc3)CCC2=O D449565 c1ccc2c(c1)C(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO D449570 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCC2c3ccccc3Sc4c2cc(cc4)C(F)(F)F D449572 C[C@@]1(C(=O)N2[C@H](C(=O)N[C@H]([C@@]2(O1)O)CCC(=O)O)Cc3ccccc3)NC(=O)[C@@H]4CC5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C D449580 COc1ccc2c3c1cccc3C(=O)CC2 D449585 COc1ccc2c3c1cccc3C4(CC2)c5ccccc5C(=O)O4 D449590 Cc1cn(c(c(c1=O)C)C(=O)O)c2[nH]c3cc(ccc3n2)OC D449595 CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C D449600 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)OC(=O)CCCCCCCCCC D449602 C1CN=C2C=CC=CN2C1.Br D449630 CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@H]1O)OC)OC D449650 [2H]C([2H])([2H])C(C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@H]1O)OC)OC)C([2H])([2H])[2H] D449652 CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1O)OC)OC D449655 [2H]C([2H])([2H])C(C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1O)OC)OC)C([2H])([2H])[2H] D449657 C1CCOC(C1)O[C@H]2CCOC2=O D449800 B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C D449810 CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc4c3c(c(cc4)OC)O D449820 CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C)OC D449840 CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C(=O)OC)OC D449850 C[C@H]1C=Cc2cc(ccc2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] D449860 c1csc2c1C=NCC2 D449880 c1ccc2c(c1)CC[C@@H]2Nc3c4cc[nH]c4ncn3 D449885 COc1ccc(cc1)C2OC[C@H]3C[C@@H]([C@H]([C@H]3O2)O)n4ccc5c4ncnc5N[C@H]6CCc7c6cccc7 D449890 CC1=CC(N=C2C1=CC(=O)C=C2)(C)C D449900 CCCc1ccc2c(c1)OCO2 D449920 c1ccc(cc1)[C@@H]2N3[C@H](CO2)C=CC3=O D449950 C1CNC(=O)NC1=O D449990 CCC1C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O D450020 CC(=O)c1ccc(cc1O)O D450085 CC(=O)c1cccc(c1O)O D450090 CC(=O)c1c(cccc1O)O D450095 CC(=O)c1cc(cc(c1)O)O D450100 CC(Cc1ccc(c(c1)O)O)N.Cl D450110 CCOC(Cc1c(nc(nc1O)O)N)OCC D450125 CC(C)c1ccc(c(c1)C(C)C)O D455290 CC(C)OP(=O)(OC(C)C)F D455300 CC(C)CC(CC(C)C)O D455450 [13CH3]C([13CH3])CC(CC([13CH3])[13CH3])O D455452 CC(C)CC(=O)CC(C)C D455475 [13CH3]C([13CH3])CC(=O)CC([13CH3])[13CH3] D455477 CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D455750 CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CN=[N+]=[N-])C D455825 CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)C[N+](=O)[O-])C D456000 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C D456285 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C D456400 [2H]C([2H])([2H])C1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C([2H])([2H])[2H])C([2H])([2H])[2H])CO)C([2H])([2H])[2H] D456402 CC1(O[C@@H]2[C@H](O1)C3[C@H](OC2CO)OC(O3)(C)C)C D457500 CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D458000 CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=S)SC)C D458020 CC1(OCC(O1)[C@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D458040 CC1(OC[C@H](O1)[C@@H]2C3[C@H](C(=O)O2)OC(O3)(C)C)C D458500 CCCCCCCCCCCC/C=C\[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O D458600 CC1(O[C@H]2[C@H](C3[C@H](C(C2O1)O)OC(O3)(C)C)O)C D458775 CC1(OC[C@@H](O1)[C@H]([C@H]2[C@H](OC(O2)(C)C)CO)O)C D458950 CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C D458955 CC1(OCC(O1)[C@@H]2C3[C@H]([C@H](O2)O)OC(O3)(C)C)C D459000 CC1(OC[C@@H]2[C@@H](C3[C@@H](C(O2)O1)OC(O3)(C)C)O)C D459050 CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O D459100 CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)OS(=O)(=O)C D459120 CC1(OCC(O1)[C@@H]2C(=O)[C@H]3[C@H](O2)OC(O3)(C)C)C D459250 CC1(OC[C@H]2C(O1)[C@H]([C@]3(O2)COC(O3)(C)C)O)C D459275 CC1(OC[C@H]2C(O1)[C@@H]3[C@@](O2)(OC(O3)(C)C)CO)C D459285 c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O D450150 [2H]c1c(c2c(c(c1[2H])O)C(=O)c3c(c(c(c(c3O)[2H])[2H])[2H])C2=O)[2H] D450152 c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O D450355 c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O D450360 c1cc(c(cc1O)O)C=O D450995 c1cc(c(cc1C=O)O)O D451000 c1cc(c(cc1O)C=O)O D451005 c1cc(c(c(c1)O)O)C=O D451010 c1ccc2cc3c(cc2c1)C(=O)C(C3=O)(O)O.O D451125 c1cc(c(c(c1)O)O)C(=O)O D451650 [2H]c1c(c(c(c(c1O)[2H])C(=O)O)O)[2H] D451657 c1cc(c(cc1C(=O)O)O)O D451680 c1cc(c(cc1C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O D451685 c1cc(c(cc1C(=O)[O-])OS(=O)(=O)[O-])O.[Na+].[Na+] D451690 COC(=O)c1ccc(c(c1)O)O D451695 c1c(cc(cc1O)O)C(=O)O D451700 c1c(cc(cc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)O D451705 c1c(cc(cc1O)OS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] D451710 COC(=O)c1cc(cc(c1)O)O D451715 COC(=O)c1cc(cc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O D451725 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(cc(c2)O)C(=O)OC)C(=O)OC)OC(=O)C D451730 c1ccc(c(c1)C(=O)c2ccc(cc2O)O)C(=O)O D451750 [2H]c1c(c(c(c(c1[2H])C(=O)c2ccc(cc2O)O)C(=O)O)[2H])[2H] D451752 COC(=O)c1ccc(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O D451770 c1c(cc(cc1O)O)CO D451900 c1cc(c(cc1NCc2cc(ccc2O)O)C(=O)O)O D452000 CC(C)n1cnc2c1nc(nc2N(Cc3ccccc3O)Cc4ccccc4O)NCCCO D452150 c1ccc(c(c1)/C=N/NC(=O)c2ccc(c(c2)O)O)O D452180 C/C(=C\COc1c2ccc(=O)oc2cc3c1cco3)/CCC(C(C)(C)O)O D452230 c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)C(C4(CCCC4)C(C3=O)O)O D452260 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)C(C2(CCCC2)C(C1=O)O)O)C([2H])([2H])N3CCN(CC3)c4ncccn4 D452262 c1ccc2c(c1)ncc(n2)CCC(CO)O D452300 c1ccc2c(c1)C(=C(c3ccccc3N2C(=O)N)O)O D452315 c1cc(ccc1C#N)Nc2nc(c(c(n2)Oc3c(cc(cc3CO)C#N)CO)Br)N D452330 CC(=O)c1cc(c(cc1O)O)OC D452340 c1cc(ccc1CO)CO D452345 [2H]c1c(c(c(c(c1CO)[2H])[2H])CO)[2H] D452347 Cc1cc([nH]c(=O)c1O)O.Cl D452355 CCCC(=O)c1ccc(c(c1)O)O D452360 COc1cc(c(cc1O)O)C(=O)C(c2ccc(cc2)O)C(OC)OC D452380 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C D452410 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C D452450 CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O D452465 CC(C)CC[C@@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O D452470 c1cc(c(cc1/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O D452480 c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O)O D452500 c1cc(ccc1CC(C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O D452520 c1c(c2cc(c(cc2oc1=O)O)O)CC(=O)O D452685 CCC(C)(C)C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CCC3C[C@H](CC(=O)O3)O)C)O)O)C D452690 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)O)C)C([2H])([2H])[2H] D452692 CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H](C2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O)O)C.[Na+] D452695 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D452700 [2H]C([2H])([2H])NCCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccc(cc3)O D452702 COc1ccc(c(c1O)c2c(ccc(c2O)OC)C(=O)OC)C(=O)OC D452705 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O D452710 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)NN4)O)C D452720 c1ccc2c(c1)C=C[C@@H]([C@H]2O)O D452735 CC(C)C(=O)C(C(=O)Nc1ccccc1)(C(c2ccccc2)(C(=O)c3ccc(cc3)F)O)O D452740 CCOC(=O)c1c(c(c(nc1O)C)C)O D452745 c1ccc2c(c1)-c3ccccc3[C@@H]([C@@H]2O)O D452750 c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)O D452755 CC(c1ccc(c(c1)F)c2ccc(c(c2)O)O)C(=O)O D452760 CC(c1ccc(c(c1)F)c2ccc(c(c2)OC)OC)C(=O)O D452770 c1c(cc(c2c1C(OC(=O)N2)(C#CC3(CC3)O)C(F)(F)F)O)Cl D452800 [2H]C1(C(C1(C#CC2(c3cc(cc(c3NC(=O)O2)O)Cl)C(F)(F)F)O)([2H])[2H])[2H] D452802 c1ccc2c(c1)ccc3c2[C@@H]4[C@@H](O4)[C@H]([C@@H]3O)O D452810 C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1C(C[C@@H]2O)O)O)O D452815 c1cn2c(cc(nc2n1)O)O D452820 c1c2cc([nH]c2cc(c1O)O)C(=O)O D452825 C1[C@H]([C@@H]([C@H](C1=O)CCC(=O)O)CCC(C(CCCC(=O)O)(F)F)O)O D452835 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC(C(C)(C)O)O)\C(=O)O)OC(=O)C)C)O)C D452840 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] D452850 C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)O)O D452870 C1C(C=CS1(=O)=O)N.Br D452885 C(C[C@@H](C(=O)O)N)[C@@H](CNC[C@H](CC[C@@H](C(=O)O)N)O)O D452900 C(C[C@@H](C(=O)O)N)[C@H](CNC[C@@H](CC[C@@H](C(=O)O)N)O)O D452905 C(C[C@@H](C(=O)O)N)[C@H](CNC[C@H](CC[C@@H](C(=O)O)N)O)O D452910 c1cc(c(cc1C(C(=O)O)O)O)O D453000 [2H]c1c(c(c(c(c1C(C(=O)O)O)[2H])O)O)[2H] D453002 CC(Cc1ccc(c(c1)O)O)NC.Cl D453070 [2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)O)O.Cl D453072 C[C@](CO)(C(=O)N(C)OC)O D453130 CC(Cc1ccc(c(c1)OC)O)(O)S(=O)(=O)[O-].[K+] D453155 [2H]C([2H])([2H])C(C([2H])([2H])c1ccc(c(c1)OC)O)(O)S(=O)(=O)[O-].[K+] D453157 COc1ccccc1Oc2c(nc(nc2O)c3ncccn3)O D453180 C[C@]12CC[C@@H](C[C@]1(C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)O D453200 Cc1c(ncc(c1OC)CO)CO D453220 Cc1c(c(=O)[nH]c(=O)[nH]1)[N+](=O)[O-] D453250 [2H]C([2H])([2H])[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C4(OCCO4)C)O)C)[C@@]5([C@]1(CC6(CC5)OCCO6)O)C D453272 C[C@](CO)(C(=O)OC)O D453280 Cc1c(ncnc1O)O D453325 CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)(C)O)c2ccccc2N3CCCC(C3)O D453335 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C D453350 Cc1cc2n(c(=O)c1C#N)CCC23OCCO3 D453360 CN1c2ccccc2C(=O)Nc3c1cccc3 D453370 Cc1ncc2n1-c3ccc(cc3C(NC2)c4ccccc4F)Cl D453380 [2H]c1c2n(c(n1)C([2H])([2H])[2H])-c3ccc(cc3C(NC2([2H])[2H])c4ccccc4F)Cl D453382 CCOC(=O)CC(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C D453385 CC(C)CC(=O)CC(C)C=C D453390 c1ccnc(c1)C2=NNCC2 D453395 c1ccc(c(c1)C2=NC(c3cnc(n3-c4c2cc(cc4)Cl)CO)O)F D453400 [2H]c1c2n(c(n1)C([2H])([2H])O)-c3ccc(cc3C(=NC2([2H])O)c4ccccc4F)Cl D453402 CN1CCN(CC1)C2=Nc3ccccc3NC(=O)C2 D453430 Cc1nc(c(c(n1)O)NC2=NCCN2)O D453460 c1cc(nc2c1ccc(n2)O)O D453540 c1c(cc(c(c1[N+](=O)[O-])O)O)C=O D453650 c1nc(c(c(n1)O)[N+](=O)[O-])O D453750 C[C@H](CC#N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C D453770 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC[C@@H](C4)O D453800 C[C@H](CCC(c1ccccc1)(c2ccccc2)O)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C D453890 C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N D454000 CNCCC=C1c2ccccc2[C@H]([C@H](c3c1cccc3)O)O D454100 C(CCCC/C=C\C=C\[C@H](CCCC(=O)O)O)CCCCO D454140 CN1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 D454155 C(CCCC(C(=O)O)O)CC/C=C\CCCCCCC(C(=O)O)O D454175 C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[OH-].[OH-].[Pt+6] D454185 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)O)NC(=O)c5ccccc5)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D454200 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)O)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H]([C@@H]([C@@H]6[C@]5(CO6)OC(=O)C)O)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] D454202 c1cc(c(cc1CC(=O)O)O)O D454250 COC(=O)Cc1ccc(c(c1)O)O D454260 CC(=O)Cc1ccc(c(c1)O)O D454300 c1c(cc(cc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D454370 c1c(cc(cc1[O-])OS(=O)(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+] D454375 c1cc(c(cc1CC(=O)c2ccc(cc2O)O)O)O D454460 CC(C)(C)NCC(=O)c1cc(cc(c1)O)O.Cl D454480 [2H]c1c(c(c(c(c1C(C([2H])([2H])O)O)[2H])O)O)[2H] D454512 c1ccc(cc1)COC(=O)N2CCCC(C2O)O D454530 [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C([C@H]1O)([2H])[2H])CC[C@@H]4C(=O)CO)C)C)[2H] D454537 C[C@]12CCC3(C=C1CC[C@@H]4[C@@H]2C(=O)C[C@]5([C@H]4CC[C@@]5(C6(OCCO6)CO)O)C)OCCO3 D454540 CCCCCCCCCCCCCCCCCC(=O)NCC(CO)O D454545 c1c2c([nH]n1)nc(nc2O)O D454550 [13cH]1c2c([15nH][15n]1)nc(nc2O)O D454552 c1cnc(cc1O)O D454590 c1c(=O)[nH]cnc1O D454605 c1c(c(nc(n1)O)O)C(=O)O D454625 c1c[nH]c2c1c(=O)[nH]c(=O)[nH]2 D454675 c1c[nH]c2c1[nH]c(=O)[nH]c2=O D454680 CCCCCCCCC(C(CCCCCCCC(=O)O)O)O D454750 C=Cc1cccc(c1O)O D454800 C=Cc1ccc(c(c1)O)O D454805 c1cc2c(ccc3c2[nH]c(=O)c(=O)[nH]3)c(c1)S(=O)(=O)N D454875 C1[C@H]([C@H]([C@@H]2N1C[C@H]([C@H]([C@H]2O)O)O)O)O D455000 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(O4)O)CC[C@]5([C@@]3(CCC(C5)O)C)O D455005 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\[C@@H]([C@H](CCC3=C)O)O)C D455010 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\[C@H]([C@H](CCC3=C)O)O)C D455015 c1c2c(cc(c1O)O)CNCCC2.Br D455025 Cc1ccsc1C(c2c(ccs2)C)(C(CCN3CCC[C@@H](C3)C(=O)O)O)O D455030 c1ccc(c(c1)C2=NC(c3nnc(n3-c4c2cc(cc4)Cl)CO)O)Cl D455035 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2[nH]c(=O)[nH]c3=O)OC(=O)C)OC(=O)C D455040 C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455045 C[C@H](CC(CC(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455050 CC1=C(C(=O)c2ccccc2C1=O)CCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C D455055 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455065 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O D455067 c1ccc2c(c1)c(c[nH]2)SSc3c[nH]c4c3cccc4 D455070 C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455075 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(CO)O D455077 c1c(cc(c(c1I)O)I)C=O D455080 [13cH]1[13c]([13cH][13c]([13c]([13c]1I)O)I)C=O D455082 C[C@H](/C=C/C(C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455085 [2H]C([2H])([2H])C(/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C(C)(C)O)O D455087 C[C@H](/C=C/[C@H](C)C(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455090 c1c(cc(c(c1I)O)I)CC(=O)C(=O)O D455095 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)C D455100 C[C@H](/C=C/C(C)(C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455105 [2H]C([2H])([2H])C(/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C(C)C)O D455107 C(CI)OCCI D455110 c1c(cc(c(c1I)O)I)C(=O)N D455115 c1c(cc(c(c1I)O)I)C(=O)O D455120 c1cc(ccc1O)Oc2c(cc(cc2I)C=O)I D455130 c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O D455150 c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I D455155 c1c(cc(c(c1I)O)I)C#N D455160 CC(Cc1cc(c(c(c1)I)O)I)(C(=O)O)N D455165 CC(=O)N/C(=C\c1ccccc1)/C(=O)O D455180 CCC/C=C/N(CC(C)C)CC(C)C D455205 CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C D455215 [2H]c1c(c(c(c(c1[2H])C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)[2H])[2H] D455217 CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C D455225 [2H]c1c(c(c(c(c1[2H])C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C)[2H])[2H] D455227 CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C D455230 [2H]c1c(c(c(c(c1[2H])C(=O)OCCC(C)C)C(=O)OCCC(C)C)[2H])[2H] D455232 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl] D455237 CC(C)C1=CC(=O)C=C(C1=O)C(C)C D455245 CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CO D455250 CC(C)c1c(c(c(c(n1)C(C)C)C=O)c2ccc(cc2)F)COC D455265 CC(C)c1cccc(c1C(=O)O)C(C)C D455280 Cc1ccc(cc1)S(=O)(=O)OC2[C@H]3[C@H](O[C@H]2C4COC(O4)(C)C)OC(O3)(C)C D459328 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)OC)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459332 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(C(=O)CC(c1ccccc1)c2cc(ccc2OC)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459336 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2OC)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459337 CC(C)N(C(C)C)P(OC)Cl D459345 CCC(CC)N(C(C)C)C(C)C D459350 [2H]C([2H])([2H])C([2H])([2H])C(C([2H])([2H])C([2H])([2H])[2H])N(C(C)C)C(C)C D459352 CC(C)c1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)C(C)C D459360 CCCCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O E555385 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCCc3ccccc3 E555390 CC(C)(C)[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)CC(C)(C)N)O)O E555450 *C(C)CCCC/C=C/C=C\C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)c2ccc(cc2)O)CCCN)[C@@H](C)O)c3ccc(cc3)O)c4ccc(cc4)O)[C@H](C)O)CCCNC(=O)N)C[C@@H]5CNC(=N5)N)c6ccc(cc6)O)CO)c7cc(c(c(c7)Cl)O)Cl)C[C@@H]8CNC(=N8)N)C)c9ccc(cc9)O)C E555550 CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN.Br E555800 [2H]C1(C(N(C(C(N1C(=O)CCCCCN)([2H])[2H])([2H])[2H])C(=O)CC(C)C)([2H])[2H])[2H].Br E555802 CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn(c(=O)n1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O E557500 CCn1cc(c(=O)c2c1nc(c(c2)F)N3CCNCC3)C(=O)O E557600 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c(=O)c(cn(c3n2)CC)C(=O)O)F)([2H])[2H])[2H] E557602 CCN1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O E557800 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O E557802 CCN(CC)C(=O)/C(=C\c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N E558490 CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N E558500 [2H]C([2H])([2H])C([2H])([2H])N(C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N)C([2H])([2H])C([2H])([2H])[2H] E558502 CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)[N+](=O)[O-])/C#N E558510 C#Cc1c[nH]c(=O)[nH]c1=O E558650 CC(C)OP(=O)OC(C)C D459370 CC(C)n1cc[n+](c1)C(C)C.[OH-] D459385 CC(C)OP(=O)(OC(C)C)Cl D459400 CC(C)OS(=O)OC(C)C D459600 CC(C)N(CCc1c[nH]c2c1cccc2)C(C)C.C(=O)(C(=O)O)O D459750 [2H]C([2H])(c1c[nH]c2c1cccc2)C([2H])([2H])N(C(C)C)C(C)C.C(=O)(C(=O)O)O D459752 CC(C)NC(=O)NC(C)C D459850 CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 E320000 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C)[2H])[2H] E320002 CCOC(=O)C1=C(C(=O)N(C1)Cc2ccccc2)O E320500 CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC E325300 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl E325550 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl E325552 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl E325560 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl E325562 CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1O E325570 c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-] E326000 CC1=NN(C(=O)C1)c2ccccc2 E335000 CC[N+](C)(C)c1cccc(c1)O.[Cl-] E336000 [2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)c1cccc(c1)O.[Cl-] E336002 Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C E415000 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C E415002 c1cc2c(cc1Cl)[C@](OC(=O)N2)(C#CC3CC3)C(F)(F)F E425000 [2H]C1(C(C1([2H])C#C[C@@]2(c3cc(ccc3NC(=O)O2)Cl)C(F)(F)F)([2H])[2H])[2H] E425003 c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F E425005 Cc1c(ccc-2c1CCc3c2c(cc(c3)O)C=C)O E435000 C(CC(C(F)F)(C(=O)O)N)CN.O.Cl E436000 CCCCCCCC/C=C\CCCC/C=C\CCCC(=O)O E476800 [2H]/C(=C(\[2H])/CCCC/C(=C(/[2H])\CCCC(=O)O)/[2H])/CCCCCCCC E476802 CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O E477000 CCCCCCCCCCCCCCCCCCCC E477490 CCCCCCCCCCCCCCCCCCC(CO)O E477500 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O E477800 [2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O E477802 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E477805 [2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E477807 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O E477880 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C E477890 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O E477930 [2H]/C(=C(\[2H])/C/C(=C(/[2H])\C/C(=C(/[2H])\CCCCCCC(=O)O)/[2H])/[2H])/CCCCC E477932 CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-] E478000 COc1cccc2c1[nH]c3c(c2=O)cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC E489000 [2H]C([2H])(c1ccc(cc1)NC(=O)c2cccc3c2[nH]c4c(c3=O)cccc4OC)C([2H])([2H])N5CCc6cc(c(cc6C5)OC)OC E489002 CCCCCCCC/C=C/CCCCCCCC(=O)N E500000 CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)([O-])OCC[N+](C)(C)C E501000 COc1cc(cc(c1OC)OC)CC=C E501020 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505000 [2H]C([2H])([2H])N1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505002 CN1CCC[C@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505005 [2H]C([2H])([2H])N1CCC[C@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505007 C[N+]1(CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4)[O-] E505010 c1cc(c(c(c1)Cl)Nc2cscc2CC(=O)O)Cl E507000 [2H]c1c(c(c(s1)[2H])Nc2c(cccc2Cl)Cl)C([2H])([2H])[13C](=O)O E507002 c1cc(c2c(c1)OCCO2)N3CCNCC3.Cl E507500 Cc1ccc(cc1C)N2C(=O)/C(=N\Nc3cccc(c3O)c4cccc(c4)C(=O)O)/C(=N2)C E508000 Cc1ccc(cc1C)N2[13C](=O)/[13C](=N\Nc3cccc(c3O)c4cccc(c4)C(=O)O)/[13C](=N2)[13CH3] E508002 CC(C)[C@@H](CO)n1cc(c(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O E509000 [2H][H]c1c2c(c(c(c1C([2H])([2H])c3cccc(c3F)Cl)OC([2H])([2H])[2H])[H][2H])n(c(c(c2=O)C(=O)O)[H][2H])[C@H](CO)C(C)C E509002 c1c(c(nc(=O)n1[C@@H]2C=C[C@@H](O2)CO)N)F E515000 c1c(c([15n][13c](=O)[15n]1[C@@H]2C=C[C@@H](O2)CO)N)F E515002 CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@@H](O7)C)NC)OC)OC)\C)C.c1ccc(cc1)C(=O)O E520500 CC(c1ccccc1)(c2ccc(cc2)Br)OCCN(C)C.Cl E521000 [2H]c1c(c(c(c(c1[2H])[2H])C(C)(c2ccc(cc2)Br)OCCN(C)C)[2H])[2H].Cl E521002 CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2.[Br-] E521500 [2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2.[Br-] E521502 CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC E521530 c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)O E523000 [2H]c1c(c(c(c2c1C(=O)c3c(c(c(c(c3C2=O)O)[2H])O)[2H])O)[2H])C E523002 Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)C2=O E523010 CCc1c(cc(cn1)C)O E524000 c1c(c(nc(=O)n1[C@@H]2CS[C@H](O2)CO)N)F E524990 c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)CO)N)F E525000 c1c(c([15n][13c](=O)[15n]1[C@@H]2CS[C@@H](O2)CO)N)F E525002 c1c(c(nc(=O)n1[C@H]2CS[C@H](O2)CO)N)F E525005 CSC[C@@H]1O[C@@H](CS1)n2cc(c(nc2=O)N)F E525015 c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)F E525020 c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)F E525025 c1c(c(nc(=O)n1[C@@H]2C[S@@](=O)[C@@H](O2)CO)N)F E525030 C.c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)([O-])[O-])N)F E525040 CC[NH+](CC)CC.c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)[O-])N)F E525045 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O E555245 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O E555250 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)[2H])[2H].C(=C\C(=O)O)\C(=O)O E555252 [2H]C([2H])([2H])[C@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCC E555253 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)[2H])[2H] E555257 CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=O)(C(F)(F)F)O E555265 CCOC(=O)[C@H](CCc1ccccc1)N2[C@H](C(=O)N3CCC[C@H]3C2=O)C E555270 C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc3ccccc3)C(=O)O E555275 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O E555375 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])[2H])[2H].[Na+] E555377 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3 E555380 C#Cc1c[15nH][13c](=O)[15nH]c1=O E558652 C=C1[C@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558900 C=C1[C@H](C[C@H]([C@H]1CO)O)n2c[15n]c3[13c]2nc([nH][13c]3=O)N E558902 [2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C E588532 CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] E588535 [2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] E588537 C[N@@](C1C(=C(C(=O)[C@@]2([C@H]1C[C@H]3C(=C2O)C(=O)c4c(c(ccc4O)N(C)C)C3)O)C(=O)N)O)C E588540 [2H]C(=C1[C@H](C[C@@H]([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N)[2H] E558903 C=C1[C@@H](C[C@@H]([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558905 C=C1[C@H](C[C@@H]([C@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)n3cnc4c3nc([nH]c4=O)N E558910 C=C1[C@H](C[C@@H]([C@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)n3c[15n]c4[13c]3cc([nH][13c]4=O)N E558912 C=C1[C@@H](CC([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558915 C=C1[C@@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558920 C=C1[C@H](CC([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558925 C=C1[C@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558930 c1cc(cc(c1)O)C[C@H](CO)[C@H](Cc2cccc(c2)O)CO E558940 c1cc(cc(c1)O)CC([13CH2]O)[13CH](Cc2cccc(c2)O)[13CH2]O E558942 c1cc(cc(c1)O)C[C@H]2C(COC2=O)Cc3cccc(c3)O E558950 c1cc(cc(c1)O)C[13C@H]2C([13CH2]O[13C]2=O)Cc3cccc(c3)O E558952 c1ccc(c(c1)N)NC(=O)c2ccc(cc2)CNC(=O)OCc3cccnc3 E559300 Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7 E560000 C/C(=C\c1ccccc1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O E565300 c1ccc(c(c1)C#N)OCC(CNCCNC(=O)Cc2ccc(cc2)O)O E565500 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C#N)O)NCCNC(=O)Cc2ccc(cc2)O E565502 CCc1ccc(cc1)C(=O)C(C)CN2CCCCC2 E565800 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)CC)([2H])[2H])([2H])[2H])[2H].Cl E565802 C[C@H]([C@H](c1ccccc1)O)NC.[Cl] E575000 [2H]C([2H])([2H])N[C@@H](C)[C@@H](c1ccccc1)O.Cl E575002 [2H]C([2H])([2H])[C@@H]([C@@H](c1ccccc1)O)NC([2H])([2H])[2H].Cl E575003 C[C@@H]([C@H](c1ccccc1)O)NC.Cl E575005 [2H]C([2H])([2H])N[C@@H](C)[C@H](c1ccccc1)O.Cl E575007 C[C@@H]([C@@H](c1ccccc1)O)NC E575010 [2H]C([2H])([2H])N[C@@H](C)[C@@H](c1ccccc1)O E575012 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O E578000 [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O E578002 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E578010 [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E578012 Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O.Cl E578060 Cc1c2cccc(c2c(c3c1C[C@H]4[C@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O.Cl E578070 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O E582000 C1C(O1)CBr E582250 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O E582260 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O E582265 [2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H] E582302 C1[C@@H](O1)CCl E582305 C1[C@H](O1)CCl E582310 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl.Cl E582490 CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O E583500 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)(F)F)OC(=O)c4ccccc4 E584502 c1cn(c(=O)[nH]c1=O)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F E584800 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@H](O2)n3ccc(=O)[nH]c3=O)(F)F)OC(=O)c4ccccc4 E584805 CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O E585300 C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O E585900 C[C@@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O E585915 [2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C([C@]([C@]4([2H])O)([2H])O)([2H])[2H])C E586502 [2H]C1C[C@]2([C@@H](C[C@H]([C@H]2O)O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])O)C E586512 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O E587500 CN1CC[C@@]23C=C[C@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O E588025 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCN(C2)C)C=C[C@H](C4)O E588027 C[N+]1(CC[C@@]23C=C[C@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O)[O-] E588035 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O E588490 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O E588500 [2H]c1c(c(c(c(c1O)O)O)[2H])[C@@H]2[C@@H](Cc3c(c(c(c(c3O2)[2H])O)[2H])O)OC(=O)c4c(c(c(c(c4[2H])O)O)O)[2H] E588502 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588505 c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)[15n]3ccc([15n][13c]3=O)N)(F)F)OC(=O)c4ccccc4 E588507 c1cn(c(=O)nc1N)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl E588510 c1c[15n]([13c](=O)[15n]c1N)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl E588512 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588515 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588516 c1c(nc(=O)n(c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO)N E588520 c1cn(c(=O)nc1N)[C@H]2CS[C@@H](O2)CO E588525 c1c[15n]([13c](=O)[15n]c1N)[C@H]2CS[C@@H](O2)CO E588527 CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C E588530 c1cn(c(=O)nc1N)[C@@H]2CS[C@H](O2)CO E588545 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)O.Cl E588550 c1ccc2c(c1)Cc3ccccc3N4C2CN=C4N.Cl E588560 c1cc(ccc1C2Cc3ccc(cc3OC2)O)O E593000 c1cc(ccc1[C@@H]2Cc3ccc(cc3OC2)O)O E593001 [2H]C1C(C(c2ccc(cc2O1)O)([2H])[2H])([2H])c3ccc(cc3)O E593002 CCc1ccc(cc1)OCC2CO2 E679650 CCOC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3 E679700 CC[N+]1=C(C(c2c1cccc2)(C)C)C.[I-] E679900 C#Cc1cccc(c1)N E685070 [2H]c1c(c(c(c(c1[2H])N)[2H])C#C)[2H] E685072 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O)O E685095 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O E685100 [2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4(C#C)O)([2H])[2H])C E685102 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E685105 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O E685110 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)O)O)O)O E685113 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OS(=O)(=O)O E685115 CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C E685125 CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C)C#C E685130 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OS(=O)(=O)[O-])C)C#C.c1cc[nH+]cc1 E685135 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@]5(C#C)OC(=O)C)C)C(=O)OC)OC(=O)C E685140 CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#C)OC(=O)C)C E685150 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@]2(C#C)O)O)O E686500 CCOC(=O)N1CCC23CCCCC2C1Cc4c3cc(cc4)OC E700050 CCOC(=O)c1cn[nH]c1N E703100 CCOC(=O)c1cccnc1N E705500 CCOC(=O)c1c(cccn1)N E705505 CCOS(=O)(=O)c1ccc(cc1)O E708000 CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCNC(=O)CCC(=O)Nc5ccc(c(c5)C(F)F)OP(=O)(O)O)S(=O)(=O)[O-])(C)C.[K+] E717720 CCOC(C(=O)OCC)O E817860 CCN1C(=O)CCCC1=O E817880 CNC[C@@H](c1ccc(c(c1)O)O)O E588580 [2H]C([2H])([2H])NCC(c1ccc(c(c1)O)O)O E588582 [2H]C([2H])([2H])NC[C@@H](c1ccc(c(c1)O)O)O E588583 CNCC(c1ccc(c(c1)O)O)O E588585 CNCC(c1ccc(c(c1)O)O[C@H]2C([C@H]([C@@H](C(O2)C(=O)O)O)O)O)O E588590 CNCC(c1ccc(c(c1)O)OS(=O)(=O)O)O E588595 [2H]C([2H])([2H])NCC(c1ccc(c(c1)O)OS(=O)(=O)O)O E588597 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O E588600 CNCC(c1ccc(c(c1)O)O)S(=O)(=O)O E588605 [2H]C([2H])([2H])NCC(c1ccc(c(c1)O)O)S(=O)(=O)O E588607 CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C E588610 CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C E588630 C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O.Cl E588650 C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(CO)O)O)N)O E588655 C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(CO)O)O)N)O.Cl E588660 C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)OC E588760 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)OC E588765 C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3C24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC E588770 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3C24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC E588775 [2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2(C34[C@@H]1[C@@H]5CC[C@]6([C@]5(C[C@H]3O4)C)CCC(=O)O6)C E588777 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3C24[C@H](O4)C[C@]5([C@H]3CC[C@]5(CCC(=O)[O-])O)C)C(=O)OC.[K+] E588780 [2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2(C34[C@@H]1[C@@H]5CC[C@]([C@]5(C[C@H]3O4)C)(CCC(=O)[O-])O)C.[K+] E588782 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)S5)C E588800 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CSCC(F)(F)F E588825 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@]45[C@@]3(CC(=C([C@]4(O5)C)O)[N+]#[C-])C E588850 Cc1nc(cs1)/C=C(\C)/C2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C E588980 Cc1nc(cs1)/C=C(\C)/C2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C E588990 Cc1nc(cs1)/C=C(\C)/C2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C E589000 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)CO)O)C)C E589175 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C E589185 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)OC(C)(C)C)O)O)OC(=O)c5ccccc5)[C@@]6(CO[C@@H]6C7C3O7)OC(=O)C)C)O E589190 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]4[C@H]2O4)CC(=C)C5=CC(=O)C=C[C@]35C E589195 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C4(OCCO4)C)O)C[C@@H]5[C@]6([C@@]3(CCC7(C6)OCCO7)C)O5 E589200 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C4(OCCO4)C)O)C[C@H]5[C@@]6([C@@]3(CCC7(C6)OCCO7)C)O5 E589201 C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6 E589205 CC#C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6)C)O E589210 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@H]4[C@@]2(O4)[C@@]5(C1=CC(=O)C=C5)C)C)(C(=O)C)OC(=O)C E589215 C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)CO)C)C E589220 C[C@]12C[C@H]3[C@]4(O3)C([C@@H]1CC=C2C(=O)CO)CCC5=CC(=O)C=C[C@]45C E589225 CC(=C)[C@H]1C[C@@H]([C@]2([C@@H](C1)O2)C)O E589230 C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)CO)C)C)F E589240 c1ccc2c(c1)c3c([nH]2)cccc3OCC4CO4 E589250 c1ccc2c(c1)c3c([nH]2)cccc3OC[C@H]4CO4 E589255 c1ccc2c(c1)c3c([nH]2)cccc3OC[C@@H]4CO4 E589260 c1cc2c(c(c1)OCC3CO3)CCC(=O)N2 E589300 C/C(=C\CC/C(=C/C(=O)OC)/C)/CCC1C(O1)(C)C E589400 [2H]C([2H])([2H])OC(=O)/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C E589402 c1cc(ccc1CC(=O)N)OCC2CO2 E589600 c1ccc(cc1)CCC(=O)c2ccccc2OCC3CO3 E589700 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccccc2C(=O)CCc3ccccc3)[2H] E589702 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C12C(CCCC1(O2)C)(C)C E589800 C/C(=C\C(=O)O)/C=C/C=C(\C)/C1C=C2C(CCCC2(O1)C)(C)C E589805 C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C12C(CCCC1(O2)C)(C)C E589815 C/C(=C/C(=O)O)/C=C/C=C(\C)/C1C=C2C(CCCC2(O1)C)(C)C E589820 CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC(=O)O E589895 CCCCCCCC[C@H]1[C@@H](O1)CCCCCCCC(=O)O E589900 CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C E590050 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(/Cc3cccs3)\C(=O)O E590095 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(\Cc3cccs3)/C(=O)O E590100 [2H]C([2H])([2H])CCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(\Cc3cccs3)/C(=O)O E590102 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(\Cc3cccs3)/C(=O)O.CS(=O)(=O)O E590105 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/C=C(\Cc4cccs4)/C(=O)O E590110 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)/C=C(\Cc4cccs4)/C(=O)O E590115 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)OC)/C=C(\Cc3cccs3)/C(=O)OCC E590120 [2H]C([2H])([2H])C([2H])([2H])OC(=O)/C(=C/c1cnc(n1Cc2ccc(cc2)C(=O)OC)CCCC)/Cc3cccs3 E590122 CC(C)C1O[C@@H]([C@H](O1)C[NH-])C[NH-].C(C(=O)[O-])C(=O)[O-].[Pt+4] E591500 c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N3)CC(=O)O)CCCCNC(=N)N)C(=O)N E592000 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O E592400 [2H]c1c2ccc3c(c2ccc1O)CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C E592402 C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E592410 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O E592800 [2H]c1cc2c(c(c1O)[2H])CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C E592802 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+] E592810 [2H]c1cc2c(c(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H])CC=C4[C@@H]2CC[C@]5([C@H]4CC(C5=O)([2H])[2H])C.[Na+] E592812 C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E592820 [2H]c1cc2c(c(c1OS(=O)(=O)[O-])[2H])CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C.[Na+] E592822 c1cc(ccc1C2Cc3ccc(cc3OC2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O E593010 c1cc(ccc1C2Cc3ccc(cc3OC2)O)OS(=O)(=O)[O-].[Na+] E593015 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(c2)OCC(C3)c4ccc(cc4)O)O)O)O E593025 C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O E594500 C1CSC(=O)C1NC(=O)CSCC(=O)O E596050 C(CS)C(C(=O)[O-])NC(=O)CSCC(=O)[O-].[Na+].[Na+] E596065 C1CSC(=O)C1NC(=O)CSCC(=O)NC(CCS)C(=O)O E596070 C1CSC(=O)C1NC(=O)CSCC(=O)NC2CCSC2=O E596075 CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C E597450 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O E597500 [2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C E597502 CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O E597520 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C E599240 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C E599250 C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C.C(C(C(=O)O)O)(C(=O)O)O E599500 [2H][13C]([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)Cc8ccccc8)C.C(C(C(=O)O)O)(C(=O)O)O E599502 C[N+](C)(C)[C@H](Cc1c[nH]c(=S)[nH]1)C(=O)[O-] E600000 [2H]C([2H])([2H])[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)[O-] E600002 [2H]C([2H])([2H])[N+]([C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H] E600003 C[N+](C)(C)[13CH](Cc1c[15nH]c(=S)[15nH]1)C(=O)[O-] E600012 c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N E600100 Cc1c(cccc1C(=O)Nc2ccc(nc2)N3C[C@H](O[C@H](C3)C)C)c4ccc(cc4)OC(F)(F)F E615200 COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C.Cl E625000 [2H]C([2H])([2H])OCCOc1cc2c(cc1OCCOC([2H])([2H])[2H])ncnc2Nc3cccc(c3)C#C.Cl E625002 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)[O-])C(=O)[O-])[C@@H](C)O.[Na+].[Na+] E635000 [2H]c1c(c(c(c(c1[2H])NC(=O)[C@@H]2C[C@@H](CN2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)[O-])[2H])C(=O)[O-])[2H].[Na+].[Na+] E635002 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)O)C(=O)N5C[C@H](C[C@H]5C(=O)Nc6cccc(c6)C(=O)O)SC7=C(N8[C@H]([C@H]7C)[C@H](C8=O)[C@@H](C)O)C(=O)O)[C@@H](C)O E635015 C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H]([C@@H](C)OC(=O)c4cccc(c4)NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N7[C@H]([C@H]6C)[C@H](C7=O)[C@@H](C)O)C(=O)O)C(=O)O E635020 C[C@@H]1[C@@H](N=C(C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)N4C[C@H](C[C@H]4C(=O)Nc5cccc(c5)C(=O)O)SC6=C(N7[C@H]([C@H]6C)[C@H](C7=O)[C@@H](C)O)C(=O)O E635025 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)N5C[C@H](C[C@H]5C(=O)Nc6cccc(c6)C(=O)O)SC7=C(N8[C@H]([C@H]7C)[C@H](C8=O)[C@@H](C)O)C(=O)O)C(=O)O)[C@@H](C)O E635030 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O E649950 [2H][13C]([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)O)C)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C E649952 CC[C@H]([C@](C)([C@@H]([C@@H](C)C(=O)[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O)O[C@H]1C[C@@]([C@H]([C@@H](O1)C)O)(C)OC)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)O)O)O)O E649960 CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(CC(O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O E649970 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O E649980 CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O E650000 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O E650005 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O E650010 C.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O E650020 CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O)(C)O E653400 [2H]C([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]2(C)O)C)N)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C E653402 C1[C@H]([C@H](C(=O)O1)O)O E658500 CC(=O)O[C@H]1Cc2ccccc2N(c3c1cccc3)C(=O)N E659000 CC(C)NC[C@H](COc1ccc(cc1)CCC(=O)OC)O.Cl E667990 CC(C)NC[C@@H](COc1ccc(cc1)CCC(=O)OC)O.Cl E667995 CC(C)NCC(COc1ccc(cc1)CCC(=O)OC)O.Cl E668000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)CCC(=O)OC)O.Cl E668002 CC(C)NCC(COc1ccc(cc1)CCC(=O)[O-])O.[Na+] E668015 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)CCC(=O)O)O E668017 CC(C)NC[C@H](COc1ccc(cc1)CCC(=O)O)O E668020 CC(C)NC[C@@H](COc1ccc(cc1)CCC(=O)O)O E668025 Cc1cnc(c(c1OC)C)C[S@@](=O)c2[n-]c3ccc(cc3n2)OC.[Mg+2] E668300 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([n-]2)[S@](=O)Cc3c(c(c(cn3)C)OC)C.[Na+] E668302 c1ccc(cc1)C2=NCc3nncn3-c4c2cc(cc4)Cl E668380 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCc3nncn3-c4c2cc(cc4)Cl)[2H])[2H] E668382 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)O E668450 [2H]C1(c2cc(ccc2[C@H]3CC[C@]4([C@H]([C@@H]3C1([2H])[2H])[C@H]([C@H]([C@@H]4O)O)O)C)O)[2H] E668452 CC(=O)O[C@@H]1[C@@H]([C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C)O)O E668460 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O E668545 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O E668550 C[C@@]12CCC3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CCC2=O E668555 C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC5(C4)OCCO5 E668600 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)OC(=O)CCC(=O)O E668900 CCc1ccccc1n2c(nc3ccccc3c2=O)C E673500 [2H]C([2H])([2H])C([2H])([2H])c1ccccc1n2c(nc3ccccc3c2=O)C E673502 CCC1(C(=O)N(C(=O)N(C1=O)COC)COC)c2ccccc2 E675000 CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O E676000 [2H]C([2H])([2H])C([2H])([2H])C(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O E676002 CCC(CSC[C@@H](C(=O)O)N)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O E676010 CCC(CSC[C@H](C(=O)O)NC(=O)C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O E676020 CC(=O)Sc1cc(cc[n+]1[O-])C#N E676450 CCC(/C=C/Cl)(C#C)O E677000 [2H]C([2H])(C)C(/C=C/Cl)([13C]#[13CH])O E677002 c1cn2c3c(c(=O)[nH]c2n1)ncn3[C@H]4C[C@H]([C@H](O4)CO)O E678000 [2H]c1nc2c(=O)[nH]c3n[13c]([13c](n3c2n1[C@H]4C[C@H]([C@H](O4)CO)O)[2H])[2H] E678002 [2H]c1nc2c(=O)[nH]c3n[13cH][13cH]n3c2n1[C@H]4C[C@H]([C@H](O4)CO)O E678003 Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)C=C E678300 CCN[C@H](C)Cc1ccccc1.Cl E678390 [2H]C([2H])([2H])C([2H])([2H])N[C@H](C)Cc1ccccc1.Cl E678392 CCN[C@@H](C)Cc1ccccc1.Cl E678395 [2H]C([2H])([2H])C([2H])([2H])N[C@@H](C)Cc1ccccc1.Cl E678397 CCNC(C)Cc1ccccc1.Cl E678400 [2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccccc1.Cl E678402 CCO[13C](=O)C[13C]#N E678462 [2H]C([2H])([2H])C([2H])([2H])C1=C(CNC1=O)C E678487 CCOC(=O)c1ccc(c(c1)O)O E678500 [13CH3][13CH2]O[13C](=O)c1ccc(c(c1)O)O E678502 C1CN=C(N1)N.Cl E678700 CC[n+]1csc(c1C)CCO.[Br-] E678850 CCOC(=O)[C@@H](CC(C)C)O E679500 CCOC(=O)[C@H](CC(C)C)O E679505 CCOC(=O)C1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3F)Cl E679525 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3F)Cl E679527 CCNC(C)Cc1ccc(cc1)OC.Cl E679550 [2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccc(cc1)OC.Cl E679552 CCNC(C)C(=O)c1ccc(cc1)C.Cl E679600 [2H]C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccc(cc1)C.Cl E679602 CCN1C(=O)C=CC1=O E817900 [2H]C([2H])([2H])CN1C(=O)C=CC1=O E817902 CCc1c(nc2n(c1=O)CCCC2)C E817980 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 E818100 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)O E887995 [2H][C@@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)C)O E887997 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O E888000 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)C)O E888002 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888005 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E888010 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O E888012 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O E888015 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C)C(=O)OC)OC(=O)C E888020 C[C@]12CC=C3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O E888030 [2H][C@]1([C@]2(CC=C3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)C)O E888032 CCOC(=O)CNCCCC[C@@H](C(=O)OC)N E890505 [2H]C([2H])(C[C@@H](C(=O)OC)N)C([2H])([2H])CNCC(=O)OCC E890507 CCOC(=O)C(C)NCCCC[C@@H](C(=O)OC)N E890510 [2H]C([2H])(C[C@@H](C(=O)OC)N)C([2H])([2H])CNC(C)C(=O)OCC E890512 CCOC(=O)c1c(c(c([nH]1)C=O)CCC(=O)OC)C E890515 CCOC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C.C(F)(F)(F)S(=O)(=O)[O-] E890590 [2H]c1c(c(c([n+](c1[2H])[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)[2H])C(=O)OCC)[2H].C(F)(F)(F)S(=O)(=O)[O-] E890592 [2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H] E890602 CCC(=O)/C=C/OCC E890610 CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N.[Br-] E890700 [2H]C([2H])([2H])C([2H])([2H])[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N.[Br-] E890702 CCOc1cc(ccc1C(=O)OC)NC(=O)C E890800 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)O)NC(=O)C E890802 CCO/C=C/C(=O)OCC E890900 CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888040 CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4OC(=O)C)C E888045 CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CCCC)C E888050 CCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888055 CC(C)CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888060 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)OS(=O)(=O)[O-].[Na+] E888070 CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OC)C E888100 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)OCc6ccccc6)C)C(=O)OC)OC(=O)C E888160 CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888500 CCCCCCCCCCCCCCCCC[14C](=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888800 CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888815 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)OS(=O)(=O)[O-])C)C(=O)OC)OC(=O)C.[NH4+] E888820 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)OS(=O)(=O)[O-].[K+].[K+] E888830 CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C E888850 CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888855 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888860 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C E888862 C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@H]2O)O E888890 [2H][C@@]1(C(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@H]4O)C)([2H])[2H])O E888892 [2H][C@]1(C(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@H]4O)C)([2H])[2H])O E888897 C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O.[Na+].[Na+] E888900 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@H]3[C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C)C(=O)OC)OC(=O)C E888905 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@H]3[C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@H]5O)C)C(=O)OC)OC(=O)C E888910 C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2O)O E888915 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC=C2)O E888940 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O E888960 [2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@]4([2H])O)O)C E888962 [2H][C@@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C)O)O E888963 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] E888970 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2OS(=O)(=O)OCC(Cl)(Cl)Cl)OS(=O)(=O)OCC(Cl)(Cl)Cl)OS(=O)(=O)OCC(Cl)(Cl)Cl E888980 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O E889050 [2H]C1(C[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@@]2(C1=O)C)O)[2H] E889051 [2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C E889052 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+] E889055 [2H]c1cc2c(c(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H])CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC(C5=O)([2H])[2H])C.[Na+] E889057 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)N E889060 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E889065 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E889070 [2H]C1C[C@]2([C@@H](CCC2=O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OS(=O)(=O)[O-])C.[Na+] E889072 CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C E889100 CN1CCN(CC1)C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl E889150 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])[2H] E889152 C[N+]1(CCN(CC1)C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)[O-] E889155 CCN(C)C(C)C(c1ccccc1)O.Cl E889200 [2H]C([2H])([2H])N(CC)C(C)C(c1ccccc1)O.Cl E889202 CCn1c2c(cn1)c(c(cn2)C(=O)OCC)NN=C(C)C E889250 CC[C@@H](CO)NCCN[C@@H](CC)CO E889800 [2H]C([2H])(C([2H])([2H])N[C@@H](CC)CO)N[C@@H](CC)CO E889802 CCNCC.c1cc(c(cc1O)S(=O)(=O)O)O E889950 [2H]C([2H])([2H])C([2H])([2H])O E890122 CS(=O)(=O)SCCSS(=O)(=O)C E890350 CC1(OCCO1)CCC2(OCCO2)C E890365 [2H]C([2H])([2H])N([C@H](Cc1cn(c(n1)SC(=O)OCC)C(=O)OCC)C(=O)OC)C([2H])([2H])[2H] E890372 c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@H]([C@H](O4)CO)O E890380 c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@H]([C@H](O4)COP(=O)(O)O)O E890385 C1CCNC(C1)CCO E890390 C=Cc1cccc2c1CC(=O)N2 E890400 CC(CCCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)C=C E890405 [2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)C=C E890407 CCc1c(ncc(n1)C)C=C E890410 CCc1cc(ccn1)C(=S)N E890420 CCc1cc(ccn1)C(=S=O)N E890423 CCSCC[C@H](C(=O)O)N E890425 CCSCCC(C(=O)O)N E890430 CCSCC[C@@H](C(=O)O)N E890435 CCC1(CC(=O)NC1=O)C E890440 [2H]C([2H])([2H])CC1(CC(=O)NC1=O)C E890442 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C E890445 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4([13C]#[13CH])O)C E890447 [2H]C1(C[C@H]2[C@@H]3CC=C4C=C(CC[C@@]4([C@H]3CC[C@@]2(C1([2H])O)C)C)OCC)[2H] E890452 CCOC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1)C)C E890453 CCOC(=O)CCCCCCCCCCC(=O)O E890455 CCOC(=O)CCCCCCCCCCC(=O)Cl E890460 CCOc1[nH]c2c(cccc2n1)C(=O)OC E890465 [2H]C([2H])([2H])C([2H])([2H])Oc1[nH]c2cccc(c2n1)C(=O)OC E890467 CCOc1cc(ccc1C(=O)OCC)CC(=O)O E890470 [2H]C([2H])([2H])[N+]([C@H](Cc1cn(c(n1)SC(=O)OCC)C(=O)OCC)C(=O)OC)(C([2H])([2H])[2H])C([2H])([2H])[2H].[I-] E890477 CCOC(=O)/C=C(\C)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E890480 CCOC(=O)NCC1(N(C(CO1)(C)C)O)C E890485 CCOC(=O)N[C@](C)(Cc1c[nH]c2c1cccc2)C(=O)OC E890490 CCOC(=O)N[C@@](C)(C(C)C)C(=O)O E890495 CCOC(=O)CCCCCCCCO E890500 CCCc1c(c(n(n1)C)C(=O)N)NC(=O)c2ccccc2OCC E891000 CCCc1c(c(nn1C)C(=O)N)NC(=O)c2ccccc2OCC E891010 CCOC(=O)CN1CCNCC1 E891400 CCC(=O)OCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C E891500 CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccc(cc4)F E891545 CCOC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)N2C(=O)c3ccccc3C2=O E891570 B(c1ccc(cc1)C(=O)OCC)(O)O E891575 CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)O E891580 CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)OCc2ccccc2 E891583 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)O E891585 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O E891586 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OCc2ccccc2 E891588 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OC(C)(C)C E891590 CCOC(=O)c1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)O E891595 CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@@H]2C(=O)OCc4ccccc4 E891600 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)OCc4ccccc4 E891605 CCOC(=O)c1ccc(cc1)N2CCNCC2 E891610 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)C(=O)OCC)([2H])[2H])[2H] E891612 CCOC(=O)c1ccc(cc1)c2cn3cc(ccc3n2)C E891615 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4 E891620 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4)[2H])[2H] E891622 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4 E891625 CCC(=S)NC(=O)OCC E891630 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O E891650 CCOC(=O)c1c(c(c([nH]1)/C=C\2/c3ccccc3NC2=O)CCC(=O)OC)C E891660 CCOc1cc(sn1)CCl E891675 CCOc1ccc2ccc(=O)oc2c1 E891725 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc2ccc(=O)oc2c1 E891727 CCOC(=O)CCC(=O)Nc1ccccc1C(=O)OCC E891790 CCOC(=O)CCC(=O)Nc1cccnc1C(=O)OCC E891810 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)OC([2H])([2H])C([2H])([2H])[2H])CC(=O)O E891902 CCOC(C)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O E891930 CCOC(C)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC3C4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O E891935 [2H]C1=C2[C@](C=CC1=O)(C34[C@@H](CC2([2H])[2H])[C@@H]5C[C@@H]([C@@]([C@]5(CC3O4)C)(C(=O)C([2H])([2H])OC(C)OCC)O)C)C E891937 CCOC(C)O[C@@H]1[C@H]2C(C([C@H]3C1OC(O3)(C)C)O)OC(O2)(C)C E891950 [2H][C@]12[C@@H](CC(C3=CC(=O)C(C[C@@]31C)([2H])[2H])([2H])[2H])[C@@H]4CC[C@@]([C@]4(C(C2=O)([2H])[2H])C)(C(=O)C([2H])([2H])OC(C)OCC)O E891992 CCOCCSC[C@@H](C(=O)O)N E892000 CCOC(C)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C E892005 CCOC(C)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O E892010 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(C)OCC)C=O)Cl E892015 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(C)OCC)C(=O)O)Cl E892020 CCOP(=O)(OC1CC(N(C(C1)(C)C)[O-])(C)C)F E892025 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/N)C(=O)OC E892030 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/N)C(=O)OC E892032 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/NC(=O)OCC(CC)CCCC)C(=O)OC E892037 CCOP(=O)OC1CC(N(C(C1)(C)C)[O-])(C)C E892240 CCOC=C(C#N)C#N E892450 CCOCc1cnc([nH]c1=O)C E892470 CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)Cl)C E892500 CCOc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O.Cl E892525 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O E892552 CCOc1ccccc1OCC=O E892600 CCOc1ccccc1OCC(OCC)OCC E892610 CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNC(=O)CO3 E892650 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H]3CNC(=O)CO3 E892652 CCOc1ccccc1O[C@H](c2ccccc2)[C@H](CO)O E892660 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H](CO)O E892662 CCOc1ccccc1OCCBr E892663 CCOc1ccccc1O[C@H](c2ccccc2)[C@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])O E892665 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H](CO)OS(=O)(=O)C E892677 CCOc1ccccc1O[C@H](c2ccccc2)[C@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])OS(=O)(=O)C E892680 CCOc1ccccc1OCC2CO2 E892685 CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CO3 E892695 CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)OCC E892700 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccc(cc2)OCC E892702 CCCc1c2c(c(=S)[nH]c(n2)c3ccccc3OCC)n(n1)C E892710 CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3OCC)n(n1)C E892725 CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3OCC)nn1C E892730 CCCc1nc(c2n1[nH]c(nc2=O)c3ccccc3OCC)C E892745 CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)O E892780 CCOc1cc(ccc1N2C(=O)c3ccccc3C2=O)N/C=C(\C#N)/C(=O)Nc4ccc(c(c4)Cl)F E892785 CCOc1ccc2c(c1)C(=CC(N2)(C)C)C E892800 CCOc1ccc2c(c1)oc-3cc(=O)ccc3n2 E892875 CCOc1ccc2c(c1)oc-3cc(=O)ccc3[n+]2[O-] E892880 CCOC(=S)Sc1cccc(c1)CC(=O)O E892965 CCOc1nc2c(cccc2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC E892995 [2H]c1c(c(c(c(c1Cn2c3cccc(c3nc2OCC)C(=O)OC)[2H])[2H])c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)[2H] E892996 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2c(cccc2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC E892997 CCOC(=O)C(Cc1c[nH]c2c1cccn2)(C(=O)OCC)NC(=O)C E894650 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C E894750 CCOC(=O)COc1c(c(on1)C)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C E894875 CCOC(=O)C(Cc1c(onc1O)C)(C(=O)OCC)NC(=O)C E894905 CCOC(=O)C(Cc1c(on(c1=O)COC)C)(C(=O)OCC)NC(=O)C E894920 CCOC(=O)N1CCC(CC1)C(=O)N E895225 CCOC(=O)CCCOC(=O)C E896000 CCOC(=O)C(OC(=O)C)P(=O)(OCC)OCC E896185 CCOC(=O)OC(=O)C1=CC(N(C1(C)C)C(=O)C)(C)C E896350 CCOC(=O)[C@@H](Cc1ccccc1)SC(=O)C E896575 [2H]C([2H])([2H])C([2H])([2H])n1cnc(c-2ncnc12)N E897150 [2H]C([2H])([2H])C([2H])([2H])n1cnc2c1ncnc2N E897180 CCOC(=O)C(=C)c1ccccc1 E897350 CCC(C(=O)OCC)NCC E897980 CCNCCCCC1C(=O)NC(=O)N1 E898000 CCOC(=O)[C@H]1CC[C@@H](CC1)N.Cl E898100 CCOC(=O)CNCc1c(ccc(c1Cl)Cl)N E898180 CCO[13C](=O)[13CH2]NCc1c(ccc(c1Cl)Cl)N E898182 CCc1cc(cc(c1N)CC)/C=C\C(=O)OCC E898255 COCCCC/C(=N\OCCNCCN)/c1ccc(cc1)C(F)(F)F E898280 CCCCCCCCCCCCC/C=C/[C@H]([13C@H]([13C](=O)OCC)N)O E898317 CCOC(=O)c1c2ccccc2[nH]c1N E898525 CCOC(=O)c1cnc(nc1N)S E898775 CCOC(=O)c1cc2cc(c(cc2[nH]1)N)OC E898810 CCOC(=O)c1cc2cc(c(cc2[nH]1)N)OC.Cl E898815 CCNCc1cc(ccc1O)N E898820 [2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)N E898822 CCNCc1cc(ccc1O)[N+](=O)[O-] E898825 [2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)[N+](=O)[O-] E898827 CCOC(=O)C(C)(C)N.Cl E898855 [2H]C([2H])([2H])C(C(=O)OCC)(C([2H])([2H])[2H])N.Cl E898857 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O E898900 [2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O E898902 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O.Cl E898910 CCOC(=O)C(=O)Nc1ccc(cc1)N E899100 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N E899150 [2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N E899152 CCNC(C)C(=O)Nc1ccccc1C E899175 CCNC(C)C(=O)c1ccccc1.Cl E899200 [2H]C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccccc1.Cl E899202 CCOC(=O)c1ccsc1N E899325 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E899400 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC E899402 CCOC(=O)CC(=O)COCCN=[N+]=[N-] E899555 [2H]C([2H])(C([2H])([2H])OCC(=O)CC(=O)OCC)N=[N+]=[N-] E899557 CCOC(=O)/C(=C\c1ccccc1Cl)/C(=O)COCCN=[N+]=[N-] E899575 CCOC(=O)[C@@H]([C@H](c1ccccc1)N=[N+]=[N-])O E899625 CCc1ccccc1C=O E899750 CCc1cccc(c1)C(=O)c2ccccc2 E899790 CC[C@H](c1ccccc1)N E899970 CCOC(=O)c1ccc2ccc3ccccc3n2c1=O E899975 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NC(=O)OCc7ccccc7 E899980 [2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NC(=O)OCc7ccccc7 E899982 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(=O)OCC)[2H])[2H] E899987 CCOC(=O)CCN(Cc1ccccc1)C(C)C(=O)OCC E899990 CCOC(=O)[C@H](C)OCc1ccccc1 E900010 CCOC(=O)[C@H]([C@@H]([C@H]1CCCCN1C(=O)OCc2ccccc2)O)O E900020 CCOC(=O)/C=C/[C@H]1CCCCN1C(=O)OCc2ccccc2 E900030 CCOC(=O)CC(Cc1ccccc1)(C(=O)OCC)C(=O)OCC E900035 CCC(c1ccc(cc1)OC)C(CC)C(=C)c2ccc(cc2)OC E900040 CCOC(=O)C(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F E900050 CCOC(=O)C(c1c(c2ccccc2oc1=O)O)c3c(c4ccccc4oc3=O)O E900100 [2H]c1c(c(c2c(c1[2H])c(c(c(=O)o2)C(c3c(c4c(c(c(c(c4oc3=O)[2H])[2H])[2H])[2H])O)C(=O)OCC)O)[2H])[2H] E900102 CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)OC(C)(C)C E900130 CCOC(=O)c1ccc(cc1)C(=O)CBr E900150 CCOC(=O)CCc1cc2c(c(c1)Br)OCC2 E900250 CCOC(=O)C(C(C)C)Br E900330 CCOC(=O)C(C)(C)CC(=O)CCl.CCOC(=O)C(C)(C)CC(=O)CBr E900375 CCOC(=O)C(=C)CBr E900390 CCOC(=O)/C(=C/N(C)C)/C(=O)C E916625 CCN=C=NCCCN(C)C.[Cl] E916635 CCOC(=O)C(C)(C)Cc1ccc(cc1)S(=O)(=O)Cl E916650 CCOC(=O)C(C)(C)C#N E916680 CCc1[nH]c2c(n1)c(cc(n2)C)C E916720 CCOC(=O)/C=C(\C)/CBr E900400 CCOC(=O)/C=C(/C)\CBr E900405 CCOC(=O)/C=C/c1ccc(cc1)CBr E900435 CCOC(=O)OC(=O)C1=C(C(N(C1(C)C)[O-])(C)C)Br E900450 CCOC(=O)C(Cc1ccccc1)Br E900480 [2H]C([2H])(C(=O)OCC)C([2H])([2H])Br E900532 CCOC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C E900585 CCOC(=O)CO[Si](C)(C)C(C)(C)C E900620 CCOC(=O)/C(=C\C[C@@H](/C(=C/c1csc(n1)C)/C)O[Si](C)(C)C(C)(C)C)/C E900675 CCOC(=O)C(C)(C)CC(=O)CSC(C)(C)C E900750 CCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@]5(CC)O E900825 CCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@]5(CC)O E900830 [2H]C([2H])([2H])Cc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O E900832 CCc1ccc2cc3c(nc2c1)-c4cc5c(c(=O)n4C3)COC(=O)[C@@]5(CC)O E900835 CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900860 [2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900862 CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900865 [2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900867 CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900870 [2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900872 CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900875 [2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900877 CCOC(=O)C(C(CC(=O)c1cccnc1)c2cccnc2)C(=O)OCC E900920 CCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O E900980 CCNC(=O)[C@@H]1[C@H]2C([C@@H](O1)n3cnc4c3ncnc4N)OC(O2)(C)C E900995 CCOC(=O)[C@H]1CCC(=O)N1C(=O)C E901050 CCOC(=O)[C@H]1CCC(=O)N1 E901275 CCOC(=O)[C@@H]1CCC(=O)N1 E901276 CCOC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C E901500 [2H]C([2H])([2H])C([2H])([2H])c1ccc(c(c1)O)O E901762 CCOC(=O)CCl E901780 CCO[13C](=O)[13CH2]Cl E901782 CCOC(=O)CC(=O)CCl E901800 CCO[13C](=O)[13CH2][13C](=O)[13CH2]Cl E901802 CCOC(=O)CCCCl E901830 [2H]C([2H])(C(=O)OCC)C([2H])([2H])C([2H])([2H])Cl E901832 CCOC(=O)c1cc(c(nc1Cl)C)C E901840 CCOC(=O)C(C=O)Cl E901885 CCOC(=O)c1cn2c(n1)ccc(n2)Cl E901920 CCOC(=O)C(CCl)O E901940 CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c2cc(ccc2OC)Cl E901960 CCOC(=O)c1cnc(o1)CCl E901980 CCOC(=O)c1cnc(nc1Cl)SC E902000 CCOC(=O)c1ccc2cc(ccn2c1=O)Cl E902750 CCOC(=O)Nc1ccccc1Oc2ccc(cc2)Cl E903250 CCOC(=O)C(=C)CCCCCCOc1ccc(cc1)Cl E903450 CCc1cccc2c1ccc3c2ccc4c3cccc4 E903475 CCOC(=O)/C=C\c1ccccc1 E903950 CCOC(=O)C[13C]#N E905557 CCOC(=O)[13CH2][13C]#N E905558 CCOC(=O)C(=C)C#N E905600 CCOC(CC(C#N)C(=O)OCC)OCC E907500 CCC(C#N)(c1ccccc1)C(=O)OCC E907750 CCOC(=O)C#N E907820 CCOC(=O)C[C@H](CC#N)O E907920 CCOC(=O)C(C#N)c1ccccc1[N+](=O)[O-] E908175 CCOC(=O)N1CCC(CC1)C#N E908600 CCOC(=O)C(c1ccccc1)(C2CCCCC2)O E908950 CCOC(=O)C1CC1 E909050 [2H]C1(C(C1([2H])[2H])C(=O)OCC)[2H] E909052 [2H]C1(C(C1([2H])C(=O)OCC)([2H])[2H])[2H] E909053 CCOc1ccc2c(c1)occ(c2=O)c3ccc(cc3)O E911500 CCS[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)F E913500 CCN1CC([C@H]([C@@H](C1CO)O)O)O.Cl E915000 CCS[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)OCc5ccccc5 E915750 CCS(=O)[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)OCc5ccccc5 E915775 CCOC(=O)CCc1cc2c(c(c1Br)Br)OCC2 E915820 CCOC(=O)CCCCC(C(=O)C(C)N1C(=O)c2ccccc2C1=O)(C(=O)OCC)C(=O)OCC E915860 CCOC(=O)c1c(=O)[nH]c2cc(c(cc2n1)Cl)Cl E915900 CCOC(=O)COc1ccc(c2c1ncc(c2)Cl)Cl E915925 CCOC(=O)C(CC#N)C#N E915950 CCCCCC1C(O1)CC2C(O2)CCCCCCCCCC(=O)OCC E916000 CCOC(C(=O)OCC)OCC E916200 CCOC(=O)C(O)P(=O)(OCC)OCC E916440 CCN(CC)C(=O)Sc1ccccc1CC(=O)OCC E916445 CCN(CC)C(=S)Oc1ccccc1CC(=O)OCC E916450 CCN(CC)C(=S)Oc1cccc(c1)CC(=O)OCC E916455 CCN(CC)C(=O)Sc1cccc(c1)CC(=O)OCC E916460 CCOC(=O)C(C(c1cccnc1)O)(F)F E916490 CCOC(=O)C(F)(F)S E916500 CCOC(=O)CCc1ccc2c(c1)CCO2 E916520 CCOC(=O)/C=C/c1ccc2c(c1)CCO2 E916525 CCC1=C(CN(C1=O)C(=O)NCCc2ccccc2)C E916535 [2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccccc2)C E916537 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OCC)C E916540 [2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OCC)C E916542 CCOC(=O)[C@H]([C@@H](c1cccc[n+]1[O-])O)O E916550 CCC1=NCCC1 E916560 [13CH3][13CH2]C1=NCCC1 E916562 CCS[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)c3ccc(cc3)OC)OCOc4ccc(cc4)OC)OCOc5ccc(cc5)OC E916575 CCS(=O)[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)c3ccc(cc3)OC)OCOc4ccc(cc4)OC)OCOc5ccc(cc5)OC E916585 CC/C(=C\c1ccc(cc1)OC)/C(=O)c2ccc(cc2)OC E916600 CCOC(=O)C(C)(C)Cc1ccc(cc1)S E916750 CCOC(=O)c1cc(c(nc1)C)C E916760 CCOC(=O)COc1c(cccc1C)C E916780 CCOC(=O)C(C)(C)c1ccccc1 E916810 CCOC(=O)C(C)(C)Cc1ccccc1 E916850 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34 E916950 CCCC1(OCCO1)CC(=O)OCC E917075 CCC(Cc1ccc(c(c1)O)O)(C(=O)O)N.Br E917280 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc3n(c(=O)c2COC1=O)CCC3=O)O E917302 [2H]C([2H])([2H])C([2H])([2H])C1(c2cc3n(c(=O)c2COC1=O)CCC34OCCO4)O E917312 CCc1cccc2c1CC(=O)N2 E917320 [2H]C([2H])([2H])C([2H])([2H])C1c2cc3n(c(=O)c2COC1=O)CCC34OCCO4 E917342 CC[C@@]1(c2cc3n(c(=O)c2COC1=O)CCC3=O)O E917350 CCN1CCNC(=O)C1=O E917360 CCc1ccc(c2c1cccc2)C(=O)N(c3ccccc3)c4ccccc4 E917380 c1cc(c(cc1N)S(=O)(=O)[O-])CCc2ccc(cc2S(=O)(=O)[O-])N.[Na+].[Na+] E917400 C(CC(=O)N[C@@H](CSCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N E917460 C(CNC(=O)CI)NC(=O)CI E917500 CC1=C(C(CCC1)(C)C)/C=C/C(C)(C=C)O E917540 [2H]C([2H])([2H])C(C=C)(/C=C/C1=C(CCCC1(C)C)C)O E917542 C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O E917700 C(CN(CCN(CCC(=O)O)CC(=O)O)CC(=O)O)C(=O)O E917720 C1=CC(=O)N(C1=O)CCNC(=O)CC(C(=O)NCCN2C(=O)C=CC2=O)NC(=O)CN(CCN(CC(=O)NC(CC(=O)NCCN3C(=O)C=CC3=O)C(=O)NCCN4C(=O)C=CC4=O)CC(=O)NC(CC(=O)NCCN5C(=O)C=CC5=O)C(=O)NCCN6C(=O)C=CC6=O)CC(=O)NC(CC(=O)NCCN7C(=O)C=CC7=O)C(=O)NCCN8C(=O)C=CC8=O E917725 C1=CC(=O)N(C1=O)CCNC(=O)CN(CCN(CC(=O)NCCN2C(=O)C=CC2=O)CC(=O)NCCN3C(=O)C=CC3=O)CC(=O)NCCN4C(=O)C=CC4=O E917730 CCc1ccc(cc1)C(=O)C(C)NC.Cl E922000 [2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)CC.Cl E922002 CCC1=NC(CC1(c2ccccc2)c3ccccc3)C.Cl E923500 C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O E917745 C(CN(C[13C](=O)O)C[13C](=O)O)N(C[13C](=O)O)C[13C](=O)O E917747 C[13CH](C(=O)O)N(CCN([13CH2]C(=O)O)[13CH2]C(=O)O)[13CH2]C(=O)O E917748 C(CC(=O)O)[C@H](C(=O)O)NCCN[C@@H](CCC(=O)O)C(=O)O E917750 CCOC(=O)CN(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)OCC E917755 [2H]c1cc2c(c(c1O)[2H])C(C[C@@H]3[C@@]2(CC[C@]4([C@H]3C[C@H](C45OCCO5)O)C)[2H])([2H])[2H] E917757 CC(CCCO)C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)O[Si](C)(C)C(C)(C)C)O)C E917760 c1ccc2c(c1)C(=O)N(C2=O)OCCON3C(=O)c4ccccc4C3=O E917765 CC(CCCOS(=O)(=O)[O-])C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)O[Si](C)(C)C(C)(C)C)O)C.C[NH+](C)C E917770 c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC4(OCCO4)c5ccc(cc5)F.Cl E917775 [2H]C1(C(NC(=O)N1)([2H])[2H])[2H] E917782 CCCCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O E917785 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O E917787 CCCCCCCCCCCCC/C=C/[C@H]([C@H](C(=O)OCC)N)O.Cl E917790 CCCCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)OC(=O)c4ccc(cc4)c5ccccc5 E917800 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)OC(=O)c4ccc(cc4)c5ccccc5 E917802 c1cc(ccc1C(=O)O)NCCNc2ccc(cc2)C(=O)O E917810 CCC(CC)OC1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC E917820 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@H]3CC[C@H](C4)O)C)O E917825 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O E917830 CCOC(=O)CCCCCCCCCCC(=O)OCC E917840 CCOC(=O)CC(C(=O)c1cccnc1)C(=O)OCC E917850 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)OC([2H])([2H])C([2H])([2H])[2H])C E917857 CCc1ccccc1F E917870 [2H]C([2H])([2H])C([2H])([2H])c1ccccc1F E917872 CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C#C E917880 CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O)C#C[Si](C)(C)C E917885 CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O)OS(=O)(=O)C(F)(F)F E917890 CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O[Si](C)(C)C)OS(=O)(=O)C(F)(F)F E917895 CCc1ccc(nc1)CC(=O)OCC E917905 [2H]C([2H])(c1ccc(cn1)CC)C(=O)OCC E917907 CCOC(=O)c1c(nc(nc1C(C)C)N)c2ccc(cc2)F E917908 [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] E917912 CCOC(=O)c1c(nc(nc1C(C)C)NS(=O)(=O)C)c2ccc(cc2)F E917915 CCOC(=O)c1c(nc(nc1C(C)C)S(=O)(=O)C)c2ccc(cc2)F E917920 [2H]C([2H])([2H])C(c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] E917922 CCOC(=O)c1c(nc(nc1C(C)C)SC)c2ccc(cc2)F E917935 CCOC(=O)C(=O)c1ccc(cc1)F E917945 [2H]C([2H])([2H])C(C(=O)/C(=C/c1ccc(cc1)F)/C(=O)OCC)C([2H])([2H])[2H] E917952 CCc1c(cncn1)F.Cl E918000 [2H]C([2H])([2H])Cc1c(cncn1)F E918002 CCc1c(c(=O)nc[nH]1)F E918015 CCOC(=O)/C(=C/C=C/c1cccnc1)/F E918050 CCOC(=O)c1c(nc(s1)c2ccc(c(c2)F)C(F)(F)F)C E918090 CCOC(=O)c1cc2cc(c(cc2[nH]1)NC=O)OC E918160 CCC(c1cccnc1)N(C)C=O E918225 [2H]C([2H])([2H])C([2H])([2H])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O E918427 CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)O)O)O E918430 CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N E918500 CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC(=O)C4 E918590 CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34 E918600 CCc1cc(ccc1F)C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O E918700 [2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(c(c3)CC)F)O)[2H])[2H])Cl)[2H] E918702 CCSC1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E918750 CCCCC(CC)COCC(CO)O E918770 CCCCC(CC)COC(=O)c1cc(c(c(c1Br)Br)Br)Br E918780 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])OC(=O)c1cc(c(c(c1Br)Br)Br)Br E918782 CCc1ccc(cc1)C(C)C(=O)O E918820 [2H]C([2H])([2H])C(c1ccc(cc1)CC)C(=O)O E918822 CCOC(=O)C1=C(c2ccccc2S(=O)(=O)N1)O E918850 CCOC(=O)CC(=O)c1ccc(cc1O)OCc2ccccc2 E918920 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 E918935 CC[N+](C)(CCO)CCO.[Br-] E918940 [2H]C([2H])([2H])C([2H])([2H])[N+](C)(CCO)CCO.[Br-] E918942 CC[C@@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC E918945 CCOC(=O)C(=C)CO E918950 CCOC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)O E918980 [2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@]1(C[C@@H]1CO)c2ccccc2 E918992 CCn1ccc(=O)c(c1C)O E919000 CCOC(=O)Cc1ccccc1O E919070 CCOC(=O)Cc1cccc(c1)O E919075 CCOC(=O)Cc1ccc(cc1)O E919080 CCOC(=O)C/N=C\1/C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C E919160 CCOC(=O)C/N=C\1/C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C E919165 C/C=C/1\C(CC(N1C)C)(c2ccccc2)c3ccccc3 E919700 C/C=C/1\C(C[C@H](N1C)C)(c2ccccc2)c3ccccc3 E919705 C/C=C/1\C(C[C@@H](N1C)C)(c2ccccc2)c3ccccc3 E919710 CC1O[C@H]2C(O1)[C@H]([C@@H](C(O2)CO)O)O E919825 CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C E919850 CCn\1cc(s/c1=N/C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O)C E919950 [2H]C([2H])([2H])C([2H])([2H])n\1cc(s/c1=N/C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O)C E919952 CCOC(=O)c1cccc(c1)I E920520 CCOC(=O)[13c]1[13cH][13cH][13cH][13c]([13cH]1)I E920522 CCOC(=O)c1ccc(cc1)I E920525 CCOC(=O)/C=C(\C)/C=C/C1=C(CCCC1(C)C)C E920750 CCc1cc2c(cc1OC(=O)N3CCC(CC3)N4CCCCC4)c(c5c(n2)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC E921100 CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)CC(C)C E921225 [2H]C([2H])([2H])C(C(=O)CC(=O)OCC)C([2H])([2H])[2H] E921302 CCN(c1c(nc(c(n1)N)C(=O)N=C(N)N)Cl)C(C)C E921500 CCSC(=N)N.Br E921975 CCOC(=O)[C@@H](C)O E921980 CCOC(=O)/C=C(\C)/C=O E921985 CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)NC(=O)OC E921990 [2H]C([2H])([2H])CC1=NC(CC1(c2ccccc2)c3ccccc3)C.Cl E923502 CC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] E923510 [2H]C([2H])([2H])/C(=C(\CC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] E923512 CCC1=C(C(=O)OC1=O)C E923520 [2H]C([2H])([2H])C1=C(C(=O)OC1=O)CC E923522 CCN1CCCC1CNC.Cl E923650 [2H]C([2H])([2H])NCC1CCCN1CC.Cl E923652 CCc1c(cc(c(=O)[nH]1)C#N)c2ccncc2 E923800 CCN1CCCC(C1)N.Cl E923900 CCCCCCCCCCCCCCCC(=O)OCC E925480 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC E925482 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC E925483 CCP(=O)(Cl)Cl E925485 [B-](F)(F)(F)F.CCCOc1ccccc1C(=[NH2+])OCC E925490 [2H]C([2H])([2H])C([2H])([2H])N1CCNCC1.C(=O)(C(F)(F)F)O E925497 CCc1ccnc(c1)C(=O)O.Cl E925500 [2H]c1c(nc(c(c1C([2H])([2H])C)[2H])C(=O)O)[2H].Cl E925502 CCc1nn(c(=O)n1CC)CCCN2CCN(CC2)c3cccc(c3)Cl.Cl E933680 [2H]C1(C(N(C(C(N1CCCn2c(=O)n(c(n2)CC)CC)([2H])[2H])([2H])[2H])c3cccc(c3)Cl)([2H])[2H])[2H].Cl E933682 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O E933750 [2H]C([2H])([2H])Oc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C)O)O)OCO4 E933752 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)OP(=O)(O)O)OC)OCO5)O)O E933755 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3c4cc5c(cc4[C@H]([C@@H]6C3COC6=O)C7=CC(=O)C(=O)C(=C7)OC)OCO5)O)O E933760 [2H]C([2H])(C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C)C)NC(C)Cc3ccccc3.Cl F247547 CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247595 CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247596 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC E924300 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC E924302 CCOC(=O)[C@H]1C[C@@H](CCN1)C E924630 CCOC(=O)[C@H]1C[C@H](CCN1)C E924635 CCOC(=O)[C@H]1C[C@@H](CCN1)C E924640 CCOC(=O)[C@H]1C[C@H](CCN1)C E924645 CCNC E924850 C.CCNCCCCC(C(=O)O)N E925000 CCOC(=O)/C=C/c1ccc(cc1)S E925005 CCOC(=O)C(C)(C)S E925008 CCSS(=O)(=O)C E925010 CCc1c(nc2ccccn2c1=O)C E925015 CS(=O)(=O)SCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O.C(=O)(C(F)(F)F)O E925020 CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(CCCCNC(=O)CCSS(=O)(=O)C)C(=O)OC(C)(C)C E925025 [2H]C([2H])([2H])C([2H])([2H])Nc1ccc2c(c1)OCO2 E925032 CCN(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-] E925035 CCNCc1ccc(cc1)OC E925040 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)C E925045 [2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)C E925047 CCOC(=O)/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C E925050 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C(=O)OCC)/C)C E925052 CCOC(=O)C(CN(C)C)c1ccc(cc1)OC E925055 CCS[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)COC(O2)c3ccc(cc3)OC)O)O E925060 [2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H] E925067 CCOC(=O)COc1ccc(cc1C)S(=O)(=O)Cl E925070 CCOC(=O)Cc1ccc(cn1)C2(OCCO2)C E925075 CCN(CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O)Cc3ccc(cc3)OC E925080 CCN(CC#CCO)Cc1ccc(cc1)OC E925085 CCOC(=O)CCC1(OCCO1)C E925086 CCNC(=O)CCC1(OCCO1)C E925087 CCNCCCC1(OCCO1)C E925090 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34 E925095 [2H]C1(C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]2(C1=O)CC)[2H] E925097 CCOC(=O)c1nccn1C E925100 [2H]C([2H])([2H])SCCC(=O)OCC E925102 CCO/C=N/c1cccc(c1C)[N+](=O)[O-] E925103 CCOC(=O)c1cnn(c1C)c2ccccc2 E925105 CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)C=C(C)C E925110 CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c2cnc(cn2)C E925113 CCOC(=O)c1c[nH]nc1C E925115 CCOC(=O)C(C)(C)c1ccc(cc1)S(=O)(=O)N E925118 CC[C@H]1C(=O)NC2(S1)CCN(CC2)C E925120 CCOC(=O)c1cccnc1 E925125 CCO[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1.Cl E925127 [2H]c1c(c(c(nc1[2H])[2H])C(=O)OCC)[2H] E925128 CCOC(=O)[C@@H]1CCCNC1.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O E925130 CCOC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-] E925135 CCOC(=O)C(C)C(=O)C E925140 CCN(C)C(=O)Cl E925145 CCOC(=O)/C=C(\C)/c1ccccc1 E925150 CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C E925155 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C E925157 CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)O)O)O)O)C E925160 CCNC(C)c1cccnc1 E925165 CCC(C)(CC#N)C#N E925170 [2H]C([2H])([2H])CC(C)(CC#N)C#N E925172 CCN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O.Cl E925175 CCCCCCCCCCCCCC(=O)OCC E925180 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCC E925182 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC E925183 CCN(C)C(C)C=C(c1cccs1)c2cccs2.Cl E925185 [2H]C([2H])([2H])N(CC)C(C)C=C(c1cccs1)c2cccs2.Cl E925187 CCOC(=O)CNCc1c(ccc(c1Cl)Cl)[N+](=O)[O-] E925190 CCO[13C](=O)[13CH2]NCc1c(ccc(c1Cl)Cl)[N+](=O)[O-] E925192 CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-] E925195 CCN1C(CCC1=O)c2cccnc2 E925200 CCN(C)C(=O)Oc1cccc(c1)C=C E925205 CCc1ccc(c2c1cccc2)C(=O)O E925210 CCOC(=O)C[N+](=O)[O-] E925215 CCc1ccc(nc1)CCOc2ccc(cc2)[N+](=O)[O-] E925225 CCC(C(c1ccc(c(c1)O)O)O)N.Cl E925250 CCN1CCCC1c2cccnc2 E925300 CCCCCCCC/C=C\CCCCCCCC(=O)OCC E925325 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC E925327 CCNC(C)C(=O)c1ccc2c(c1)OCO2 E925340 [2H]C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccc2c(c1)OCO2 E925342 CCOC(=O)CC(C/C(=N/O)/c1cccnc1)c2cccnc2 E925350 CCOC(=O)C1CCC(=O)CC1 E925360 CCOC(=O)CC(CC(=O)c1cccnc1)c2cccnc2 E925370 [2H]c1c(c(c(c(c1[2H])[2H])CCC(=O)C(=O)OCC)[2H])[2H] E925387 [2H]C([2H])([2H])C([2H])([2H])P(=O)(Cl)Cl E925392 CCC(=O)CC(=O)OCC E925395 [2H]C([2H])([2H])CC(=O)CC(=O)OCC E925397 CCOC(=O)CCC(=O)c1cccnc1 E925400 CCC(CCC(=O)C)C(=O)OC(C)C E925405 CCOC(=O)c1ccc2ccccn2c1=O E925415 CCOC(=O)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 E925425 CCOC(=O)OC(=O)C1=CC(N(C1(C)C)O)(C)C E925435 CCOC(=O)C(Cc1ccccc1)C(=O)C E925438 CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)/C=C/c4ccccc4 E925440 CCOC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl E925445 CCSC(=N)Nc1ccccc1 E925450 CCC(c1ccccc1)(C(=O)N)C(=O)N E925455 [2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)(C(=O)N)C(=O)N E925457 CCC(c1ccccc1)C2NC(=O)C(C(=O)N2)(CC)c3ccccc3 E925460 CC[C@@H]([C@H](C)OCc1ccccc1)NNC=O E925465 [2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[Al+3] E925470 CCc1ccc(nc1)C(=O)O E925505 CCC(CC)OC1C=C(C[C@H]2[C@@H]1N2)C(=O)OCC E925510 CCCN(CC)CC#CCO E925515 CCC(c1ccccc1)(C(=O)OCC)N E925520 CCc1ccc(nc1)C E925530 CC[C@@H]([C@H](C)OCc1ccccc1)n2c(=O)n(cn2)c3ccc(cc3)N4CCN(CC4)c5ccc(cc5)O E925535 [2H]c1c(c(c(c(c1n2cnn(c2=O)[C@@H](CC)[C@H](C)OCc3ccccc3)[2H])[2H])N4CCN(CC4)c5ccc(cc5)O)[2H] E925537 CCc1ccnc(c1)C#N E925545 [2H]c1c(nc(c(c1C([2H])([2H])C)[2H])C#N)[2H] E925547 CCc1ccc(nc1)CCO E925550 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])O E925552 CCc1ccc(nc1)CCOS(=O)(=O)c2ccc(cc2)C E925555 CCc1cc[n+](cc1)[O-] E925560 [2H]c1c([n+](c(c(c1C([2H])([2H])C)[2H])[2H])[O-])[2H] E925562 CCOC(=O)/C=C/c1cccc[n+]1[O-] E925565 CCc1ccc(nc1)CCOc2ccc(cc2)CO E925570 CCOC(=O)NNC(=O)Nc1cccnc1 E925575 CCc1ccc(nc1)CCOc2ccc(cc2)C=O E925580 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)C=O E925582 CCc1ccc(nc1)CCOc2ccc(cc2)CCC(=O)OCC E925585 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)/C=C\3/C(=O)NC(=O)S3 E925590 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)/C=C\3/C(=O)NC(=O)S3 E925592 CCc1cccnc1N E925595 CCOC(=O)N1CCCCC1 E925600 CCc1c(ncc(n1)CCO)CCO E925605 CC[C@@H]1CNCCN1 E925610 CCOC(=O)CCNc1ccccn1 E925620 CCOC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl E925625 CCOC(=O)[C@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925626 CCOC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925630 CCOC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2.Cl E925635 CCOC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925636 CCOC(=O)/C=C/c1ccccn1 E925670 CCOC(=O)/C=C/c1cccnc1 E925675 CCc1ccc(nc1)CCOc2ccc(cc2)c3cc(ccc3OCCc4ccc(cn4)CC)CC5C(=O)NC(=O)S5 E925740 CCc1ccc(nc1)CCN2C(=O)C(SC2=O)Cc3ccc(cc3)OCCc4ccc(cn4)CC E925750 CCOC(=O)c1ccc[nH]1 E925775 CCOC(=O)/C(=N/Nc1ccc(c(c1)NC=O)OC)/C E925825 [2H]C([2H])([2H])C([2H])([2H])Oc1cccc(c1)O E925912 CC[Se]CCC1C(=O)NC(=O)N1 E925930 CCCCCCCCCCCCCCCCCC(=O)OCC E925950 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC E925952 CCS[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926100 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926150 CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926250 CCC(CCCCOC1CCCCO1)C(=O)OC(C)C E926265 CCC(CCCCOC1CCCCO1)CO E926270 CCc1c([nH]c2c1C(=O)CCC2)C E926290 CCc1c(nc2n(c1=O)CCCC2O)C.Cl E926300 CCN1CNC(=NC1)SC E926320 CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccc(cc2)OC)OCc3ccc(cc3)OC)OCc4ccc(cc4)OC)OCc5ccc(cc5)OC E926335 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccc(cc2)OC)OCc3ccc(cc3)OC)OCc4ccc(cc4)OC)OCc5ccc(cc5)OC E926385 CCn1c(=O)[nH]nn1 E926420 CCn1cnc2c1c(=O)n(c(=O)n2C)C E926675 CCc1ncc(c(n1)N)C[n+]2csc(c2C)CCO.[Cl-] E926690 CCOC(=O)c1cscn1 E926700 CCOC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c2cccs2 E926740 CCSc1cc(c(cc1OC)/C=C/[N+](=O)[O-])OC E926750 CCSCCn1cc(nc1C)[N+](=O)[O-] E926765 CCOC(=O)C(=S)N E926850 CCOc1nc(=O)c(cn1[C@H]2C[C@H]([C@H](O2)CO)O)C E926925 CCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O E926990 CCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O E926995 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 E927000 CCNS(=O)(=O)c1ccccc1C.Cc1ccc(cc1)S(=O)(=O)NC E927050 CCOS(=O)(=O)c1ccc(cc1)C E927065 CCc1ccc(cc1Cl)N2CCN(CC2)CCCn3c(=O)n4ccccc4n3 E927100 CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C E927150 CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C E927235 CCSC1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 E927500 CCOC(=O)c1c[nH]nc1C(F)(F)F E931250 CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C E931850 CCc1cccc2c1[nH]cc2CCO E931880 CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E931950 [2H]C([2H])([2H])C([2H])([2H])[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E931952 CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[I-] E931955 CCc1ccc(nc1)C=C E931970 CCOC(=S)SCCS(=O)(=O)[O-].[K+] E931985 CN1CCC[C@H]1c2cc(cnc2)C#C E932200 C[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C#C E932270 CC(C)(C)OC(=O)n1cccc1C#C E932325 C#Cc1c(ncn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N E932590 CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)C#C E932600 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2C#C)C#N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C E932620 CCCN(CC)C(CC)C(=O)Nc1c(cccc1C)C.Cl E932700 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])NC(=O)C(CC)N(CC)CCC)C([2H])([2H])[2H])[2H].Cl E932702 CCNC1=Nc2ccc(cc2C(O1)(C)c3ccccc3)Cl.Cl E932750 [2H]C([2H])([2H])C1(c2cc(ccc2N=C(O1)NCC)Cl)c3ccccc3 E932752 [2H]c1c(c(c(c(c1[2H])[2H])C2(c3cc(ccc3N=C(O2)NCC)Cl)C)[2H])[2H] E932753 CCNCC(c1cccc(c1)O)O.Cl E932950 [2H]C([2H])([2H])C([2H])([2H])NCC(c1cccc(c1)O)O.Cl E932952 CCC(C(=O)N)N1CCCC1=O E932970 CCOC(=O)C(C)(Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)N E932980 CC(Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)(C(=O)O)N E932985 CCc1cc2c(s1)-n3c(nnc3CN=C2c4ccccc4Cl)C E933030 [2H]C([2H])([2H])c1nnc2n1-c3c(cc(s3)CC)C(=NC2)c4ccccc4Cl E933032 CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O E933090 [2H]C([2H])([2H])C[C@]1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933092 CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O E933095 [2H]C([2H])([2H])C[C@@]1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933097 CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O E933100 [2H]C([2H])([2H])CC1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933102 CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O E933110 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCOCCO E933120 [2H]C1(C(N(C(C(N1CCOCCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] E933122 c1ccc(c(c1)C(=O)OCCOCCO)Nc2cccc(c2)C(F)(F)F E933135 [2H]c1c(c(c(c(c1[2H])C(=O)OCCOCCO)Nc2cccc(c2)C(F)(F)F)[2H])[2H] E933137 CC(C)(C(=O)OCCOC(=O)c1cccnc1)Oc2ccc(cc2)Cl E933150 Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCO E933200 CCOC(=O)c1cncn1[C@H](C)c2ccccc2 E933300 C[C@H](c1ccccc1)n2cncc2C(=O)O E933310 CCOC(=O)C1(CO1)CCCCCCOc2ccc(cc2)Cl E933500 CCOC(=O)[C@]1(CO1)CCCCCCOc2ccc(cc2)Cl E933505 c1cc(ccc1OCCCCCC[C@@]2(CO2)C(=O)[O-])Cl.[K+] E933508 CCOC(=O)[C@@]1(CO1)CCCCCCOc2ccc(cc2)Cl E933510 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 E933625 [2H]C#C[C@@]1(CC[C@@H]2[C@@]1(CC(=C)[C@H]3[C@H]2CC(C4=C(C(=O)C(C[C@]34[2H])([2H])[2H])[2H])([2H])[2H])CC)O E933627 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 E933630 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OS(=O)(=O)[O-])CCC4=CC(=O)CC[C@H]34.[Na+] E933635 Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C E934100 [2H]C([2H])([2H])S(=O)(=O)c1ccc(cc1)c2cc(cnc2c3ccc(nc3)C)Cl E934102 Cc1ccc(c[n+]1[O-])c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C E934115 CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] E935000 [2H]C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O E935002 CCCC(C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@H]3Cc6c5c(c(cc6)O)O4)C)OC)O E936500 CCOC(=O)C1(CCN(CC1)CCOCCO)c2ccccc2.Cl E936800 [2H]C1(CC(CC(N1CCOCCO)([2H])[2H])(c2ccccc2)C(=O)OCC)[2H].Cl E936802 Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N E937000 Cc1cc(cc(c1O[13c]2[13c]([13c](nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N E937002 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C([2H])([2H])[2H])[2H])C#N E937003 CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C E938000 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C)C E938002 CCc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C E938500 [2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cc(cc3)CC)C([2H])([2H])[2H] E938502 COc1ccc(cc1O)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC E938850 [2H]C([2H])([2H])Oc1ccc(cc1O)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC E938852 C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O E939000 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC E945400 [2H]C([2H])(C([2H])([2H])O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C)O E945402 CN1c2ccccc2C(=O)N3[C@H]1c4c(c5ccccc5[nH]4)CC3 E945480 CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O E947500 CCCCCCOc1ccccc1C(=O)N E952100 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C E957000 [2H]C([2H])([2H])[C@]12C=CC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C E957002 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)Cl E960000 c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O E975000 [2H]c1c(c(c(c(c1N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O)[2H])[2H])F)[2H] E975002 c1cc(ccc1[C@H]2[C@@H](C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)O)O E975005 c1cc(ccc1[C@H](CCC2[C@H](N(C2=O)c3ccc(cc3)F)[13c]4[13cH][13cH][13c]([13cH][13cH]4)O)O)F E975007 c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)O)O E975010 c1cc(ccc1[C@@H]2[C@@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O E975015 CC(=O)Oc1ccc(cc1)[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)OC(=O)C E975020 [2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)OC(=O)C)[2H])[2H])F)[2H] E975022 c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E975030 [2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H])[2H])F)[2H] E975032 c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O E975035 [2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccc(cc5)O)[2H])[2H])F)[2H] E975037 c1ccc(cc1)COc2ccc(cc2)[C@H]([C@@H](CCC(=O)O)C(=O)O)Nc3ccc(cc3)F E975050 c1cc(ccc1[C@H]([C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)O)Nc3ccc(cc3)F)O E975055 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)O[C@@H](CC[C@@H]3[C@H](N(C3=O)c4ccc(cc4)F)c5ccc(cc5)O)c6ccc(cc6)F E975060 c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CCC(=O)c4ccc(cc4)F)O E975065 CC(C)(C)[Si](c1ccccc1)(c2ccccc2)Oc3ccc(cc3)[C@@H]4[C@H](C(=O)N4c5ccc(cc5)F)CC[C@@H](c6ccc(cc6)F)O E975070 c1cc(ccc1[C@H]2[C@@H](CC[C@H](O2)c3ccc(cc3)F)C(=O)Nc4ccc(cc4)F)O E975080 [2H]c1c(c(c(c(c1NC(=O)[C@@H]2CC[C@H](O[C@H]2c3ccc(cc3)O)c4ccc(cc4)F)[2H])[2H])F)[2H] E975082 CCCCCCC/C=C\[C@@H](C#CC#C[C@@H](C=C)O)O F101080 CCCCCCC/C=C\CC#CC#CC(C=C)O F101100 C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C F101110 CC(=O)OCC(CCn1cnc2c1nc(nc2)N)COC(=O)C F101125 [2H]C([2H])(C(COC(=O)C)COC(=O)C)C([2H])([2H])n1cnc2c1nc(nc2)N F101127 c1c(nc(s1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N F101250 c1[13c](n[13c](s1)N=[13C](N)N)CSCC/C(=N/S(=O)(=O)N)/N F102252 c1c(nc(s1)N=C(N)N)CSCCC(=N)N.Cl F102255 c1c(nc(s1)NC(=N)N)CSCCC2=NS(=O)(=O)N=C(N2)CCSCc3csc(n3)NC(=N)N F102260 [2H]C([2H])([13C](=O)N)C([2H])([2H])SCc1csc(n1)N=C(N)N F102272 c1c(nc(s1)N=C(N)N)CSCCC(=O)O F102280 COC(=O)CCSCc1csc(n1)N=C(N)N F102290 CC(C)c1c(n(n(c1=O)c2ccccc2)C)CN(C)C(C)Cc3ccccc3 F102350 [2H]C([2H])([2H])N(Cc1c(c(=O)n(n1C)c2ccccc2)C(C)C)C(C)Cc3ccccc3 F102352 CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C F102430 CC(=CCC/C(=C/CC/C(=C/CBr)/C)/C)C F102440 CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C F102470 [2H]C([2H])([2H])/C(=C\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\C)/CCC=C(C)C F102472 CC(=CCC/C(=C/CC/C(=C/CSc1ccccc1C(=O)O)/C)/C)C F102500 C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O.[NaH] F103300 COCC(=O)Nc1cc(ccc1N=C(NC(=O)OC)NC(=O)OC)Sc2ccccc2 F227000 Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O F229000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)c2nc(c(s2)C(=O)O)C F229002 Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F229030 c1ccc(cc1)C(COC(=O)N)COC(=O)N F231000 [2H]C([2H])(C(c1ccccc1)C([2H])([2H])OC(=O)N)OC(=O)N F231002 CCOC(=O)C1=C(NC(=C([C@@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232365 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C([C@@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232367 CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232370 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232372 CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232375 [2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OCC)C)C F232377 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC([2H])([2H])[2H])C)C F232378 CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2Cl)Cl)C(=O)OC F232385 [2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC([2H])([2H])[2H])C)C F232387 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)Cc4ccccc4 F245200 CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)SC F245700 CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)S(=O)(=O)C F245710 CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)S(=O)C F245720 COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3ccccc3 F246750 [2H]C([2H])([2H])OC(=O)Nc1[nH]c2cc(ccc2n1)Sc3ccccc3 F246752 COC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)(=O)c3ccccc3 F246770 COC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)c3ccccc3 F246790 [2H]C([2H])([2H])OC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)c3ccccc3 F246792 c1ccc(cc1)c2ccc(cc2)C(=O)CCC(=O)O F247200 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(c(c(c2[2H])[2H])C(=O)CCC(=O)O)[2H])[2H])[2H])[2H] F247202 CCC(c1ccccc1)C(=O)OCCN2CCOC(C2C)c3ccccc3 F247250 [2H]C([2H])(C([2H])([2H])OC(=O)C(CC)c1ccccc1)N2CCOC(C2C)c3ccccc3 F247252 CCNC1C2CCC(C2)C1c3ccccc3.Cl F247270 [2H]C([2H])([2H])C([2H])([2H])NC1C2CCC(C2)C1c3ccccc3.Cl F247272 CC(Cc1ccccc1)N(C)CCNc2nc3c(n2C)c(=O)n(c(=O)n3C)C F247300 [2H]C([2H])([2H])N(CCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C(C)Cc3ccccc3 F247302 c1ccc(cc1)c2nc(cc(n2)Cl)Cl F247500 CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(c(=O)n3C)C.Cl F247545 CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247600 [2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1cccc(c1)C(F)(F)F.Cl F247602 CC1(CCCCC1)C(=O)Nc2ccc(c(c2Cl)Cl)O F247650 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C)C(=O)Nc2ccc(c(c2Cl)Cl)O)([2H])[2H])([2H])[2H])[2H] F247652 CC(C)(C(=O)O)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O F247700 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(c2ccc(cc2)Cl)O F247702 CC(C)(C(=O)O)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O F247705 CC(C)(C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)C(c3ccc(cc3)Cl)O F247710 [2H]C([2H])([2H])C(C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)(C([2H])([2H])[2H])Oc2ccc(cc2)C(c3ccc(cc3)Cl)O F247712 [2H]C([2H])([2H])OP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC([2H])([2H])[2H] F247802 Cc1cc(ccc1[N+](=O)[O-])OP(=S)(OC)OC F247850 [2H]C([2H])([2H])OP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC([2H])([2H])[2H] F247852 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248640 [2H]C([2H])([2H])C(C(=O)OC(C)C)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248642 CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248650 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248652 CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)C(=O)c3ccc(cc3)Cl F248660 CC(C)(C(=O)O[C@H]1[C@H](C([C@@H](C(O1)C(=O)OCC=C)O)O)O)Oc2ccc(cc2)C(=O)c3ccc(cc3)Cl F248665 CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248670 CC(C)(C(=O)OC)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248675 CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248680 c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O F248785 c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O.Br F248790 c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O.Cl F248795 CS(=O)(=O)O.c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O F248800 [2H]C1(Cc2c(cc(c(c2Cl)O)O)C(C(N1)([2H])[2H])c3ccc(cc3)O)[2H].CS(=O)(=O)O F248802 CC(c1cccc(c1)Oc2ccccc2)C(=O)O.O F248825 CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O.Br F248850 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O.Br F248852 CC(Cc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NCC(c3cc(cc(c3)O)O)O F248860 CC(Cc1ccc(cc1)OS(=O)(=O)[O-])NCC(c2cc(cc(c2)O)O)O.[Na+] F248865 Cc1c(c(n(n1)C)Oc2ccccc2)/C=N/OCc3ccc(cc3)C(=O)OC(C)(C)C F248880 C[N+]1(CCCCC1)CCC(c2ccccc2)(c3ccccc3)C(=O)N.[Br-] F249000 C[C@@H]1CN(C[C@@H](O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C F249500 [2H]C([2H])([2H])C(Cc1ccc(cc1)C(C)(C)C)CN2C[C@H](O[C@H](C2)C)C F249502 C[C@@H]1CN(C[C@@H](O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C(=O)O F249510 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H](C([C@H](O2)CO)O)F)I F335000 c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@@H](C([C@H](O2)CO)O)F)I F335002 c1c(c(=O)[nH]c(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)F)I F335010 c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5[As]6SCCS6)O)[As]7SCCS7)O F335200 CN1CCN=C1c2cccc(c2)Oc3c(c(c(c(n3)Oc4cc(ccc4O)C(=N)N)F)N(C)CC(=O)O)F F335500 [2H]C([2H])([2H])N1CCN=C1c2cccc(c2)Oc3c(c(c(c(n3)Oc4cc(ccc4O)C(=N)N)F)N(C)CC(=O)O)F F335502 c1c2c(c(c(c1F)N3C[C@H]4[C@H](C3)OCCN4)C#N)n(cc(c2=O)C(=O)O)C5CC5.Cl F338000 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C F342002 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C=O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342005 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C F342010 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342015 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)CO)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342020 CC(Cc1ccccc1)NCCC#N.Cl F249550 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)NCCC#N.Cl F249552 COC(=O)CCC=C=CC[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COc2ccccc2)O)O)O F249700 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)Nc2ccc(cc2)O)/C)/C F250000 c1ccc(cc1)CCN2CCC3(CC2)CNC(=O)O3.Cl F265000 [2H]c1c(c(c(c(c1[2H])[2H])CCN2CCC3(CC2)CNC(=O)O3)[2H])[2H].Cl F265002 CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 F274990 CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O F275000 [2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)CCc3ccccc3)C(=O)CC)[2H])[2H] F275005 Cc1cc(ccc1SC)OP(=S)(OC)OC F278000 [2H]C([2H])([2H])OP(=S)(Oc1ccc(c(c1)C)SC)OC([2H])([2H])[2H] F278002 Cc1cc(ccc1SC)OP(=O)(OC)OC F279000 Cc1cc(ccc1S(=O)(=O)C)OP(=O)(OC)OC F279010 Cc1cc(ccc1S(=O)C)OP(=O)(OC)OC F279015 c1ccc(cc1)Sc2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279250 c1ccc(cc1)S(=O)(=O)c2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279260 c1ccc(cc1)S(=O)c2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279265 CC(C)C(c1ccc(cc1)Cl)C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3 F279450 [2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)C(C#N)OC(=O)C(c3ccc(cc3)Cl)C(C)C)[2H])[2H] F279452 CC(C)(CO)NCC(c1ccccc1)O F285600 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCC(c1ccccc1)O F285602 c1ccnc(c1)c2nc(c(nn2)c3ccc(o3)S(=O)(=O)[O-])c4ccc(o4)S(=O)(=O)[O-].[Na+].[Na+] F307500 COc1cc(ccc1O)/C=C/C(=O)O F308900 [2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)O F308902 COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O F308910 [2H]C([2H])([2H])Oc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O F308912 COc1cc(ccc1OS(=O)(=O)O)/C=C/C(=O)O F308920 [2H]C([2H])([2H])Oc1cc(ccc1OS(=O)(=O)O)/C=C/C(=O)O F308922 COc1cc(ccc1O)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O F309000 [2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O F309002 CC(C)C(=O)Oc1ccc(cc1[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)CO.C(=C/C(=O)O)\C(=O)O F321300 CC(C)C(=O)Oc1ccc(cc1C(CCN(C(C)C)C(C)C)c2ccccc2)CO.C(=C/C(=O)O)\C(=O)O F321301 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2OC(=O)C(C)C)CO)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].C(=C/C(=O)O)\C(=O)O F321302 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(CC(=O)C)O)N)O F321800 CC(C)(c1ccc(cc1)[C@@H](CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322460 CC(C)(c1ccc(cc1)[C@H](CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322465 CC(C)(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322470 CC(C)(c1cccc(c1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322480 [2H]C([2H])([2H])C(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)(C(=O)O)C([2H])([2H])[2H] F322500 CC(C)(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)OC F322510 [2H]C([2H])([2H])C(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)(C(=O)OC)C([2H])([2H])[2H] F322512 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C F342025 c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F F342200 c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)C(F)(F)F)N)Cl)C(F)(F)F F342205 c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)SC(F)(F)F)N)Cl)C(F)(F)F F342210 C1C[C@@H](C[C@@H]1N)F.C(=O)(C(F)(F)F)O F588865 C1[C@@H](CC[C@H](C1)F)C(=O)O F588870 c1c(c(nc(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N)F F588875 c1c(c(nc(=O)[nH]1)N)F F589000 c1c(c([15n][13c](=O)[15nH]1)N)F F589002 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)F)F)OC(=O)C)OC(=O)C F590250 c1cn(c(=O)[nH]c1=O)[C@H]2[C@H](C([C@H](O2)CO)O)F F590275 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)F)F)OC(=O)C)OC(=O)C F590300 CC(CS(=O)(=O)c1ccccc1F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O F590850 c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)(C4CCNCC4)F F590900 c1c(c(nc(n1)Cl)Cl)F F590960 c1cc2c(cc1F)CCC(O2)C=O F590970 [2H]C([2H])(C(C1CCc2cc(ccc2O1)F)O)NCc3ccccc3 F590977 c1cc2c(cc1F)CCC(O2)CO F590980 c1cc2c(cc1F)CCC(O2)C(=O)O F590990 CCOC(=O)C1CCc2cc(ccc2O1)F F590995 COC(=O)C1CC(=O)c2cc(ccc2O1)F F591000 c1cc2c(cc1F)C(=O)CC(O2)C(=O)O F591005 [2H]C1(C(O1)C2CCc3cc(ccc3O2)F)[2H] F591012 COC(=O)C1CCc2cc(ccc2O1)F F591015 c1cc2c(cc1F)CCC(O2)C(=O)N3CCCCC3 F591020 C1C(C(=O)NC(=O)N1)F F591025 C1C(C(=O)[15NH][13C](=O)[15NH]1)F F591027 c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)F F591085 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/CO F595460 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C=O F595470 CC(C)c1c(c(c(n1CCC=O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 F595480 CS(=O)(=O)c1ccc(cc1)F F595500 c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F F342215 CC1(C(=C(C(=O)O1)OCC2CC2)c3ccc(cc3)S(=O)(=O)C)C F356000 [2H]C1(C(C1([2H])[2H])COC2=C(C(OC2=O)(C)C)c3ccc(cc3)S(=O)(=O)C)[2H] F356002 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC F370000 [2H][13C](=CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)\C)[2H] F370002 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(=C/[C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C)[C@@H]4CC[C@H]([C@H](C4)OC)O)O)C)OC)OC F370020 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@H]([C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O.[Na+].[Na+] F371500 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@H]([C@H](COP(=O)([O-])OP(=O)([O-])O[13CH2][13C@@H]4[13C@H]([13C@H]([13C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O.[Na+].[Na+] F371502 CN1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O.Cl F373000 Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)OCCN4CCCCC4.Cl F373500 [2H]C([2H])(C([2H])([2H])OC(=O)c1cccc2c1oc(c(c2=O)C)c3ccccc3)N4CCCCC4.Cl F373502 CCN1CCC[C@H]1CNC(=O)c2cc(cc(c2OC)OC)Br.Br F375000 c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F F389990 c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@@H]2CCCCN2)OCC(F)(F)F F389995 c1cc(c(cc1OCC(F)(F)F)C(=O)NCC2CCCCN2)OCC(F)(F)F F390000 [2H]c1c(c(c(c(c1OCC(F)(F)F)[2H])C(=O)NCC2CCCCN2)OCC(F)(F)F)[2H] F390002 CN1CCN(CC1)c2c(cc3c(c2F)n(cc(c3=O)C(=O)O)CCF)F F401250 c1ccc2c(c1)CC(CC2c3c(c4ccccc4oc3=O)O)c5ccc(cc5)OCc6ccc(cc6)C(F)(F)F F401500 c1ccc(c(c1)C(=O)OCC(CO)O)Nc2ccnc3c2cccc3C(F)(F)F F401700 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)c1ccccc1Nc2ccnc3c2cccc3C(F)(F)F)O)O F401702 CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc3nnnn3CCO)C(=O)O)NC(=O)CSC(F)F F401850 c1ccc2c(c1)C(=O)N(C2=O)SC(Cl)(Cl)Cl F402000 [2H]c1c(c(c2c(c1[2H])C(=O)N(C2=O)SC(Cl)(Cl)Cl)[2H])[2H] F402002 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O F405750 [2H][C@]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)NC(=O)C(Cl)Cl F405752 [2H][C@@]([C@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)NC(=O)C(Cl)Cl F405753 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)N)O.Cl F405770 CS(=O)(=O)c1ccc(cc1)[C@@H]([C@H](CF)N)O.Cl F405771 [2H][C@]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)N F405772 [2H][C@@]([C@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)N F405773 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CCl)NC(=O)C(Cl)Cl)O F405775 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CN[C@@H](CF)[C@H](c2ccc(cc2)S(=O)(=O)C)O)NC(=O)C(Cl)Cl)O F405780 CC(C)c1cccc(c1)C(C)CC=O F405820 C[C@H](CC=O)c1cccc(c1)C(C)C F405825 C[C@@H](CC=O)c1cccc(c1)C(C)C F405830 c1ccc(c(c1)C(=O)OCCN2CCCC2)Nc3ccnc4c3ccc(c4)C(F)(F)F F405850 [2H]C([2H])(C([2H])([2H])OC(=O)c1ccccc1Nc2ccnc3c2ccc(c3)C(F)(F)F)N4CCCC4 F405852 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)F F405870 c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2C[C@H]([C@H](O2)CO)O)F F405872 COc1ccccc1N2CCN(CC2)CCCC(=O)c3ccc(cc3)F F406800 [2H]c1c(c(c(c(c1C(=O)CCCN2CCN(CC2)c3ccccc3OC)[2H])[2H])F)[2H] F406802 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C(=O)COC(=O)C F407400 c1c(cnc(c1Cl)Nc2c(cc(c(c2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F F407450 CC(C)OC(=O)c1cc(c(cc1Cl)F)c2c(c(n(n2)C)C(F)(F)F)Br F407500 [2H]C([2H])([2H])n1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)OC(C)C)Br)C(F)(F)F F407502 c1cc(c(c(c1)F)C(=O)NC(=O)Nc2ccc(c(c2)Oc3c(cc(cn3)C(F)(F)F)Cl)Cl)F F410300 COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccc(cc3)F F418500 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl F418900 Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)NCC3N[C@H](C(S3)(C)C)C(=O)O F419180 Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)N[C@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O F419190 Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] F419200 c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O F421000 [2H]C([2H])(C(c1ccc(cc1F)F)(C([2H])([2H])n2cncn2)O)n3cncn3 F421002 c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O F421015 c1nc2c(nc(nc2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F)N F425000 c1[15n][13c]2c(nc(n[13c]2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F)N F425002 c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N F427000 c1cc(c2c(c1)OC(O2)(F)F)[13c]3c[nH]c[13c]3[13C]#N F427002 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F F428100 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O F428101 [2H]C1=C2CC[C@H]3[C@@H]4CC[C@@]([C@]4(C[C@@H]([C@@]3([C@]2(CC(C1=O)([2H])[2H])C)F)O)C)(C(=O)C([2H])([2H])O)O F428102 c1c(sc(n1)S(=O)(=O)CCC(=C(F)F)F)Cl F432500 c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F F435000 [2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2cccc(c2)C(F)(F)F)[2H])[2H] F435002 c1ccc2c(c1)C(=O)C(C2=O)c3ccc(cc3)F F436000 [2H]c1c(c(c(c(c1C2C(=O)c3ccccc3C2=O)[2H])[2H])F)[2H] F436002 CC1CCc2cc(cc3c2n1cc(c3=O)C(=O)O)F F445000 CC1CCc2cc(cc3c2n1c[13c]([13c]3=O)[13C](=O)O)F F445002 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F F455000 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F F455002 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)F F455005 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F F455015 C[C@@H]\1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C)F F455020 Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc3c(cccc3F)F F455100 c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F F455200 Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O F455400 [2H]C([2H])([2H])c1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F F455402 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O F455800 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O F455802 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C F455805 c1ccc-2c(c1)Cc3c2cccc3 F462000 c1ccc-2c(c1)C[13c]3[13c]2[13cH][13cH][13cH][13cH]3 F462002 c1ccc-2c(c1)Cc3c2cccc3O F462450 c1ccc2c(c1)-c3ccc(cc3C2=O)C(=O)O F462500 CCCCCCCCCCN(CC=O)C(=O)OCC1c2ccccc2-c3c1cccc3 F472420 C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NC(=O)OCC6c7ccccc7-c8c6cccc8)O F472430 C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3OC(=O)c5ccccc5)C(=O)c6cccc(c6C4=O)OC)OC(=O)c7ccccc7)(C(=O)COC(=O)c8ccccc8)O)NC(=O)OCC9c1ccccc1-c1c9cccc1)OC(=O)c1ccccc1 F472435 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)OC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C F472500 c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485250 c1cc2c(cc1C(=O)NCCCCCC(=O)NCC#Cc3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)OC26c7ccc(cc7Oc8c6ccc(c8)O)O F485280 c1cc2c(cc1N)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485300 c1cc2c(cc1N)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F485325 c1cc2c(cc1NC(=O)/C=C\C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485335 c1cc2c(cc1NC(=S)NCCCCCN)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485450 c1cc2c(cc1C(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O F485470 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=S)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O)OC(=O)CCCCCCCCCCCCCCC F485500 c1cc2c(cc1N=C=S)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485700 c1cc2c(cc1N=C=S)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F485705 c1cc2c(cc1N3C(=O)C=CC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O F489500 c1cc2c(cc1N3C(=O)C=CC3=O)C4(c5ccc(cc5Oc6c4ccc(c6)O)O)OC2=O F489530 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C F489650 C1[C@@H]2[C@H](C3C1C[C@@H]4C(C3)[C@]5(C(=C([C@@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C([C@@]2(C6(Cl)Cl)Cl)Cl)Cl)Cl F500000 C1[C@@H]2[C@H](C3C1C4CC3C5[C@@H]4[C@@]6(C(=C([C@]5(C6(Cl)Cl)Cl)Cl)Cl)Cl)C7(C(=C([C@@]2(C7(Cl)Cl)Cl)Cl)Cl)Cl F500005 C[C@]12CCCCC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C F500300 C(=C/C(=O)O)\C(=O)O F500380 [13CH](=[13CH]/[13C](=O)O)\[13C](=O)O F500382 CCOC(=O)/C=C/C(=O)O F500385 CCOC(=O)/C=C/C(=O)[O-] F500386 COC(=O)/C=C/C(=O)O F500390 [2H]C([2H])([2H])OC(=O)/C=C/C(=O)O F500392 CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F F500450 C#CCN1c2cc(c(cc2OCC1=O)F)N3C(=O)C4=C(C3=O)CCCC4 F500470 [13CH]#[13C][13CH2]N1c2cc(c(cc2OCC1=O)F)N3C(=O)C4=C(C3=O)CCCC4 F500472 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O F500485 CCCCOC(=O)C(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C F500495 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F F500500 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F F500502 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)C)F F500505 CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C F500510 c1cc2c(cc1NC(=O)CCS)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F500600 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)[N+](=O)[O-] F500700 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)[N+](=O)[O-] F500702 CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl F500800 [2H]C([2H])([2H])C([2H])([2H])N(CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl)C([2H])([2H])C([2H])([2H])[2H] F500802 CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F510000 C[N+](C)(C)C(CSS(=O)(=O)C)C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O.[Br-] F510500 C[N+](C)(C)CC(CC(=O)[O-])OC(=S)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F525000 C[C@@H]1C2[C@@H](CC(CN2CCNC(=S)Nc3ccc(c(c3)C(=O)O)c4c5ccc(cc5oc-6cc(=O)ccc46)O)C)OC17CCC8C9CC=C1C[C@H](CCC1(C9CC8=C7C)C)O F530000 c1cc(ccc1c2ccc(=N)n(n2)CCCC(=O)O)NC(=S)Nc3ccc(c(c3)C(=O)O)c4c5ccc(cc5oc-6cc(=O)ccc46)O.[Br-] F537500 c1cc(c(nc1)F)OC[C@@H]2CCN2 F575000 CC(=O)N/C(=C\c1ccc(cc1)F)/C(=O)O F587000 c1[nH]c2c(nc(nc2n1)F)N F587200 c1[nH][13c]2c(nc(n[13c]2[15n]1)F)N F587202 C(C(C(=O)O)F)N F587350 [13CH2]([13CH]([13C](=O)O)F)N F587352 CC(Cc1ccc(cc1)F)N.Cl F587600 CC(Cc1ccccc1F)N.Cl F587610 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1F)N.Cl F587612 c1cc(ccc1N)F F587650 COc1ccc(cc1)F F587680 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H](C=CC4)F)C)C F587700 c1cc(c(cc1F)C(=O)O)N F587750 c1cc(c(cc1F)N)C(=O)O F587755 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccccc2F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] F587900 c1c[nH]c2c1c(ccn2)F F588000 C1C(CN1)F.Cl F588150 c1cc(ccc1C(=N)N)F F588275 B(F)(F)F.c1cc(ccc1[N+]#N)F.[F-] F588325 Cc1c(c(=O)n2c(n1)CCC(C2)OC)CCN3CCC(CC3)c4c5ccc(cc5on4)F F588350 c1ccc(c(c1)C(=O)O)F F588380 c1cc(cc(c1)F)C(=O)O F588381 [2H]c1c(c(c(c(c1[2H])C(=O)O)F)[2H])[2H] F588382 COC(=O)c1cccc(c1)F F588385 c1ccc(c(c1)C#N)F F588390 c1cc(cc(c1)F)C(F)(F)F F588400 Cc1c(c(=O)n2c(n1)CCCC2)CC[N+]3(CCC(CC3)c4c5ccc(cc5on4)F)CCc6c(nc7n(c6=O)CCCC7)C F588410 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CCC24C5(OCCO5)OCO4)CCC6=CC(=O)C=C[C@@]63C)F)O F588430 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CCC45C6(OCCO6)OCO5)C)O)F)C F588432 c1cc2c(c(c1)F)non2 F588450 c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)C(=O)O)F F588465 c1cc(ccc1C(=O)C2CCNCC2)F.Cl F588470 c1ccc(c(c1)C(=O)CC#N)F F588475 c1cc(ccc1CNc2ccc(c(c2)N)N)F F588476 c1ccc(cc1)c2ccc(cc2F)CC(=O)O F588478 CCC(=O)N(c1ccc(cc1)F)C2CCN(CC2)CCc3ccccc3 F588480 [2H]C([2H])([2H])CC(=O)N(c1ccc(cc1)F)C2CCN(CC2)CCc3ccccc3 F588482 c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)Cl)F F588485 c1ccc(c(c1)C(=O)c2cc(ccc2N[13C](=O)CBr)Cl)F F588487 c1cc(ccc1[C@@H](C(=O)O)N)F F588490 c1cc(ccc1C(=O)CCCC(=O)O)F F588495 COC(=O)c1c(c2ccccc2nc1C3CC3)c4ccc(cc4)F F588500 c1cc(ccc1CN)F F588510 c1cc(ccc1C=O)F F588515 CCCCn1c2c(c(=O)n(c1=O)Cc3ccccc3F)[nH]c(n2)Cc4ccc(cc4)NC(=O)C F588520 COC.COc1ccc(cc1)CO[C@H]2[C@@H]3[C@H](O[C@@H]([C@@H]2OCc4ccc(cc4)OC)F)OC(O3)c5ccccc5 F588525 c1ccc(c(c1)C(=O)Cl)F F588575 c1cc(cc(c1)F)CBr F588605 c1cc(ccc1CBr)F F588610 c1cc(ccc1/C=C\2/C(=O)NC(=O)S2)F F588650 c1cc(ccc1CC2C(=O)NC(=O)S2)F F588680 c1ccc(cc1)c2ccccc2F F588750 CC(C(=O)c1ccc(cc1)F)NC(C)(C)C F588800 C(CCF)CO F588810 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccc(cc3)F)C(=O)OC F588840 C1C(CC1F)N.Cl F588850 C1C[C@H]([C@@H](C1)F)N F588855 C1C[C@H]([C@H](C1)F)N F588860 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1[C@H](C(=O)O)O)C)O)F)C F591095 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1[C@@H](C(=O)O)O)C)O)F)C F591100 Cc1cc(cc(c1F)C)N F591200 CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)n2cc(c(=O)[nH]c2=O)F F591350 CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)[15n]2cc(c(=O)[15nH][13c]2=O)F F591352 CC1(CC(C(N1O)(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])F)C F591500 C1CCC2(CC1)OC=C(C(=O)O2)F F591520 c1c(c(cc(c1O)O)F)C[C@@H](C(=O)O)N.Br F591546 c1c(c(cc(c1O)O)F)CC(C(=O)O)N.Br F591550 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)CCF F591565 CC(C(=O)c1ccccc1F)NC.Cl F591570 [2H]C([2H])([2H])NC(C)C(=O)c1ccccc1F.Cl F591572 CC(C(=O)c1cccc(c1)F)NC.Cl F591575 [2H]C([2H])([2H])NC(C)C(=O)c1cccc(c1)F.Cl F591577 CC(C(=O)c1ccc(cc1)F)NC.Cl F591580 [2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)F.Cl F591582 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O F591585 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4N5CCC(CC5)c6c7ccc(cc7on6)F)F F591590 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)/C(=N\O)/c4ccc(cc4N5CCC(CC5)c6c7ccc(cc7on6)F)F F591595 c1cc(ccc1C=O)c2ccc(cc2)F F591600 CC(=O)N1CCC(CC1)C(=O)c2cc(ccc2O)F F591660 CC(C(=O)c1ccc(cc1)F)NC(C)(C)CO F591700 C1(C(NC(=O)NC1=O)O)F F591740 COc1ncc(c(n1)O)F F591775 c1c(c(=O)[nH]c(=O)n1[C@@H]2CS[C@@H](O2)CO)F F591850 c1c(c(=O)[15nH][13c](=O)[15n]1[C@@H]2CS[C@@H](O2)CO)F F591852 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4F)O F591870 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4O)F F591875 c1cc(ccc1C(C(C(=O)O)N)O)F F591880 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)/C(=N\O)/c4ccc(cc4O)F F591890 c1ccc(cc1)P(=CC(=O)c2cc(ccc2O)F)(c3ccccc3)c4ccccc4 F591900 CC(C)(C)OC(=O)N1CCC(C(C1)F)O F591910 c1cc(c(nc1)F)O F591920 c1c(cncc1F)O F591925 c1cc(c(cc1F)O)C(=O)C2CCNCC2.Br F591930 c1cc2c(cc1F)c(n[nH]2)C(=O)[O-].[Na+] F591940 c1c(nc[nH]1)F F591950 c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)O F591960 Cc1cc(c(nc1)F)I F591970 c1cncc(c1I)F F591975 c1cc2c(cc1F)C(=O)C(=O)N2 F592000 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F F592050 C(CC(C(=O)O)N)C(CN)F.Cl F592100 C(=O)C(C(=O)O)F F592600 C(C1[C@H]([C@H](C([C@](O1)(CF)O)O)O)O)O F593000 CC(Cc1cccc(c1)F)NC.Cl F593100 [2H]C([2H])([2H])NC(C)Cc1cccc(c1)F.Cl F593102 CC(Cc1ccc(cc1)F)NC.Cl F593105 [2H]C([2H])([2H])NC(C)Cc1ccc(cc1)F.Cl F593107 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O F593145 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C F593150 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)OC(=O)C)C)(C(=O)C)OC(=O)C F593160 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C F593165 CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C F593170 COc1cc2c(c(c1N3C[C@@H]4CCCN[C@@H]4C3)F)n(cc(c2=O)C(=O)O)C5CC5 F593300 CNc1ccccc1F F593500 Cc1ccc(c(c1)F)c2ccccc2 F593625 CS(=O)(=O)c1ccc(cc1)[C@@H]2[C@H](N=C(O2)c3ccccc3)CF F593640 [2H][C@]1([C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C)C([2H])([2H])F F593642 C.c1c([nH]cn1)C[C@@](CF)(C(=O)O)N F593660 c1cc(c2c(c1)[nH]cc2CC(=O)O)CF F593680 CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccccc3 F593700 [2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccccc2)C(=O)c3ccc(cc3)F)[2H])[2H] F593702 B(c1ccc(cc1F)C)(O)O F593750 CC(C)(CO)F F593755 c1ccc2c(c1)cccc2F F593760 c1cc(c(cc1[N+](=O)[O-])C(=O)O)F F593775 c1cc(c(cc1C(=O)O)[N+](=O)[O-])F F593780 CC1CCc2cc(ccc2N1)F F593800 c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])F F594450 c1cc(c(cc1C#N)[N+](=O)[O-])F F594500 c1cc(c(cc1F)C(F)(F)F)[N+](=O)[O-] F594600 c1cc(c2c(c1[N+](=O)[O-])non2)F F594700 B(c1cccc(c1F)[N+](=O)[O-])(O)O F594850 CC(=O)NC[C@@H](CNc1ccc(c(c1)F)N2CCOCC2)O F594950 [2H]C1(C(OC(C(N1c2ccc(cc2F)NC[C@H](CNC(=O)C)O)([2H])[2H])([2H])[2H])([2H])[2H])[2H] F594952 CC(=O)NCC/C=N/c1ccc(c(c1)F)N2CCOCC2 F594960 c1(c([nH]c(=O)[nH]c1=O)C(=O)O)F F595000 c1cc2c(cc1F)CC(=O)N2 F595140 c1cc2c(cc1F)CC[C@@H](O2)[C@H]3CO3 F595145 c1cc2c(cc1F)CC[C@H](O2)[C@H]3CO3 F595146 Cc1c([nH]c(c1C(=O)O)C)/C=C\2/c3cc(ccc3NC2=O)F F595150 c1cc(ccc1C(=O)C=O)F F595155 CCCCCCCCCCCC(=O)NCCc1cccc(c1)F F595160 Cc1c(c(=O)n2c(n1)C(CCC2)O)CCN3CCC(CC3)c4c5cc(ccc5on4)F F595170 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2O)C)C([2H])([2H])N3CCC(CC3)c4c5cc(ccc5on4)F F595172 c1ccc(c(c1)C(=O)CCl)F F595175 c1cc(cc(c1)F)C(=O)CCl F595180 c1ccc(c(c1)OCCN)F F595185 CC(=O)Cc1ccccc1F F595190 c1ccc(cc1)Oc2cc(ccc2F)[C@@H](C#N)O F595200 CC(=O)Cc1ccc(cc1)F F595205 c1cc(ccc1c2cc(=O)[nH]c3c2CCCCCC3)F F595210 CC1(CCC(NCC1)c2cccc(c2)F)C.Cl F595215 CN1CCC(=CC1)c2ccc(cc2)F.Cl F595220 CC1CCC(NCC1)c2ccc(cc2)F.Cl F595225 Cc1c(nc(nc1C(C)C)N(C)S(=O)(=O)C)c2ccc(cc2)F F595230 [2H]C([2H])([2H])c1c(nc(nc1C(C)C)N(C)S(=O)(=O)C)c2ccc(cc2)F F595232 c1cc(ccc1C2=CCNCC2)F.Cl F595235 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)F F595240 c1ccc(c(c1)C2=NC[13C](=O)Nc3c2cc(cc3)Cl)F F595242 [2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)Cl)F)[2H])[2H] F595243 CCOC(=O)c1c[nH]c2cc(c(cc2c1=O)OC)F F595250 Cc1ccc(cc1C(=O)O)F F595260 c1ccc2c(c1)c(ccc2F)O F595270 c1ccc2c(c1)c(ccc2F)C=O F595275 c1cc(ccc1C2c3ccc(cc3C(=O)O2)C#N)F F595280 c1cc(ccc1C2c3ccc(cc3C(=O)O2)C(=O)N)F F595290 c1cc(ccc1C2c3ccc(cc3C(=O)O2)C(=O)O)F F595300 c1cc(cc(c1)F)C2CNC2 F595305 c1cc(ccc1C2CNC2)F F595310 Cc1ccc(c(c1)C)C(c2ccc(cc2)F)O F595320 c1cc(ccc1CCBr)F F595340 [2H]C([2H])(c1ccc(cc1)F)C([2H])([2H])Br F595342 [2H]C([2H])(c1ccc(cc1)F)C([2H])([2H])O F595347 CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)C=O F595350 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C=O F595365 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CO F595380 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C F595400 c1ccc(cc1)COc2ccc(cc2)[C@@H](C3(CCC(=O)CC3)C(=O)Nc4ccc(cc4)F)O F595410 c1ccc(cc1)COc2ccc(cc2)[C@H]3N(C(=O)[C@@]34CCC(=O)CC4)c5ccc(cc5)F F595420 CN1CCC(CC1)C(=O)c2ccccc2F.Cl F595450 [2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C)[2H] F595502 [2H]c1c(c(c(c(c1OCC(=O)O)[2H])[2H])F)[2H] F595512 [2H]c1c(c(c(c(c1OCC(=O)OCC)[2H])[2H])F)[2H] F595522 [2H]c1c(c(c(c(c1OCC(C#C)OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])[2H])[2H])F)[2H] F595532 [2H]c1c(c(c(c(c1OCC(=O)N(C)OC)[2H])[2H])F)[2H] F595542 [2H]c1c(c(c(c(c1OCC(=O)/C=C/N(C)OC)[2H])[2H])F)[2H] F595552 CC(c1cccc(c1)F)N F595560 c1cc(ccc1CNc2ccc3c(n2)[nH]c(=O)[nH]3)F F595570 [2H]c1c(c(c(c(c1CNc2ccc3c(n2)[nH]c(=O)[nH]3)[2H])[2H])F)[2H] F595572 CCC(=O)c1ccccc1F F595595 CCC(=O)c1cccc(c1)F F595600 c1cc2c(cc1F)c(c[nH]2)CC(C(=O)O)N F595700 C#Cc1ccc(cc1)F F595705 [2H]c1c(c(c(c(c1[2H])[2H])C(CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597102 CN(CCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] F597105 CN(CCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F)C(=O)CCC(=O)O F597110 c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCBr)/c4cc(ccc4S2)C(F)(F)F F597950 c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCBr)/c4cc(ccc4S2)C(F)(F)F F597960 c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F597980 c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F597981 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F F597982 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O F693400 CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O F693401 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O F693402 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O F693410 *C(C1CCC([C@H](O1)O[C@H]2[C@@H](C([C@@H](CC2N)N)O[C@@H]3[C@@H](C([C@@](CO3)(C)O)NC)O)O)N)N* G360602 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.[Cl-] G362500 [2H]C([2H])([2H])[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1)C([2H])([2H])[2H].[Cl-] G362502 C(CC(=O)N)[C@@H](C(=O)O)N G597000 C(CC(=O)[15NH2])[C@@H](C(=O)O)N G597002 C(C[13C](=O)N)[C@@H](C(=O)O)N G597003 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N G597100 C[C@@H](c1ccc2c(c1)NCCO2)NC(=O)/C=C/c3ccccc3F F595708 c1cc(ccc1C2c3ccc(cc3CO2)C#N)F F595710 [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C=O)C([2H])([2H])[2H] F595712 c1ccc(cc1)C2COC(=O)N2C(=O)CCCC(c3ccc(cc3)F)O F595713 CC(C)c1c(c(nc(n1)SC)c2ccc(cc2)F)CO F595714 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O F595715 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccccc5O)[2H])[2H] F595716 CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O F595717 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccc(cc5)O)[2H])[2H] F595718 CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)CO F595719 [2H]c1c(c(c(c(c1/N=C/c2ccc(cc2)O)[2H])[2H])F)[2H] F595722 CC(=O)NC(CSc1ccc(cc1)F)C(=O)O F595725 [2H]C([2H])([2H])C(c1c(c(nc(n1)SC)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] F595732 CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccccc3OCc4ccccc4 F595735 [2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccccc2OCc3ccccc3)C(=O)c4ccc(cc4)F)[2H])[2H] F595736 CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccc(cc3)OCc4ccccc4 F595737 [2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccc(cc2)OCc3ccccc3)C(=O)c4ccc(cc4)F)[2H])[2H] F595738 COc1cc(ccc1O)OC[C@@H]2CNCC[C@H]2c3ccc(cc3)F F595740 c1ccc(cc1)CC(CF)N F595745 CSc1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4ccc(cc4)F F595750 c1cc(ccc1CCOc2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N)F F595755 CN1CC[C@H]([C@@H](C1)COc2ccc(c(c2)OC)OCc3ccccc3)c4ccc(cc4)F F595765 Cc1cc2c(nc(=O)[nH]c2s1)c3ccccc3F F595770 c1cc(ccc1Nc2c3c([nH]cn3)ncn2)F F595775 CC1=N/C(=C/c2ccc(cc2)F)/C(=O)O1 F595785 c1ccc(c(c1)CC2CCCCNC2)F F595790 c1cc(ccc1N2CCNCC2)F F595795 COc1ccc(cc1O)OC[C@@H]2CNCC[C@H]2c3ccc(cc3)F F595800 c1ccn(c(=O)c1)c2ccc(cc2)F F595810 c1cc(ccc1C(=O)C(=O)c2ccncc2)F F595815 c1cc(sc1)C(=O)c2ccc(cc2)F F595820 c1ccc(c(c1)c2[nH]nnn2)F.Cl F595825 c1ccc(c(c1)c2[n-]nnn2)F.[Na+] F595826 c1cc2c(cc1F)onc2C3CCNCC3 F595830 c1cc2c(cc1F)c(no2)C3CCNCC3.Cl F595835 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)COC(=O)C F595840 B(c1cnccc1F)(O)O F595845 c1cc(cnc1)/C=C(/C(=O)O)\F F595850 C[C@H](c1c(cccn1)F)N.Cl F595860 [2H]C([2H])([2H])[C@H](c1c(cccn1)F)N.Cl F595862 C[C@@H](c1c(cccn1)F)N.Cl F595865 [2H]C([2H])([2H])[C@@H](c1c(cccn1)F)N.Cl F595867 CC(=O)Oc1cc2c(s1)CCN(C2)C(c3cccc(c3)F)C(=O)C4CC4.Cl F595870 [2H]c1c(c(c(c(c1[2H])F)[2H])C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H].Cl F595872 CC(=O)Oc1cc2c(s1)CCN(C2)C(c3ccc(cc3)F)C(=O)C4CC4.Cl F595875 [2H]c1c(c(c(c(c1C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H])[2H])F)[2H].Cl F595877 c1cc(cnc1)/C=C/C=C(/C(=O)O)\F F595880 c1ccc2c(c1)c(ccn2)F F595885 c1cc(c(cc1N)F)N2CCOCC2 F595895 Cc1ccc2cc(ccc2n1)F F595900 c1cc(c(c(c1)F)C=O)O F595905 c1cc(c(cc1O)O)F F595915 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2)C)C([2H])([2H])N3CCC(CC3)c4c5cc(ccc5on4)F F595927 [2H]c1c(c(c(c(c1F)[2H])[2H])SC)[2H] F595942 c1cc(c(cc1C(=S)N)F)C(F)(F)F F595950 c1ccc(cc1)C(=O)OCc2ccc(cc2F)C3(N=N3)C(F)(F)F F595955 c1cc(c(cc1F)C(F)(F)F)CN F595960 c1c(cc(cc1C(F)(F)F)F)CC(=O)O F595965 Cc1c(sc(n1)c2ccc(c(c2)F)C(F)(F)F)CCl F595970 Cc1c(sc(n1)c2ccc(c(c2)F)C(F)(F)F)CO F595975 c1cc(c(cc1S(=O)(=O)N)S(=O)(=O)C(F)(F)F)F F595980 c1ccc(c(c1)F)S(=O)(=O)C(F)(F)F F595985 CCCCCCCCCCCC1=NCCc2c1ccc(c2)F F595990 c1ccc(c(c1)F)SC(F)(F)F F595995 c1c(c(=O)[nH]c(=O)[nH]1)F F596000 c1c(c(=O)[15nH][13c](=O)[15nH]1)F F596002 [2H]c1c(c(=O)[nH]c(=O)[nH]1)F F596003 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F F596010 c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F F596012 c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc4ccc(c(c4)S(=O)(=O)[O-])/C=C/c5ccc(cc5S(=O)(=O)[O-])Nc6nc(nc(n6)N7CCOCC7)Nc8ccccc8.[Na+].[Na+] F596080 C(=C(/C(=O)O)\F)\NC(=O)N F596200 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)F F596500 c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@H](C([C@H](O2)CO)O)O)F F596502 CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C F596600 CO/N=C(\c1ccccc1Oc2c(c(ncn2)Oc3ccccc3Cl)F)/C4=NOCCO4 F596700 [2H]C1(C(ON=C(O1)/C(=N/OC)/c2ccccc2Oc3c(c(ncn3)Oc4ccccc4Cl)F)([2H])[2H])[2H] F596702 [2H]c1c(c(c(c(c1[2H])Oc2c(c(ncn2)Oc3ccccc3/C(=N\OC)/C4=NOCCO4)F)Cl)[2H])[2H] F596703 CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597090 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597092 CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597095 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597097 CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597100 CS(=O)(=O)SCCN1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F F598000 CS(=O)(=O)SCCN1CCN(CC1)CC/C=C/2\c3ccccc3Sc4c2cc(cc4)C(F)(F)F F598010 c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F598050 C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)OC(=O)C F598150 [2H]C([2H])([2H])C(=O)O[C@@H](C)C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O F598152 c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO F598400 [2H]C1(C(N(C(C(N1CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] F598402 c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O F598410 c1ccc2c(c1)N(c3cc(ccc3S2=O)C(F)(F)F)CCCN4CCN(CC4)CCO F598415 [2H]C1(C(N(C(C(N1CCCN2c3ccccc3S(=O)c4c2cc(cc4)C(F)(F)F)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] F598417 CCOC(=O)Nc1ccc(nc1N)NCc2ccc(cc2)F.C(=C\C(=O)O)\C(=O)O F598510 [2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)NC(=O)OCC)[2H])[2H])F)[2H].Cl F598512 CC(=O)OCC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O F598600 C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F F598650 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O F598700 [2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccccc2)C(=O)O F598702 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC(C)OC(=O)C F598710 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F598715 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OS(=O)(=O)O F598760 C(C(=O)O)Oc1c(c(c(c(n1)F)Cl)N)Cl F598780 C[Si](Cn1cncn1)(c2ccc(cc2)F)c3ccc(cc3)F F598800 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] F598850 [2H]C([2H])([2H])C([2H])(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C([2H])([2H])[2H] F598852 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)[C@H](C)NC(=O)c8ccc(c(c8)C(=O)O)c9c1ccc(cc1oc-1cc(=O)ccc91)O)C)OC(=O)C F599400 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C)F F599490 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C)F F599492 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)O F599495 [2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)O F599497 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF F599500 [2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF F599505 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F F599510 [2H]c1c(c(oc1[2H])C(=O)O[C@@]2([C@@H](C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)C)C(=O)SC([2H])([2H])F)[2H] F599512 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O[C@@]5([C@@H](C[C@@H]6[C@@]5(C[C@@H]([C@]7([C@H]6C[C@@H](C8=CC(=O)C=C[C@@]87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F F599520 c1ccc(c(c1)C(Cn2cncn2)(c3ccc(cc3)F)O)F F599700 CCn1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601240 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601242 CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601245 CC(C)n1c2ccccc2c(c1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)c3ccc(cc3)F F601246 CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601250 [2H]c1cc(c2c(c1)c(c(n2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)[2H].[Na+] F601252 CC(C)n1c2ccccc2c(c1/C=C/[C@@H]3C[C@H](CC(=O)O3)O)c4ccc(cc4)F F601255 CC(C)n1c2ccccc2c(c1/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C)c4ccc(cc4)F F601260 CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c3ccc(cc3)F F601270 CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)OC)O)O)c3ccc(cc3)F F601275 c1cc(ccc1/C(=N/OCCN)/CCCC(=O)O)C(F)(F)F F603490 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O F603500 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F F603501 [2H]C([2H])([2H])OCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O F603502 COCCCC/C(=N/OCCN)/c1ccc(cc1)C(F)(F)F F603505 COCCCC/C(=N\OCCNC(=O)/C=C\C(=O)O)/c1ccc(cc1)C(F)(F)F F603510 COCCCCC(=O)c1ccc(cc1)C(F)(F)F F603700 C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)c6ccccc6)OC(=O)C)NC(=O)C F619940 C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)c6ccccc6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F619950 C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C F619970 C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F619980 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5)NC(=O)C)OC(=O)c6ccccc6)O)OC(=O)C F619990 c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCCCC(CO)CO F620000 c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)O F620400 c1ccc2c(c1)-c3ccccc3C2COC(=O)Nc4cccc(c4)CC(=O)O F620825 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)OC(=O)c4ccccc4 F622710 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6c4cccc6)OC(=O)c7ccccc7 F622750 COCCCC/C(=N\OCCNC(=O)OCC1c2ccccc2-c3c1cccc3)/c4ccc(cc4)C(F)(F)F F623000 COCCCC/C(=N/OCCNC(=O)OCC1c2ccccc2-c3c1cccc3)/c4ccc(cc4)C(F)(F)F F623001 CC(C)(C)OC(=O)C(CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)OC(C)(C)C F625000 CC(C)(C)OC(=O)C(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)OC(C)(C)C F625010 c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4c[nH]c5c4ccc(c5)Cl)C(=O)O F628000 c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4c[nH]c5c4ccc(c5)Cl)C(=O)O F628005 COc1cc(c(cc1OC)[N+](=O)[O-])COC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 F628850 c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCCCNC(=N)N)C(=O)O.Cl F633750 c1ccc2c(c1)-c3ccccc3C2COC(=O)ON4C(=O)CCC4=O F634000 [2H]C([2H])([2H])C(C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3 F641502 c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCC(=O)NCCNc4cccc5c4cccc5S(=O)(=O)O)C(=O)O F647500 CN(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3.Cl F648400 [13CH3][13CH2][13CH2][13CH2][13C@@H]([13C](=O)O)[15NH]C(=O)OCC1c2ccccc2-c3c1cccc3 F648502 COc1cc(cc(c1CNC(=O)OCC2c3ccccc3-c4c2cccc4)OC)OCCCCC(=O)O F657500 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)O F667750 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)COC(=O)C)OC(=O)C)OC(=O)C F667900 C[C@H]([C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F667920 CC1(CC(CC([NH+]1[O-])(C)C)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F675000 C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O F676000 Cc1ccc(cc1)C(=O)COC(=O)[C@H]([C@@H](C)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 F676020 c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(C(=O)O)C(F)(F)F F678500 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6c4cccc6)O F679500 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cncc4CC[C@@H](C(=O)O)NC(=O)OCC5c6ccccc6-c7c5cccc7 F679800 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N F680300 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])NCc2c[nH]c-3nc(nc(=O)c3n2)N)[2H] F680302 c1cc(ccc1C(=O)N[13CH]([13CH2][13CH2][13C](=O)O)[13C](=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N F680303 [2H]C([2H])(c1c[nH]c-2nc(nc(=O)c2n1)N)Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O F680304 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2CC3CNc4c(c(=O)[nH]c(n4)N)N3C2 F680350 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N2CC3CNc4c(c(=O)[nH]c(n4)N)N3C2)[2H] F680352 COC1[C@@H](C([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H](C([C@@H]([C@H](O4)C(=O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] F683500 C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)O)C)O F685300 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)N4CCN(CC4)CC)n(n1)C F685400 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC F685402 c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl F691050 CC(=O)O.[13CH](=N)N F691502 c1cc(ccc1C(=O)O)NC=O F692100 C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O F692250 [2H]C([2H])([2H])N(/C=N/c1cccc(c1)OC(=O)NC)C([2H])([2H])[2H].Cl F692802 [13CH](=O)O F692902 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C F693100 COc1ccc(cc1)c2coc3cc(ccc3c2=O)O F693200 COc1ccc(cc1)c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O F693210 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F693415 C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)OS(=O)(=O)O)O F693420 CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)Nc3cc(ccc3O)C(CNC(C)Cc4ccc(cc4)OC)O.C(=C/C(=O)O)\C(=O)O F693425 Cc1c(c(=O)n(n1C)c2ccccc2)NC=O F695000 c1cc(cnc1)C(=O)CCCNC=O F695500 CCOC(=O)/C(=C\O)/NC=O F695690 CCO[13C](=O)/[13C](=C\O)/NC=O F695692 COc1ccc(cc1)C(CNC=O)C2(CCCCC2)O F695775 c1cc2c(cccc2S(=O)(=O)Cl)c(c1)NC=O F696500 c1c(c(n[nH]1)NC=O)C(=O)N F696750 CCOC(=O)c1c[nH]nc1NC=O F696760 Cc1c(c(=O)n(n1C)c2ccccc2)C=O F696850 [2H]C([2H])([2H])n1c(c(c(=O)n1c2ccccc2)C=O)C F696852 c1cc-2c(cnc2[nH]c1)C=O F697200 c1cc(ccc1C=O)C(=O)O F697400 COC(=O)c1ccc(cc1)C=O F697410 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC)C=O F697750 CCOC(=O)C(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC=O F697800 c1ccc(c(c1)/C=C/C(=O)O)C=O F698530 COC(=O)/C=C/c1ccc(cc1)C=O F698540 c1c2c(cc(c1F)N3CCN(CC3)C=O)n(cc(c2=O)C(=O)O)C4CC4 F698950 C1[C@@H]([C@H](OC1NC(=O)NC(=N)NC=O)CO)O F698980 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)C=O)\C)C)O)C)O)C)O)C)OC)C)O F699000 [2H]C([2H])([2H])Oc1ccc2c(c1)[C@]34CCCC[C@@H]3[C@H](C2)N(CC4)C=O F699017 CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)NC=O F699030 [2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)NC=O)([2H])[2H])[2H] F699032 c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)NC=O F699200 COc1c(cnc(n1)OC)C=O F700100 CC1(OCc2cc(ccc2O1)C=O)C F700200 c1ccc2c(c1)[C@H](CC[C@H]2NC=O)c3ccc(c(c3)Cl)Cl F700225 Cc1c(c([nH]c1C=O)C)CCC(=O)OC F700250 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2c[nH]c-3nc(nc(=O)c3n2)N)C=O F700450 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N(Cc2c[nH]c-3nc(nc(=O)c3n2)N)C=O)[2H] F700452 CCOC(=O)CNC=O F700460 CCO[13C](=O)[13CH2]NC=O F700462 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)O)O)OC=O F700470 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@@H]([C@@H]1CC[C@H](CCc2ccccc2)O)OC=O)O F700475 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)OC=O)O)O F700480 c1cc(oc1C=O)C(=O)O F700500 C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C F700515 C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C F700520 c1ccc2c(c1)CCN2C=O F700530 CC1C[C@H]([C@H](OC1=O)[C@H](C[C@@H](C)C/C(=C/[C@@H](CC=C)C(=O)C[C@@H]([C@@H](C)[C@@H](/C(=C/[C@@H]2CC[C@H]([C@H](C2)OC)O)/C)OC(=O)[C@@H]3CCCCN3C=O)O)/C)OC)OC F700545 CC(C)C[C@@H](C(=O)O)NC=O F700560 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)NC=O F700562 CCCCCCCCCCC[C@@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700565 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@H]1C[C@H](OC(=O)[C@H]1CCCCCC)CCCCCCCCCCC)NC=O F700567 CCCCCCCCCCC[C@@H]1C[C@H]([C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700570 CCCCCCCCCCC[C@@H](C/C=C/CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700575 CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O F700590 CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O F700600 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]([C@H](CCCCCC)C(=O)O)O)NC=O F700602 CC[C@]12C[N@]3CCc4c5ccccc5[nH]c4[C@](C[C@H](C3)[C@H]1O2)(c6cc7c(cc6OC)N([C@@H]8[C@]79CCN1[C@H]9[C@@](C=CC1)([C@H]([C@@]8(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC F700650 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C=O)Cl)CC1 F700680 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4C=O)Cl)CC1 F700690 CC(Cc1ccccc1)N(C)C=O.Cl F700700 [2H]C([2H])([2H])N(C=O)C(C)Cc1ccccc1 F700702 C[C@H](Cc1ccccc1)N(C)C=O F700705 [2H]C([2H])([2H])N(C=O)[C@H](C)Cc1ccccc1 F700707 C[C@@H](Cc1ccccc1)N(C)C=O F700710 [2H]C([2H])([2H])N(C=O)[C@@H](C)Cc1ccccc1 F700712 Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N(C=O)C(=O)C5CCC(CC5)(F)F)C(C)C F700715 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N(C=O)C(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H] F700717 COc1ccc(cc1)CN(CCNC=O)c2ccccn2 F700720 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)NC=O)C F700740 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)NC=O)C([2H])([2H])[2H] F700742 CC1([C@@H]([C@@H](C(N1O)(C)C)C(=O)OC)C=O)C F700760 COc1cc(ccc1C=O)OCCCC(=O)O F700785 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)C=O)C(=O)OC)OC(=O)C F700790 C1C(CC(=O)NC1=O)CC=O F700800 Cc1ncc(cn1)C=O F700810 CC1(OC(=O)C(=CO)C(=O)O1)C F700820 Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)C=O F700830 COC(=O)c1cc(cnc1)C=O F700850 c1ccc(c(c1)Nc2c(cc(s2)C=O)C#N)[N+](=O)[O-] F700860 c1cc(cnc1)C2CCCN2C=O F700875 c1ccc2c(c1)CC(=O)c3ccccc3N2C(=O)NC=O F700880 c1ccc2c(c1)cc(c3c2cccc3)C=O F700885 COc1ccc(cc1)C[C@H]2C3=C(CCCC3)CCN2C=O F700890 [2H]C([2H])([2H])Oc1ccc(cc1)C[C@H]2C3=C(CCCC3)CCN2C=O F700892 CC(c1ccc(cc1)C=O)C(=O)O F700900 CC(C)(C)OC(=O)N1CCC(CC1)C=O F700925 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC=O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)OCC)C)C)([2H])[2H])O F700932 C([C@@H]1[C@H]([C@H](C(O1)NC(=O)NC(=N)NC=O)O)O)O F700940 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)C=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O F700950 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C=O F701010 c1cc(sc1C=O)C(=O)O F701050 CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)C=O F701100 [2H]C([2H])([2H])N(C)CC(C)CN1c2ccccc2CCc3c1ccc(c3)C=O F701152 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)NC=O F701300 c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C[C@@H](C(=O)O)NC=O F701302 COc1ccc(c(c1OC)OC)CN2CCN(CC2)C=O F701400 c1c(c(=O)[nH]c(=O)[nH]1)C=O F701500 CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC=O F701570 c1cnc2cc3c(cc2n1)C4CC3CN(C4)C=O F701650 CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O F701800 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)c3ccc(cc3)N.[Ca+2] F727250 [2H]C1(CC(C(O1)([2H])[2H])OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)N)OP(=O)([O-])[O-])[2H].[Ca+2] F727252 C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)n(n3)P(=O)(O)O)c4ccc(cc4)F F727300 C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+] F727400 C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Na+].[Na+] F727500 [13CH3][13CH]1[13CH](O1)P(=O)(O)O.c1ccc(cc1)CN F727502 CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+] F727800 [2H]c1c(c(c(c(c1[2H])[2H])CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)OC(C(C)C)OC(=O)CC)[2H])[2H].[Na+] F727802 CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4CCCCC4 F727805 c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)[O-].[Na+].[Na+] F727810 [2H]c1c(c(c(c(c1[2H])[2H])CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)O)[2H])[2H].[Na+] F727812 c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4CCCCC4)O F727820 CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+] F727825 CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3.[Na+] F727830 C(CN(C=O)O)CP(=O)(O)[O-].[Na+] F728500 c1ccc(cc1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])c3ccccc3.[Na+].[Na+] F728900 C(CC(=O)O)C(C(=O)O)/N=N\C=O F735500 CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)([O-])[O-])C.[Na+].[Na+] F745500 CS(=O)(=O)O.c1cc(ccc1CC(=O)O)OC(=O)c2ccc(cc2)NC(=N)N F754500 c1ccc(cc1)COC(=O)Cc2ccc(cc2)OC(=O)c3ccc(cc3)NC(=N)N.Cl F754510 CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)F F755400 [2H]C([2H])(CCCC([2H])([2H])NC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)CCCCCCCCCP(=O)(OCC)F F755402 CN1CCC=C(C1)c2c(nsn2)SCCCF F756500 CC(=O)N(CCCP(=O)(O)[O-])O.[Na+] F763500 CN[C@@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1.C(CC(=O)O)C(=O)O.O F768500 [2H]C([2H])([2H])NC1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1.C(CC(=O)O)C(=O)O.O F768502 CN[C@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1 F768505 c1c(ncc(n1)[C@H]([C@@H]([C@@H](CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O F785000 C1[C@H]([C@@H](C([C@](O1)(CO)O)O)O)O F792500 C[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792520 C1[C@H]([C@H]([C@@H](C(O1)(CN[C@H](CC(=O)N)C(=O)O)O)O)O)O F792525 CC(C)C[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792540 c1ccc(cc1)C[C@H](C(=O)O)NCC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O F792560 C1C[C@@H](N(C1)CC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O)C(=O)O F792565 c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NCC3([C@H]([C@@H]([C@@H](CO3)O)O)O)O F792580 CC(C)[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792595 CC(=O)N[C@@H](C(=O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)C(C)(C)SN=O F795500 c1ccc2c(c1)c(=O)c3c(o2)c4ccccc4oc3=O F795800 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N.Cl F805000 [2H]C([2H])(C(CCc1ccc(cc1)CCCCCCCC)(C([2H])([2H])O)N)O.Cl F805002 CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N F805005 CCCCCCCCc1ccc(cc1)CCC(CO)(COP(=O)(O)O)N F805010 [2H]C([2H])(C(CCc1ccc(cc1)CCCCCCCC)(C([2H])([2H])OP(=O)(O)O)N)O F805012 c1cc(ccc1CCC(CO)(CO)N)CC(=O)O.Cl F805015 c1cc(ccc1CCCCCCCC(=O)O)CCC(CO)(CO)N.Cl F805020 c1cc(ccc1CCCC(=O)O)CCC(CO)(CO)N.Cl F805025 c1cc(ccc1CCCCCC(=O)O)CCC(CO)(CO)N.Cl F805030 CCCCCCCCC(C)C#N F810200 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O F810500 Cc1ccc(c(c1)OCCOc2cc3cc(oc3cc2N(CC(=O)[O-])CC(=O)[O-])c4ncc(o4)C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+] F822500 Cc1ccc(c(c1)OCCOc2cc3cc(oc3cc2N(CC(=O)[O-])CC(=O)[O-])/C=C/4\C(=O)NC(=S)N4)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] F822510 CC1[C@H]([C@@H](C([C@@H](O1)OC2[C@H]([C@H](C(O[C@H]2O)CO)O)O)O)O)O F823500 CC1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@H](C(O[C@H](C2O)O)CO)O)O)O)O F823510 CC1[C@@H]([C@H](C([C@H](O1)O[C@@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O F823520 CC1[C@H]([C@@H](C([C@H](O1)N)O)O)O F835750 CC1[C@H]([C@@H](C([C@@H](O1)O)O)O)O F836100 CC1(C[C@H]([C@H](C(N1O)(C)C)C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F860850 CC1(C[C@@H]([C@H](C(N1O)(C)C)C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F860860 C[C@]12CC[C@@H]3c4ccc(cc4C[C@@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862495 C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862500 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]2CC1([2H])[2H])CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O)C)O F862502 C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O F862510 C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862515 C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)OS(=O)(=O)[O-].[Na+] F862520 C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)O F862525 C[C@]12CC[C@@H]3c4ccc(cc4C=C([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862530 CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C F862650 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O F862750 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@H]([13CH2][13C](=O)O)C(=O)O)OC(=O)C[C@@H]([13CH2][13C](=O)O)C(=O)O F862752 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O F862755 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@H]([13CH2][13C](=O)O)C(=O)O)OC(=O)C[C@@H]([13CH2][13C](=O)O)C(=O)O F862757 c1cc(oc1/C=C/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] F863000 c1cc(oc1/C=N/N2CC(OC2=O)CN3CCOCC3)[N+](=O)[O-].Cl F863400 [2H]C1(C(OC(C(N1CC2CN(C(=O)O2)/N=C/c3ccc(o3)[N+](=O)[O-])([2H])[2H])([2H])[2H])([2H])[2H])[2H] F863402 c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=N)N)C(=N)N F863600 [2H]c1c(c(c(c(c1c2ccc(o2)c3c(c(c(c(c3[2H])[2H])C(=N)N)[2H])[2H])[2H])[2H])C(=N)N)[2H] F863602 [2H]c1c(c(oc1[2H])[2H])[2H] F863652 c1cc(oc1C(=O)O)C(=O)O F863750 CCOC(=O)c1ccc(o1)C(=O)OCC F863760 [2H]C([2H])(c1ccoc1)O F864002 c1cc(oc1)c2cn(c(=O)[nH]c2=O)[C@H]3CC([C@H](O3)CO)O F864030 c1c2cc(oc2cc(c1OCC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])c3ncc(o3)C(=O)[O-].[K+].[K+].[K+].[K+] F864045 C=CCc1ccc(cc1)O[C@H]2C([C@H]([C@@H](C(O2)CO[C@H]3[C@H](C(CO3)(CO)O)O)O)O)O F864060 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5c(non5)C4)C F864080 c1cc(oc1/C=N/N2CCOC2=O)[N+](=O)[O-] F864100 [2H]C1(C(OC(=O)N1/N=C/c2ccc(o2)[N+](=O)[O-])([2H])[2H])[2H] F864102 CCOC(=O)C1(CCN(CC1)CCOCC2CCCO2)c3ccccc3.Cl F864130 [2H]C1(CC(CC(N1CCOCC2CCCO2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H].Cl F864132 CC(Cc1ccccc1)N(C)Cc2ccco2 F864160 [2H]C([2H])([2H])N(Cc1ccco1)[C@@H](C)Cc2ccccc2 F864162 c1cc(oc1)CO F864220 [2H]C([2H])(c1ccco1)O F864222 c1cc(oc1)CN F864260 c1cc(oc1)CS F864300 [2H]C([2H])(c1ccco1)S F864302 CC(=O)SCc1ccco1 F864600 [2H]C([2H])(c1ccco1)SC(=O)C F864602 CCC1Cc2cc(ccc2O1)CC(=O)O F864700 [2H]C([2H])([2H])CC1Cc2cc(ccc2O1)CC(=O)O F864702 c1cocc-2oc(=O)cc12 F864800 C[C@@H]([C@H](C)O)C([C@@H]1C[C@H]2CO[C@H]([C@@H]([C@@H]2O1)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O.[Na+] F864850 c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl F865000 [2H]c1c(c(oc1[2H])C([2H])([2H])Nc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl)[2H] F865002 c1cc(oc1)CNc2cc(c(cc2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl F865010 C=CCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)c2cc(c(cc2NCc3ccco3)Cl)S(=O)(=O)N)O)O)O F865020 CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)CO F865300 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C F865500 [2H]C([2H])([2H])C(=CCC/C(=C/1\[C@@H]2C[C@H]([C@H]3[C@]4(CC[C@H]([C@H]([C@@H]4CC[C@@]3([C@]2(C[C@H]1OC(=O)C)C)C)C)O)C)O)/C(=O)O)C([2H])([2H])[2H] F865502 c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc[nH]c4=O)O)O F866500 C1C(C=CC=C1C(=O)O)N.Cl G111000 C1CCC(CC1)(CC(=O)O)CN G117250 [2H]C([2H])(C(=O)O)C1(CCCCC1)C([2H])([2H])N G117252 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(CC(=O)O)CN)[2H] G117253 C1CCC2(CC1)CC(=O)NC2 G117275 C1CCC(CC1)(CC(=O)O)C(=O)O G117278 C1CCC(CC1)(CC#N)C#N G117280 C1CCC2(CC1)CC(=O)N(C2)CC3(CCCCC3)CC(=O)O G117285 C1CCC(CC1)(CC(=O)O)C(=O)O G117290 COc1ccc(cc1)c2ccc(=N)n(n2)CCCC(=O)O G122500 CCOC(=O)CCCn1c(=N)ccc(n1)c2ccc(cc2)OC G122505 CCOC(=O)c1ccc(cc1)OC(=O)CCCCCNC(=N)N.CS(=O)(=O)O G122800 c1ccc(cc1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+8] G125700 CC(=O)OC[C@@H]([C@H]1[C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G138000 C1=CO[C@@H]([C@@H]([C@@H]1O)O)CO G151000 CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C G152000 CC(=O)NC\1[C@H]([C@H](C(O/C1=N\OC(=O)Nc2ccccc2)CO)O)O G153200 CC1(O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O1)CO)O)O)OC G153875 C(C1[C@@H]([C@@H](C([C@@H](O1)N)O)O)O)O G154475 C1[C@H]([C@@H](C([C@@H](O1)O)O)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O G154500 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)CO)O)O)O)O)O)O G154700 C(C1[C@@H]([C@@H](C([C@H](O1)O[C@H]2[C@H](C(O[C@H](C2O)O)CO)O)O)O)O)O G154750 C(C1[C@@H]([C@@H](C([C@H](O1)O[C@@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O G154755 C(C1[C@@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O G154850 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G154860 CS(=O)(=O)SCCNC(=O)N[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O G154880 C(CCCCO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCCC(=O)O G154920 C(CCCCO[C@@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCCC(=O)O G154930 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O.Cl G155000 C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O)O G155250 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G155700 C(C1[C@@H]([C@@H](C([C@@H](N1)OS(=O)O)O)O)O)O G156500 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O[Si](C)(C)C(C)(C)C G184875 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184930 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184950 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184960 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O G185000 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O G185075 [C@@H]1([C@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O.O G186500 CN1CC[C@@]23C=CC(=O)C[C@@H]2Oc4c3c(ccc4OC)C1 G188500 CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O G188501 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCN(C2)C)C=C[C@@H](C4)O G188502 [2H]C([2H])([2H])N1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC([2H])([2H])[2H])C1)O G188503 CN1CC[C@]23C=C[C@H](C[C@H]2Oc4c3c(ccc4OC)C1)O G188505 CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O G188515 C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O)[O-] G188525 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](C2)(C)[O-])C=C[C@@H](C4)O G188527 CN1CC[C@@]23C=CC(=O)C[C@@H]2Oc4c3c(ccc4OC)C1 G188550 C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3C[C@@H]4[C@]5(CCN(Cc6c5c(c(cc6)OC)O4)C)C=C3 G188560 C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3C[C@H]4[C@@]5(CCN(Cc6c5c(c(cc6)OC)O4)C)C=C3 G188561 c1c(cc(c(c1O)O)O)C(=O)O.O G188900 c1ccc(cc1)COC(=O)c2cc(c3c(c2)OC(O3)(c4ccccc4)c5ccccc5)O G188950 c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)OCc4ccccc4)C(=O)O G188975 c1c(cc(c(c1O)O)O)[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O G188990 CC1COCc2c1cc3c(c2)C(C(C3(C)C)C)(C)C G189000 CC1COCc2c1cc3c(c2)C(C(C3(C)C)C)(C)C G189001 CCCN1C[C@@H]([C@H]([C@]([C@@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)CC)(C)O)O)C G195000 c1nc2c(=O)[nH]c(nc2n1COC(CO)CO)N G235000 [2H]C([2H])(C([2H])(C([2H])([2H])O)OCn1cnc2c1nc([nH]c2=O)N)O G235002 CC(=O)OCC(CO)OCn1cnc2c1nc([nH]c2=O)N G235010 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)C)OCn1cnc2c1nc([nH]c2=O)N)O G235012 c1nc2c(=O)[nH]c(nc2n1COCOC(CO)CO)N G235015 C[C@@]1(CO[C@@H]([C@@H](C1NC)O)OC2[C@@H](CC([C@H]([C@@H]2O)O)N)N)O G245300 [2H]C1(C(C1([2H])[2H])n2cc(c(=O)c3c2c(c(cc3)c4ccc5c(c4)CN[C@@H]5C)OC(F)F)C(=O)O)[2H] G245502 CC1CN(CCN1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F G250000 [2H]C1(CN(C(C(N1)C)([2H])[2H])c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F)[2H] G250002 CCOC(=O)c1cn(c2c(c1=O)cc(c(c2OC)F)F)C3CC3 G250010 CC1(c2ccccc2[N+](=C1/C=C/C=C/3\C(c4ccccc4N3CCCCC(=O)NCCOCCOCCNCCO[C@@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)(C)C)C)C G265000 CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6.CS(=O)(=O)O G300000 COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F G304000 [2H]C([2H])([2H])Oc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F G304002 C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC G304500 c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305000 c1c[15n]([13c](=O)[15n]c1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305002 [13cH]1[13cH][15n]([13c](=O)[15n]c1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305003 c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F.C(=O)O G305010 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)n2ccc(nc2=O)N)(F)F)O G305015 CCN(CC)CC.c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F G305020 CCN(CC)CC.c1c[15n]([13c](=O)[15n]c1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F G305022 c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)(F)F.[NH4+].[NH4+].[NH4+] G305025 Cc1ccc(c(c1)C)OCCCC(C)(C)C(=O)O G305745 Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C G305750 [2H]C([2H])([2H])C(CCCOc1cc(ccc1C)C)(C(=O)O)C([2H])([2H])[2H] G305752 Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C G305760 [2H]C([2H])([2H])C(CCCOc1cc(ccc1C)C)(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C([2H])([2H])[2H] G305762 Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@H](C([C@@H](C(O2)C(=O)OCC=C)O)O)O)C G305765 Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@H](C([C@@H](C(O2)C(=O)OCc3ccccc3)O)O)O)C G305770 CO/N=C/1\CN(CC1CN)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F G336000 [2H]C([2H])(C\1CN([13CH2]/[13C]1=C\OC)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N G336002 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)C)n(n1)C G349960 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)OS(=O)(=O)[O-].[Na+].[Na+] G349980 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(c3c(c2)occ(c3=O)c4ccc(cc4)OS(=O)(=O)O)O)C(=O)OC)OC(=O)C G349985 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O G349990 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)c3coc4cc(cc(c4c3=O)O)O)O)O)O G349995 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O G350000 [2H]c1c(c(c(c(c1c2coc3c(c(c(c(c3c2=O)O)[2H])O)[2H])[2H])[2H])O)[2H] G350002 [2H]c1cc(cc(c1c2coc3cc(cc(c3c2=O)O)O)[2H])O G350005 [2H]c1c(c(c(c(c1c2coc3cc(cc(c3c2=O)O)O)[2H])[2H])O)[2H] G350010 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O G350015 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O G350035 COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O G360000 CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC G360585 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O G360590 CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N G360595 *C([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N*.OS(=O)(=O)O G360600 c1cc(c(cc1O)C(=O)[O-])O.[Na+] G363400 [2H]C([2H])([2H])[C@@]12CCCC[C@@]1([C@H](CCC2)C)O G364502 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C G367500 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C G367600 [2H]C([2H])([2H])/C(=C\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C G367602 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3)/C)/C)/C)C.[Br-] G367630 CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C G367750 CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 G368250 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4(C([C@@H]3CC2([2H])[2H])C=C[C@]4(C#C)O)CC)[2H] G368252 CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 G368260 CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)OS(=O)(=O)[O-])CCC4=CC(=O)CC[C@H]34.[Na+] G368265 CC[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#C)O G368800 [2H]C#C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CC(C(=O)C(=C4CC[C@@H]23)[2H])([2H])[2H])CC)O G368802 CC12[C@H](C=C[C@@]3(C1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O G377450 c1c(c(c[nH]c1=O)Cl)O G378000 c1c(=O)[nH][13cH][13c]([13c]1O)Cl G378002 CCCCCC(CC(=O)CCc1ccc(c(c1)OC)O)O G387200 CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O G387205 CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O G387425 CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O G387430 CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O G387435 CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)C)C)O)C)O[C@H]7C([C@H]([C@@H](C(O7)CO[C@H]8C([C@H]([C@@H](C(O8)CO)O)O)O)O)O)O)C G387600 c1cc[n+](cc1)CC(=O)NN.[Cl-] G388500 [2H]c1c(c([n+](c(c1[2H])[2H])CC(=O)NN)[2H])[2H].[Cl-] G388502 CCc1c2c(c(=O)nc([nH]2)c3cc(cnc3OCC)S(=O)(=O)N4CCN(CC4)CC)nn1CCOC.c1ccc(cc1)S(=O)(=O)O G388700 c1ccc(c(c1)C(=O)O)Nc2ccnc3c2ccc(c3)Cl G406490 [2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2ccnc3c2ccc(c3)Cl)[2H])[2H] G406492 c1ccc(c(c1)C(=O)OCC(CO)O)Nc2ccnc3c2ccc(c3)Cl G406500 [2H]c1c(c(c(c(c1[2H])C(=O)OCC(CO)O)Nc2ccnc3c2ccc(c3)Cl)[2H])[2H] G406502 c1ccc(c(c1)C(=O)OCC(CO)O)Nc2cc[n+](c3c2ccc(c3)Cl)[O-] G406510 [2H]c1c(c(c(c(c1[2H])C(=O)OCC(CO)O)Nc2cc[n+](c3c2ccc(c3)Cl)[O-])[2H])[2H] G406512 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C.CS(=O)(=O)O G407000 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C)([2H])[2H])[2H].CS(=O)(=O)O G407002 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 G409875 [2H]c1c(c(c(c(c1C)[2H])[2H])S(=O)(=O)NC(=O)NN2CC3CCCC3C2)[2H] G409877 Cc1ccccc1S(=O)(=O)NC(=O)NN2CC3CCCC3C2 G409880 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C)C G410145 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C G410150 [2H]C(C(C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C)([2H])[2H])([2H])[2H] G410152 CCC1=C(CN(C1=O)C(=O)NCCc2cc(ccc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C G410160 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 G410225 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cnc(cn3)C)([2H])[2H])([2H])[2H])[2H] G410227 Cc1cc(no1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3 G410600 [2H]C1(CCCCC(N1NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(on3)C)([2H])[2H])[2H] G410602 C1=CO[C@@H]([C@H]([C@@H]1O)O)CO G412500 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O G412800 [2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)N[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)C)[2H])[2H])Cl)[2H] G412802 C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N G413200 [C@H]1([C@H](C(=O)O[C@@H]1[C@@H](C(=O)O)O)O)O.O G415600 [13CH2]([13C@H]([13C@H]([13C@@H]([13C@H]([13CH2]O)O)O)O)O)O G415802 C([C@H]([C@H]([C@H]1C([C@@H](C(=O)O1)O)O)O)O)O G416500 C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O G417475 C(CC(=O)O)[C@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O G417500 c1ccc2c(c1)cnn3c2nnc3C(C(C(C(CO)O)O)O)O G418500 C(C1[C@H](C([C@@H]([C@H](O1)OCC2[C@H](C([C@@H]([C@H](O2)O[C@@H]3C(O[C@@H]([C@H](C3O)O)O[C@@H]4C(O[C@H]([C@H](C4O)O)O)CO)CO)O)O)O)O)O)O)O G419100 C(C1[C@H](C([C@@H]([C@H](O1)OCC2[C@H](C([C@@H]([C@H](O2)O[C@@H]3C(O[C@@H]([C@H](C3O)O)O[C@@H]4C(O[C@H]([C@H](C4O)O)O)CO)CO)O)O)O)O)O)O)O G419102 C(C1[C@H](C([C@@H]([C@@H](O1)O)O)O)O[C@@H]2[C@H](C([C@@H](C(O2)CO)O[C@@H]3[C@H](C([C@@H](C(O3)CO[13C@@H]4[13C@H]([13CH]([13C@@H]([13CH](O4)[13CH2]O)O)O)O)O)O)O)O)O)O G419103 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G419125 CC(=O)NC(C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(C)(C)SN=O G419525 C1[C@H]([C@@H](C([C@@](O1)(CO)O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O G423500 C([C@H]1[C@H](C(C([C@H](O1)OC2[C@H]([C@H](C(O[C@H]2O)CO)O)O)O)O)O)O G425000 c1ccc(cc1)NC(=O)O/N=C/2\[C@H](C([C@@H](C(O2)CO)O)O)O G432000 CS(=O)(=O)SCCNC(=O)N[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O G441000 C1C([C@H]([C@@H](C(N1)CO)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O G450000 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)Oc2ccc(cc2)[N+](=O)[O-])C(=O)OC)OC(=O)C G450200 C(C1[C@H]([C@@H](C([C@@H](O1)O)N)O)O)O.Cl G514950 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C G515000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C G515001 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O.O G515050 [13CH2]([13C@@H]1[13C@H]([13C@@H]([13C@H]([13CH](O1)O)N)O)O)OP(=O)(O)O.O G515052 C(C1[C@H]([C@@H](C([C@H](O1)OP(=O)(O)O)N)O)O)O G515060 C(C1[C@H]([C@@H](C([C@@H](O1)O)N)O)O)O G515100 [13CH2]([13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)[NH3+])O)O)O.[Cl-] G515102 c1ccc2c(c1)C(=O)N(C2=O)CC3CO3 G523000 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O G595000 [2H][13C@@]1([13C@]([13C](O[13C@@]([13C]1([2H])O)([2H])O)([2H])[13C]([2H])([2H])O)([2H])O)O G595001 [13CH2]([13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)O)O)O)O G595002 [2H]C([2H])(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O G595003 [2H][C@@]1([C@](C(O[13C@@](C1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O G595004 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596495 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596500 CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596510 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+] G596800 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+] G596805 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCC)O G596810 C(C1[C@H]([C@@H](C([C@@H](O1)OCC(CO)O)O)O)O)O G596820 C(C1[C@H]([C@@H](C([C@@H](O1)OC(CO)CO)O)O)O)O G596825 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)CO)OC(=O)C)OC(=O)C)OC(=O)C G596835 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N)O G596840 [C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O G596850 [13C@@H]1([13C@@H]([13CH](O[13C@H]([13CH]1O)O)[13C](=O)O)O)O G596852 CC(=O)O[C@H]1C=CO[C@H]([C@H]1OC(=O)C)C(=O)OC G596865 [C@H]1([C@@H](O[C@H]2C1OC(=O)[C@H]2O)O)O G596900 [C@@H]1([C@@H](O[C@@H]2C1OC(=O)[C@H]2O)O)O G596905 CP(=O)(CCC(C(=O)[O-])N)O.[NH4+] G596950 [2H]C([2H])([2H])P(=O)(CCC(C(=O)O)N)O.Cl G596952 C(CC(=O)O)C(C(=O)O)N G596955 C(CC(=O)O)[C@@H](C(=O)O)N G596960 [13CH2]([13CH2][13C](=O)O)[13C@H]([13C](=O)O)N G596962 [2H][C@@](C(=O)O)(C([2H])([2H])C([2H])([2H])C(=O)O)N G596963 C(CC(=O)O)[C@H](C(=O)O)N G596965 CC(C)(C)OC(=O)[C@H](CCC(=O)O)N G596980 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CS)N[13C](=O)[13CH2][13CH2][13C@@H]([13C](=O)O)[15NH2] G597102 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597200 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597250 C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2cc3ccccc3c(c2)OC)NC(=O)CCCC(=O)O G597500 [2H][C@@]1(C(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C)([2H])[2H])O G641357 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C G641390 C(C(=O)O)O G645600 [13CH2]([13C](=O)O)O G645602 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)C([C@@H](CO)O)O)NC(=O)CO)O G650000 C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[Br-] G656980 C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[I-] G657000 [2H]C([2H])([2H])[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[I-] G657002 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C G679550 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)([2H])[2H])O G679552 c1ccnc(c1)SSCCNC(=O)CN G710250 C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CNC(=O)CN G718450 c1cc(ccc1C[C@@H](C(=O)O)NC(=O)CNC(=O)CN)O G718500 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O G735000 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O G735010 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O G735150 CC(C)C[C@@H](C(=O)O)NC(=O)CN G750000 c1c2c(c(c3c1CCC3)N)CCC2 H294050 CC(C)C1CCCCCN1.Cl H294055 CC(C)CC1CCCCCN1.Cl H294060 c1cc2c(cc1O)[C@H]3[C@H](CC2)NCCO3.Cl H294070 c1cc2c(cc1O)[C@@H]3[C@@H](CC2)NCCO3.Cl H294075 CC1CCC(NCC1)c2ccccc2.Cl H294080 CC1CCC(NCC1)c2ccncc2.Cl H294085 c1cc(cnc1)C2CCC(CCN2)C(F)(F)F.Cl H294095 CC1CCC(CNC1)(C)C.Cl H294115 COc1ccc2c(c1)[C@H]3[C@H](CC2)NCCO3.Cl H294120 COc1ccc2c(c1)[C@@H]3[C@@H](CC2)NCCO3.Cl H294125 CC1CCCCCN1.Cl H294130 CC1CCCNCC1 H294135 COc1ccc(cc1)C2OC[C@@H]3C[C@H]4[C@@H]([C@@H]3O2)O4 H294140 COc1ccc2c(c1)[C@H]3[C@H](CC2)NC(=O)CO3 H294145 C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCC(=O)O G597600 C(CC(=O)N[C@@H](CS)C(=O)[15NH][13CH2][13C](=O)O)[C@@H](C(=O)O)N G597950 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597951 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597970 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)[15NH][13CH2][13C](=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)[15NH][13CH2][13C](=O)O)[C@@H](C(=O)O)N G597972 COC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)N)NC(=O)CC[C@@H](C(=O)OC)N G597975 C1COP(=O)(NC1SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)N(CCCl)CCCl G597980 [2H]C([2H])(CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Cl G597982 c1ccc2c(c1)c(c[nH]2)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N G597985 C(C[13C](=O)O)C[13C](=O)O G598002 CNc1ccc(cc1NC(=O)CCCC(=O)O)[N+](=O)[O-] G598050 [2H]C([2H])([2H])Nc1ccc(cc1NC(=O)CCCC(=O)O)[N+](=O)[O-] G598052 C1C[13C](=O)O[13C](=O)C1 G598072 C(C[13C]#N)C[13C]#N G598102 [2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C#N G598103 COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl G598350 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl)([2H])[2H])([2H])[2H])[2H] G598352 C(C(CO)O)O G598400 [2H]C([2H])(C([2H])(C([2H])([2H])O)O)O G598402 C([C@H](C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O)O G598490 C([C@@H](C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O)O G598495 C1CCC(CC1)N.C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O)O G598580 C1CCC(CC1)N.C(C(COP(=O)(O)O)O)O G598750 C1CCC(CC1)N.[13CH2]([13CH]([13CH2]OP(=O)(O)O)O)O G598752 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O G601490 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC G601492 C(C(CI)O)O G601495 C(C1[C@@H]([C@@H](C([C@@H](O1)OC[C@@H](CO)O)O)O)O)O G601500 C(C1[C@@H]([C@@H](C([C@@H](O1)OC[C@H](CO)O)O)O)O)O G601505 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC G601520 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC G601535 C1C(O1)C(=O)N G615250 [13CH2]1[13CH](O1)[13C](=O)N G615253 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1CO1 G615600 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[2H] G615602 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1 G615650 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[2H] G615652 C1C(O1)CO G615700 [2H]C1(C(O1)([2H])C([2H])([2H])O)[2H] G615702 CCCCCCCCCCCC(=O)OCC1CO1 G615705 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCC)[2H] G615707 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC1CO1 G615710 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[2H] G615712 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1CO1 G615720 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[2H] G615722 CCCCCCCCCCCCCC(=O)OCC1CO1 G615800 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCC)[2H] G615802 CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1 G615930 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)[2H] G615932 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OCC1CO1 G615933 CCCCCCCCCCCCCCCC(=O)OCC1CO1 G615950 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1 G615952 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OCC1CO1 G615953 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)[2H] G615954 c1cc(cc(c1)S(=O)(=O)OC[C@H]2CO2)[N+](=O)[O-] G615975 c1cc(cc(c1)S(=O)(=O)OC[C@@H]2CO2)[N+](=O)[O-] G615980 CCCCCCCCCCCCCCCCCC(=O)OCC1CO1 G615985 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1 G615987 [2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)[2H] G615988 C(C(=O)O)N G615990 [2H]C([2H])(C(=O)O[2H])N([2H])[2H] G615992 [13CH2]([13C](=O)O)[15NH2] G615993 c1ccc2c(c1)C(=O)N(C2=O)CC3CO3 G615995 Cc1ccc(cc1)S(=O)(=O)OC[C@H]2CO2 G616000 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2CO2 G616001 c1ccc(cc1)COC(=O)CN.Cl G625000 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)CN G625100 CC(C)(C)OC(=O)CN.Cl G625175 CCOC(=O)CN.Cl G625225 CCOC(=O)[13CH2]N.Cl G625227 CCO[13C](=O)[13CH2]N.Cl G625228 COC(=O)CN.Cl G625235 Cc1cccc(c1NC(=O)CN)C G625290 [2H]C([2H])([2H])c1cccc(c1NC(=O)CN)C([2H])([2H])[2H] G625292 COc1cc2c(cc1O)occ(c2=O)c3ccc(cc3)O G635400 COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)occ(c2=O)c4ccc(cc4)O G635410 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2cc3c(cc2OC)c(=O)c(co3)c4ccc(cc4)O)O)O)O G635420 COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)occ(c2=O)c4ccc(cc4)O G635425 C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+] G641255 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)[O-])C)C)([2H])[2H])O.[Na+] G641257 C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+] G641270 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)[O-])C)C)([2H])[2H])OS(=O)(=O)[O-].[Na+].[Na+] G641272 C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C G641350 [2H][C@]1(C(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C)([2H])[2H])O G641352 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C G641355 C(=O)C(=O)O.O G755000 [13CH](=O)[13C](=O)O.O G755002 C(C(=O)O)NCP(=O)(O)O G765000 C([15NH][13CH2][13C](=O)O)P(=O)(O)O G765002 c1cc(cnc1)C2[C@@H]3CC=C[C@@H]3c4cc(cc(c4N2)F)F G766500 C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O G766740 C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O G766750 CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6CCC(=O)N6 G767500 CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6CCC(=O)N6 G767502 CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC(=O)O G779500 Cn1c2ccccc2c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl G780000 [2H]C([2H])([2H])N1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4n(n3)C G780002 Cn1c2ccccc2c(n1)C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C G780010 C[C@@H]1CC(=O)CC(=O)[C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC G787490 C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC G787500 [2H][13C]([2H])([2H])Oc1cc(c(c2c1C(=O)[C@]3(O2)[C@@H](CC(=O)C=C3OC)C)Cl)OC G787502 c1cc(sc1S(=O)(=O)N[C@H](CO)C(C(F)(F)F)C(F)(F)F)Cl G797400 COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F G797500 c1cc2c(cc1F)c(c(c(=O)n2CCC3CC3)C(=O)NCC(=O)O)O G797600 Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F G797800 COc1ccccc1OCC(CO)O G810500 [2H]C([2H])([2H])Oc1ccccc1OCC(CO)O G810502 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1OC)O)O G810503 COc1ccccc1OCC2COC(=O)O2 G810515 [2H]C1(C(OC(=O)O1)([2H])C([2H])([2H])Oc2ccccc2OC)[2H] G810517 C1CCCN(CCC1)CCNC(=N)N G815000 c1cc(c(c(c1)Cl)CC(=O)NC(=N)N)Cl G816000 c1cc(c(c(c1)Cl)CC(=O)[15NH][13C](=[15NH])[15NH2])Cl G816002 C(=N)(N)N.Br G821230 C(=[15NH])([15NH2])[15NH].Br G821232 C(C(=O)O)NC(=N)N G821250 [13CH2]([13C](=O)O)NC(=N)N G821252 c1cc(ccc1C(=O)O)NC(=N)N.Cl G821300 c1cc(ccc1C(=O)Cl)NC(=N)N.Cl G821400 C(CSS(=O)(=O)CCNC(=N)N)NC(=N)N G825000 C(CS(=O)(=O)O)NC(=N)N G827500 c1cc2cnccc2c(c1)S(=O)(=O)NCCNC(=N)N.Cl G835000 C(CS(=O)(=O)O)SC(=N)NC(=N)N G835250 [2H]C([2H])(C([2H])([2H])S(=O)(=O)O)SC(=N)NC(=N)N G835252 Cc1ccc(cc1NC(=N)N)NC(=O)c2ccc(cc2)CN3CCN(CC3)C G835725 c1c(nc(s1)NC(=N)N)CSC(=N)N G835800 c1[nH]c2c(n1)c(=O)[nH]c(n2)N G836000 [13cH]1[nH][13c]2c([15n]1)c(=O)[nH]c(n2)N G836002 c1[nH][13c]2[13c]([15n]1)c(=O)[nH]c(n2)N G836003 c1nc2c(=O)[nH]c(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)N G837900 c1nc2c(=O)[15nH][13c](nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)[15NH2] G837902 CCN(CC)CC.c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)[nH]c(nc2=O)N G837950 c1nc2c(=O)[nH]c(nc2n1[13C@H]3[13C@@H]([13C@H]4[13C@H](O3)[13CH2]OP(=O)(O4)[O-])O)N.[Na+] G837963 [14cH]1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H](C([C@H](O3)COP(=O)([O-])[O-])O)O)N.[NH4+].[NH4+] G838500 c1ccc2c(c1)OCC(O2)CNC(=N)N G839500 [2H]c1c(c(c2c(c1[2H])OCC(O2)CNC(=N)N)[2H])[2H] G839502 c1nc2c(n1CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)c(=O)nc([nH]2)N G843800 [2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)n1cnc2c1c(=O)nc([nH]2)N G843802 c1(nc(nc(n1)NC(=N)N)N)N G844250 [13c]1(n[13c](n[13c](n1)N[13C](=N)N)N)N G844252 C(=NC(=O)N)(N)N.OS(=O)(=O)O G844500 CC(=O)[15N]=C([15NH2])[15NH2] G844502 C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O G854995 C([C@@H]([C@@H]1C([C@H](C(=O)O1)O)O)O)O G855000 CC(=O)OC[C@H]([C@H]1[C@@H]([C@@H](C(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C G855005 C(C1[C@H]([C@H](C([C@@H](O1)O)O)O)O)O G855200 COC(=O)C1=CCCNC1.Br G876400 COC(=O)C1=CCCNC1.Br G876500 Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C G930000 CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)/C=C/c4cccc(c4)C(=O)O G931000 Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C G931500 Cc1cc(ccc1OCC(=O)OC)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C G931510 CCCCCCCCCCCC1=[N+](CCc2c1ccc(c2)F)Cc3ccc(cc3)C(C)(C)C.[Br-] H005069 Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNC[C@@H]3C H011520 Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN H011530 B(c1ccc(cc1)COc2ccc(cc2)/C=C\3/C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)O H011600 C1[C@H]([C@@H](C(C([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)N H011745 C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)NC(=O)[C@H](CCN)O)O)N H011750 c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)[O-].[Na+] H012500 c1ccc(cc1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CC(F)(F)F H101500 [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)N(c3c2cc(cc3)Cl)CC(F)(F)F)[2H])[2H] H101502 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F H102000 CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl H102300 CCCCN(CCCC)CCC(c1cc2c(cc(cc2Cl)Cl)c3c1ccc(c3)C(F)(F)F)O H102400 CC(C)(C)N(C(=O)c1ccccc1)NC(=O)c2ccc(cc2)Cl H102450 [2H]c1c(c(c(c(c1C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)[2H])[2H])Cl)[2H] H102452 c1c2c(cc(c1Cl)Br)ncn(c2=O)CC(=O)CC3[C@@H](CCCN3)O.Br H102490 c1c2c(cc(c1Cl)Br)ncn(c2=O)CC(=O)CC3[C@@H](CCCN3)O.Cl H102500 c1c2c(cc(c1Cl)Br)ncn(c2=O)CC3(C[C@@H]4[C@H](O3)CCCN4)O H102505 C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F H103100 COc1ccc2c(c1)CCCC2(c3ccc(cc3)OCc4ccccc4)O H103700 [2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)[2H])[2H])Cl)[2H] H103702 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F H103705 CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)c2ccc(cc2)F)c3ccc(cc3)Cl H103710 [2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)OC(=O)CCCCCCCCC)[2H])[2H])Cl)[2H] H103712 c1cc(ccc1C(=O)CCC[N+]2(CCC(CC2)(c3ccc(cc3)Cl)O)[O-])F H103720 [2H]c1c(c(c(c(c1C2(CC[N+](CC2)(CCCC(=O)c3ccc(cc3)F)[O-])O)[2H])[2H])Cl)[2H] H103722 c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Br)F H104000 [2H]C1(C(OC2(N1CC(=O)Nc3c2cc(cc3)Br)c4ccccc4F)([2H])[2H])[2H] H104002 Cc1c2c(ccn1)c3ccccc3[nH]2 H105000 Cc1c2c([13cH][13cH][15n]1)c3ccccc3[nH]2 H105002 [2H]C([2H])([2H])c1c2c(ccn1)c3ccccc3[nH]2 H105003 c1ccc2c(c1)c3c([nH]2)C4CCCN4CC3 H105200 Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC H105250 [2H]C([2H])([2H])Oc1ccc2c3ccnc(c3[nH]c2c1)C H105252 CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O H105285 CN(C)C(=[N+]1c2cccnc2[N+](=N1)[O-])N(C)C.F[P-](F)(F)(F)(F)F H105800 CC(C)c1ccc(cc1)NC(=O)Cn2cnc3c2c(=O)n(c(=O)n3C)C H115000 C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O H129990 c1ccc(c(c1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O H235000 CCCCCCCCCCCCCCCCCCCCC H245500 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O H245600 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC H245610 CCCCCCCCCCC[C@@H](C/C=C/CCCCCC)O H245750 c1c2c(c(c(c1Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 H265000 c1c2c3c(c(c(c(c3Cl)Cl)Cl)Cl)oc2c(c(c1Cl)Cl)Cl H265080 c1c2c(c3c(o2)c(c(c(c3Cl)Cl)Cl)Cl)c(c(c1Cl)Cl)Cl H265085 c1c2c(c3c(o2)cc(c(c3Cl)Cl)Cl)c(c(c1Cl)Cl)Cl H265090 [C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl H265700 [C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl H265705 CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCCCC H268500 C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+] H268700 CCCCCCCCCCCCCCCC(=O)C H278800 CCCCCCCCCCCCCCCCCBr H279000 CC/C=C/C=C/CO H280000 CC/C=C/C=C/CP(=O)(c1ccccc1)c2ccccc2 H281000 c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F H281050 c1cn(cn1)C(=O)C(C(C(F)(F)F)(F)F)(F)F H281060 CC(=O)O[C@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC(=O)C)OC(=O)C)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC(=O)C)OC(=O)C)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC(=O)C)OC(=O)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C H281090 CO[C@@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@@H](C5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@@H]6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OC)OC)CO)CO)CO)CO)CO)CO)CO H281095 CC1[C@H](O[C@H]([C@@H]([C@@H]1OC)OC)OC)COS(=O)(=O)[O-].[Na+] H281100 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@@H](C5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC)OC)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC)OC H281105 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H](C5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8O)O)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)O)O H281110 C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H](C3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H](C4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H](C6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H](C8O)O)COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] H281125 CC(=O)O[C@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC(=O)C)OC(=O)C)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC(=O)C)OC(=O)C)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC(=O)C)OC(=O)C)COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-].c1cc[nH+]cc1 H281135 [2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H281142 CCCCCCCCCCCCCCCCC(=O)OCC(CCl)O H281150 CCCCCCC(=O)NCC(=O)O H281155 CC1(C(=O)NC(=O)NC1=O)c2ccccc2 H281165 [2H]C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccccc2 H281167 CC(CCCC(C)(C)O)N.Cl H281170 CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C H281180 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)OC(=O)C H281182 [2H][C@H]1C([C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H](C5)N1C([2H])([2H])[2H])OC(=O)C)OC(=O)C)([2H])[2H] H281183 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O H281185 C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl H281190 CCCCCC(=O)NCC(=O)O H281200 CCCCCC(=O)ON1C(=O)CCC1=O H281215 CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O H281225 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCC)O H281227 CCCCCCC(=O)N1[C@H](COC1=O)C(C)C H281250 C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C H281385 C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O H282100 CCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl H283000 B(c1ccc2ccc(cc2c1)CCCCCCC)(O)O H285500 CCCCCCCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H288000 CCCCC#CCSc1ccccc1OC(=O)C H288500 [2H]C([2H])([2H])Oc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)O)O H289502 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H289510 CC(=O)Oc1cc2c(c(c1)OC(=O)C)C(=O)C[C@H](O2)c3ccc(c(c3)OC(=O)C)OC H289520 CC(=O)Oc1cc(ccc1OC)[C@@H]2CC(=O)c3c(cc(cc3OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O2 H289530 CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)OC)O H290750 C(C(Br)(Br)Br)(Br)(Br)Br H290755 c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 H290780 c1c2c(c(c(c1Cl)Cl)Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl H290785 c1c2c(c(c(c1Cl)Cl)Cl)Oc3c(cc(c(c3Cl)Cl)Cl)O2 H290790 c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl H290810 c1ccc(cc1)C2CC3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl H290820 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O H290910 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O H290930 CCC/C=C/C=C/CCCCCCCCC=O H290950 CCC/C=C/C=C/CCCCCCCCCO H290955 CCCCCCCCCCCCCCCC=O H290965 CCCCCCCCCCCCCCCC(=O)Nc1cc2c(cc(=O)oc2cc1O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C H290980 CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O H290990 Cc1ccc(cc1)S(=O)(=O)N2CCCN(C[C@@H]2C)C(=O)OC(C)(C)C H291045 COc1ccc(c(c1OC)OC)CN2CCN(CC2)Cc3ccc(c(c3OC)OC)OC H291150 c1ccnc(c1)SSCCC(=O)NCCCCCCNC(=O)CCSSc2ccccn2 H291250 C[C@@H](CC[C@H](C)O)O H292150 CC(=O)CCC(=O)C H292490 CC(=O)CCC1(OCCO1)C H292500 CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.O H293000 CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.O H293500 CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OC H293510 CCCCCCCCCCCCCCC(=O)C H293550 CCCCC(Cn1cncn1)(c2ccc(cc2Cl)Cl)O H293555 CCCCCCCCCCCCC/C=C/C(=O)OCC H293560 CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-].[OH-] H293580 CCCCCCCCCCCCC/C=C/C=O H293650 CCCCCC/C=C\CCCCCCCC=O H293660 CCCCC/C=C/CCCCCCCCC=O H293670 CCCCCCCCCCCCCCCCSS(=O)(=O)C H293825 CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] H293860 COc1cc2c3c(c1Br)CN(CC[C@]34C=CC(=O)CC4O2)C=O H293900 COc1cc2c3c(c1Br)CN(CC[C@]34C=C(C(=O)CC4O2)Br)C=O H293930 C[C@H](CI)[C@@H]1CC[C@@]2(C1CCC=C2OS(=O)(=O)C(F)(F)F)C H293940 C[C@H](CCCC(=O)OC)[C@@H]1CC[C@@]2(C1CCC=C2OS(=O)(=O)C(F)(F)F)C H293950 CC1(CCC(NCC1)c2ccncc2)C.Cl H293955 CCC1CCCCCN1.Cl H293965 C1CO[C@@H]2[C@H]1[C@H](CO2)O H293985 C1CO[C@@H]2[C@H]1[C@@H](CO2)O H293990 C1CO[C@H]2[C@@H]1[C@@H](CO2)O H293995 C[C@]12CCC(=O)C[C@]1(CCC2=O)O H294025 CCCCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c3ccc(cc3)c4ccccc4 H294035 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c3ccc(cc3)c4ccccc4 H294037 COc1ccc2c(c1)[C@@H]3[C@@H](CC2)NC(=O)CO3 H294150 c1cc(sc1)CC2CCCCCN2.Cl H294155 c1ccc(c(c1)CC2CCCCNC2)OC(F)(F)F H294160 c1cc(cc(c1)OC(F)(F)F)CC2CCCCNC2 H294165 C1C[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3C1 H294170 c1cc(cc(c1)C(F)(F)F)C2CCCCCN2.Cl H294175 c1cc2c(cc1O)CC(=O)O2 H593410 C(CC(C(=O)O)N)CC(=O)N H593490 C(C[C@@H](C(=O)O)N)CC(=O)N H593500 CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O H596500 [2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)OC)O)OCO5 H596502 c1c([nH]cn1)CC[C@@H](C(=O)O)N H597490 c1c([nH]cn1)CCC(C(=O)O)N H597500 C1CSSC1CCCCCC(=O)O H598500 c1ccc(cc1)CC[C@@H](C(=O)O)N H600500 C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O H601500 CCC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C H602910 CCC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@@H](CC(=O)[O-])O)O)O.[Na+] H603000 C1CC(NC1)CC(=O)O H605000 C(CO)C(C(=O)O)N H615000 C(CO)[C@@H](C(=O)O)N H615010 C1COC(=O)[C@H]1N.Cl H615100 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)n(n1)C H615150 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC H615152 C(CCNCCCCN)CN H625000 [2H]C([2H])(CCCNCCCC([2H])([2H])N)N H625002 CCOc1ccccc1OCCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC H653500 C(CN)CS(=O)(=O)O H656200 C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O H656210 CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O H656560 CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)O H656565 c1ccc2c(c1)c(c[nH]2)CCC(C(=O)O)N H657000 c1cc(ccc1CC[C@@H](C(=O)O)N)O.Br H668000 COc1cc(ccc1O)CC(=O)O H669500 c1cc(cc(c1)C(F)(F)F)CC2CCCCNC2 H294180 C[C@H]1CN(CCCN1)C(=O)OC(C)(C)C H294185 C=C1CO[C@H]2[C@@H]1CCO2 H294190 [2H]C1(CCC(=O)OC1([2H])C([2H])([2H])[2H])[2H] H294197 C[C@H]1[C@@H]2[C@H]([C@@H](CN1)O)OC(O2)(C)C H294200 c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N H294205 [2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)C(=N)N)C([2H])([2H])C([2H])([2H])Oc2ccc(cc2)C(=N)N H294207 C(CCCN(CC(=O)O)CC(=O)O)CCN H294210 C[Si](C)(C)O[Si](C)(C)C H294215 C1N2CN3CN1CN(C2)C3 H294220 [2H]C1(N2C(N3C(N1C(N(C2([2H])[2H])C3([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H] H294222 CN(C)P(N(C)C)N(C)C H294225 C1CCCNCC1 H294235 [2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H294242 CS(=O)(=O)SCCCCCCSS(=O)(=O)C H294250 C[C@H]1CCCC(=O)O1 H294410 CCCCCC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)O H294450 C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCO H294675 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSS(=O)(=O)C H294775 C(CO)/C=C/CCO H294900 CCC/C=C/C(=O)OCC/C=C\CC H294950 C/C=C\CCCO H295000 CC[C@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O H295300 [2H]C([2H])([2H])CC(c1ccc(cc1)O)C(CC([2H])([2H])[2H])c2ccc(cc2)O H295302 [2H]C([2H])(C)C(c1ccc(cc1)O)C(c2ccc(cc2)O)C([2H])([2H])C H295303 CN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCN(C)CCCOC(=O)c2cc(c(c(c2)OC)OC)OC H295450 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(c(c(c2)OC([2H])([2H])[2H])OC([2H])([2H])[2H])OC([2H])([2H])[2H] H295452 CCCCCCc1ccc(cc1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-] H295625 CCCCCCN\1c2ccccc2S/C1=C\C=C\c3cc[n+](c4c3cccc4)C.[I-] H295650 CCCCCCn1cc(cc1Br)C(=O)c2cccc3c2cccc3 H295670 CCCCCCn1ccc(c1Br)C(=O)c2cccc3c2cccc3 H295675 CCCCCCCCC(CCCCCC)CO H295710 [2H]C([2H])([2H])CCCCCCCC(CCCCCC)CO H295712 CCCCCCCCCCC[C@H]1CC=C(C(=O)O1)CCCCCC H295800 CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)O H295850 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@@H]([C@H](C[C@H](CCCCCCCCCCC)O)O)C(=O)O H295852 CCCCCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H296000 CCCCCCOC(=O)C=O H296500 CCCCCCCCCCC[C@H](CC1[C@@H](C(=O)O1)CCCCCC)O H296530 CCCCCCCCCCC[C@@H](CC1[C@@H](C(=O)O1)CCCCCC)O H296535 CCCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 H296800 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 H296802 CCCCCCn1ccc(c1)C(=O)c2cccc3c2cccc3 H296900 CCCCCCSS(=O)(=O)C H297150 CCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] H297160 [2H]C([2H])([2H])/C(=C(\CCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] H297162 CCCCCCC1=C(C(=O)OC1=O)C H297170 [2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCC H297172 CCCCCCn1cc(cc1c2ccccc2)C(=O)c3cccc4c3cccc4 H297400 [2H]c1c(c(c(c(c1[2H])[2H])c2cc(cn2CCCCCC)C(=O)c3cccc4c3cccc4)[2H])[2H] H297402 CCCCCCOc1c(cc(c(c1C)C)OC(=O)C(C)(C)C)C H297775 CCCCCCCCCCC[C@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)O H297900 CCCCCCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H298000 CCCCCCCCCCC[C@@H](CC1[C@@H](C(=O)O1)CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C H324950 CCCCCCOc1cc(c(c(c1C)C)O)C H325000 CCCCC#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)C(=O)NCC)O)O)N H325500 c1ccc(cc1)C(=O)NCC(=O)O H356700 c1c([nH]cn1)CCN H436500 [2H]C([2H])(c1cnc[nH]1)C([2H])([2H])N H436502 c1ccc(cc1)CN(CCN2CCCC2)c3ccccc3 H443500 [2H]c1c(c(c(c(c1[2H])[2H])N(CCN2CCCC2)Cc3ccccc3)[2H])[2H].Cl H443502 [13cH]1[13c]([15nH][13cH][15n]1)[13CH2][13CH]([13C](=O)O)[15NH2] H456002 c1c([nH]cn1)C[C@@H](C(=O)O)N H456010 COC(=O)[C@H](Cc1cnc[nH]1)N H456020 [2H]C([2H])([2H])NCCc1ccccn1 H456152 c1c([nH]cn1)C[C@@H](CO)N H456300 CC1(C=C(C(N1O)(C)C)CON)C H456400 C[n+]1ccccc1C(=O)[O-] H458500 [2H]C([2H])([2H])[n+]1ccccc1C(=O)[O-] H458502 CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(c3ccccc3)O.Br H459200 C(CCNC(=N)N)C[C@@H](C(=O)O)N.Cl H585000 [2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNC(=N)N H585002 CC[C@H]([C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C H589500 C[C@H](CCCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C H589800 [2H]C([2H])([2H])C(CCCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O H589802 CC[C@@H]([C@H]([C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C H590200 C1CSC(=O)C1N.Cl H591300 C(CSSCC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N H591360 COc1ccc(cc1OC)c2cc3cc(cc(c3o2)OC)CCCO H592500 COc1ccc(cc1OC)c2cc3cc(cc(c3o2)OC)CCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O H592510 c1ccc2c(c1)Nc3cc4=Nc5ccccc5Nc4cc3=N2 H592850 c1cc(c(cc1O)CC(=O)O)O H593400 [13cH]1[13cH][13c]([13c]([13cH][13c]1O)CC(=O)O)O H593402 [2H]C([2H])([2H])Oc1cc(ccc1O)CC(=O)O H669502 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)CC(=O)O H669503 COc1cc(ccc1OS(=O)(=O)[O-])CC(=O)[O-].[Na+].[Na+] H669505 [2H]C([2H])([2H])Oc1cc(ccc1OS(=O)(=O)[O-])CC(=O)[O-].[Na+].[Na+] H669507 COc1ccc(cc1OC)CC(=O)O H669520 COc1cccc(c1OC)CC(=O)O H669525 COc1ccc(cc1OC)CC#N H669530 COc1ccc(cc1OC)CCN H669540 CN(C)CCc1ccc(cc1)O H669600 [2H]C([2H])([2H])N(CCc1ccc(cc1)O)C([2H])([2H])[2H] H669602 CC1=C(C(C2=C(N1)CC(CC2=O)c3ccccc3OC)c4cccc(c4)O)C(=O)OCCOC.O H671250 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C H671800 CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)CO)(C)C)O H673500 [2H]C([2H])([2H])C(CCCCCC)(c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)CO)(C)C)O)C([2H])([2H])[2H] H673502 CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2C[C@@H](CC3)CO)(C)C)O H673510 [2H]C([2H])([2H])C(CCCCCC)(c1cc(c2c(c1)OC([C@H]3[C@H]2C[C@@H](CC3)CO)(C)C)O)C([2H])([2H])[2H] H673512 CCCCCCC(C)(C)c1cc(c(c(c1)OC)[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC H673525 CC1(CCC(c2c1cc3c(c2)Sc4ccccc4N=C3c5ccc(cc5)C(=O)O)(C)C)C H674250 [2H]c1c(c(c(c(c1C2=Nc3ccccc3Sc4c2cc5c(c4)C(CCC5(C)C)(C)C)[2H])[2H])C(=O)O)[2H] H674252 CCOC(=O)[13CH2][15NH]C(=O)N H674882 C1C(=O)NC(=O)N1 H675000 [13CH2]1[13C](=O)NC(=O)[15NH]1 H675002 [13CH2]1C(=O)NC(=O)[15NH]1 H675003 CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675690 [2H]C([2H])([2H])N1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675692 CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675700 CN1CCc2cc3c(cc2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675701 CC(=O)ONN H685000 [13C](=O)([15NH2])NN[13C](=O)[15NH2] H697560 c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)NN)N H710000 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])NN)[2H].Cl H710152 CC(Cc1ccc(c(c1)OC)O)(C#N)NN H713025 [2H]C([2H])([2H])C(C#N)(C([2H])([2H])c1ccc(c(c1)OC)O)NN H713027 c1c(ncnc1O)NN H713750 CS(=O)(=O)NCc1ccc(cc1)NN.Cl H714350 Cc1cc/c(=N\N)/[nH]c1 H714500 c1ccc2c(c1)cnn\3c2n[nH]/c3=N\N H714530 CCOC(=O)c1ccc(cc1)C(C)NN.c1ccc(cc1)S(=O)(=O)O H714535 CNS(=O)(=O)CCc1ccc(cc1)NN.Cl H714540 c1cc(ccc1Cn2cncn2)NN H714545 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 H714560 [2H][13C]1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H] H714562 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C)O.O H714580 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@@]5(C(=O)CO)O)C H714590 c1ccc(cc1)CCC(=O)O H714595 c1ccc(cc1)CCC(=O)ON2C(=O)CCC2=O H714600 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CCC3[C@@H]1C5)OC H714610 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)C5CCC4=O)C H714611 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CCC3[C@@H]1C5)OC([2H])([2H])[2H] H714612 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O H714615 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O H714620 CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O H714625 CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C H714628 c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F H714630 [2H][13C]1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F)[2H] H714632 CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO H714635 COC(=O)CC(=O)[O-].[K+] H714640 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC)C)O)C)C(=O)CO H714645 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5)O.Cl H714650 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O.Cl H714652 CCCC1(OCC(=O)[C@@]2(O1)CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)OC H714655 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@](CC[C@H]3[C@H]1C5)([C@H]6C[C@@H]7[C@@H]8Cc9ccc(c1c9[C@]7(CCN8C)[C@@H](C6=O)O1)O)O)O H714660 CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC H714665 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5)OS(=O)(=O)O H714670 C1COP(=O)(NC1OO)N(CCCl)CCCl H714675 [2H]C([2H])(CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)OO)Cl H714677 C[C@]12C[C@@H]([C@H]3[C@H](C1CC[C@@]2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)CCC34C)O.[Na+] H714680 C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O)[O-] H714685 [2H]C([2H])([2H])[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O)[O-] H714687 CC[NH+](CC)CC.CC1(CC(CC(N1[O-])(C)C)OP(=O)O)C H714705 c1cc(ccc1O)O H714715 CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3cc(ccc3oc2=O)O)O H714725 CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccc(cc3oc2=O)O)O H714730 CC(=O)Nc1ccc(c(c1)O)O H714750 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)O)O H714752 C(C(=O)NN)O H715400 c1cc(ccc1C[C@H]2COC(=O)N2)NN H716490 c1ccc2c(c1)cnnc2NN.Cl H716531 c1ccc2c(c1)c[15n][15n]c2[15NH][15NH2].Cl H716532 C/C(=N\Nc1c2ccccc2cnn1)/C(=O)O H716550 C/C(=[15N]\[15NH]c1c2ccccc2c[15n][15n]1)/C(=O)O H716552 c1ccc(c(c1)CC(=O)OCC(=O)O)Nc2c(cc(cc2Cl)O)Cl H726500 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CCO)n(n1)C H739940 CC(=O)c1ccc(cc1)O H739980 [2H]c1c(c(c(c(c1[2H])C(=O)C([2H])([2H])[2H])O)[2H])[2H] H740000 C/C(=N\O)/c1ccccc1O H741000 [2H]c1c(c(c(c(c1[2H])/C(=N/O)/C)O)[2H])[2H] H741002 C/C(=N\OC(=O)C)/c1ccccc1O H741025 [2H]c1c(c(c(c(c1[2H])/C(=N/OC(=O)C)/C)O)[2H])[2H] H741027 C/C(=N\O)/c1ccc(cc1)O H741050 CC(=O)Nc1ccc-2c(c1)Cc3c2ccc(c3)O H750000 CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@H](C5=CC(=O)C=C[C@@]54C)O)F)O)C)OC(O2)(C)C H750010 COc1ccc(cc1)O H750015 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC4=O)C)O H750020 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H750025 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750030 [2H]C([2H])([2H])C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750032 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750035 [2H]C([2H])([2H])C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750037 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C#C)O)O)CCC4=CC(=O)CC[C@H]34 H750040 COc1ccc(cc1[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)c5ccc6cc(ccc6c5)C(=O)O H750045 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O H750050 c1nc(c2c(n1)[nH]c(n2)O)N H750060 CC(C)(C)NCC(c1cc(c(c(c1)O)O)CO)O H761400 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)O)O)CO)O H761402 c1ccc(cc1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO H761500 c1ccc(cc1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H761510 c1ccc(cc1)c2ccc(cc2)NO H767500 Cc1cc2c(cccn2)c3c1n(c(n3)NO)C H775000 Cc1cnc2ccc3c(c2n1)nc(n3C)NO H775100 [2H]C([2H])([2H])n1c2ccc3c(c2nc1NO)nc(cn3)C H775102 C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CCC4C5CC=C6C[C@H](CC[C@@]6(C5CC4=C3C)C)O)C)N(C1)CCNC(=O)CCCCCNC(=O)CCc7ccccc7 H776000 Cn1c2ccc3c(c2nc1NO)cccn3 H785000 Cn1c2cc(c3c(c2nc1N)cccn3)O H785015 [2H]C([2H])([2H])n1c2cc(cnc2nc1O)c3ccccc3 H791777 c1ccc2c(c1)c3ccncc3n2c4ccc(cc4)NO H795000 [2H]c1c(c(c(c(c1NO)[2H])[2H])n2c3ccccc3c4c2cncc4)[2H] H795002 C(CNO)CP(=O)(O)O H797200 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2c(nc3c(n2)c(nc(n3)N)N)O H797250 C(C(C(=O)NO)S(=O)(=O)[O-])C(=O)O.[Na+] H797290 CCC1(C(=O)NC(=O)N(C1=O)O)CCC(C)C H797500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797800 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797802 c1cc2c(cc1O)N=C(c3cc(ccc3O2)Cl)N4CCNCC4 H797805 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797807 CC(Cc1cccc(c1)O)N.Br H797900 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1cccc(c1)O)N.Br H797902 c1cc(c(c2c1N=C3NC(=O)C(N3C2)O)Cl)Cl H798300 c1cc(c(c2c1N=[13C]3N[13C](=O)[13CH](N3C2)O)Cl)Cl H798302 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C H801400 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CO H801500 [2H]C([2H])([C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O H801502 CNc1ccc(c2c1C(=O)c3ccccc3C2=O)NCCO H825260 CC(Cc1cccc(c1)C(F)(F)F)NCCO.Cl H825265 [2H]C([2H])(C([2H])([2H])O)NC(C)Cc1cccc(c1)C(F)(F)F.Cl H825267 [2H]C([2H])(C([2H])([2H])O)N1CCNCC1 H825272 CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O H830350 [2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H830352 CC(c1cccc2c1oc(c2)C(CNC(C)(C)C)O)O H830480 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc2cccc(c2o1)C(C)O)O H830482 C[C@@H]1[C@](OCC(N1)(C)C)(c2cccc(c2)Cl)O H830665 C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O H830670 c1cc(cc2c1ccc(=O)o2)OS(=O)(=O)[O-].[K+] H924890 c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)OS(=O)(=O)[O-].[K+] H924892 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3ccc(=O)oc3c2)C(=O)OC)OC(=O)C H924895 C(/C=C/C(=O)O)O H925000 CN(C)CC/C=C\1/c2ccccc2C=Cc3c1cc(cc3)O H926000 [2H]c1c(c(c(c(c1[2H])O)N)C(=O)O)[2H] H801792 c1cc(c(cc1O)C(=O)O)N H801800 c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@H](C4)O)C#N.Cl H802100 c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@@H](C4)O)C#N.Cl H802105 c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N H802110 Cc1cc(ccc1O[C@H](CCNC)c2ccccc2)O H802500 [2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccc(cc2C)O H802502 Cc1cc(ccc1O[C@H](CCNC)c2ccccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H802510 [2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccc(cc2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H802512 C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)O)C H804500 c1cc2c(nc1)n(nn2)O H805070 CC(C)N1C(=O)c2cc(ccc2NS1(=O)=O)O H806500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1C(=O)c2cc(ccc2NS1(=O)=O)O H806502 c1cc(ccc1C(=N)N)O.Cl H807525 CN(C)C(=O)COC(=O)Cc1ccc(cc1)O H807800 [2H]C([2H])([2H])N(C(=O)COC(=O)Cc1ccc(cc1)O)C([2H])([2H])[2H] H807802 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])O)[2H] H808452 c1ccc(c(c1)C(=O)Oc2ccc(cc2)CCl)O H808460 c1cc2c(cc1O)OCCO2 H808475 CC(=O)Oc1ccc2c(c1)OCCO2 H808485 CC(Cc1ccc(cc1)O)N(C)Cc2ccccc2 H808500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)O)N(C)Cc2ccccc2 H808502 c1ccc(c(c1)CN)O H809725 c1cc(ccc1CN)O H809735 c1cc(ccc1C[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)Nc3ccc(cc3)F)O H809740 CC(C)n1cnc2c1nc(nc2NCc3ccccc3O)NCCCO H809750 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)CNCCCO H809770 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CC(C2(C)C)O)(C)C H817500 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(C(CC2(C)C)O)(C)C H817505 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)C=C[C@]34C)O H818100 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3C(c6c5c(c(cc6)O)O4)O)CC7CC7)OC)O H818500 [2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3[C@]7(CC[C@]4([C@H]2C6O)C[C@@H]7C(C)(C(C)(C)C)O)OC)O H818502 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[Si](C)(C)C(C)(C)C)O)N5CCCCC5 H824625 CC(C)NC(=O)OCC(C)(CC(C)O)COC(=O)N H824800 [2H]C([2H])(C(C)(CC(C)O)C([2H])([2H])OC(=O)NC(C)C)OC(=O)N H824802 CCCC(c1cc2ccccc2o1)O H824920 C(CCO)CC1C(=O)NC(=O)N1 H825000 CC(C)(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)O H825025 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)(C)O H825027 CC(CO)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O H825030 [2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)CO H825032 CC1(C(c2cccc(c2O1)OC(=O)NC)O)C H825040 [2H]C([2H])([2H])NC(=O)Oc1cccc2c1OC(C2O)(C)C H825042 COc1ccccc1OCCNCC(COc2c(ccc3c2c4ccccc4[nH]3)O)O H825050 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1c(ccc2c1c3ccccc3[nH]2)O)O)NCCOc4ccccc4OC H825052 c1cc(ccc1/C=C\C(=O)O)O H825070 CC(=O)c1cccc(c1O)Cl H825100 c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)[N+](=O)[O-])O)Cl H825110 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(CCl)O)n(n1)C H825115 c1c2c(cc(c1Cl)O)oc(=O)[nH]2 H825120 [13cH]1[13c]2[13c]([13cH][13c]([13c]1Cl)O)oc(=O)[nH]2 H825122 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C H825125 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C)C([2H])([2H])[2H] H825127 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C H825130 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C)C([2H])([2H])[2H] H825132 c1cc2c(cc(=O)oc2cc1O)CC(=O)O H825135 c1cc(c(nc1)O)C#N H825140 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C H825145 COC(=O)C1(CC1)O H825150 CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C5CC5[C@]34C)Cl)C)O)O H825155 CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O)OC(=O)C H825160 C1CCC(CC1)C(O)S(=O)(=O)O.[NaH] H825165 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(O)S(=O)(=O)O)([2H])[2H])([2H])[2H])[2H].[NaH] H825167 [2H]C1(CC(=O)CC(C1O)([2H])[2H])[2H] H825172 c1cc(ccc1c2ccc(o2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-] H825175 [2H]c1c(c(c(c(c1c2ccc(o2)/C=N/N3C(C(=O)NC3=O)O)[2H])[2H])[N+](=O)[O-])[2H] H825177 c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CCc4ccc5c(c4)C(CO5)O)C(=O)N H825190 Cc1cc(cc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl)O H825200 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O H825205 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O H825206 c1c2c(cc(c1O)N3CCNCC3)n(cc(c2=O)C(=O)O)C4CC4 H825210 Cc1cc[n+](c2c1cccc2)CCO.[Br-] H825215 Cc1c(c(c2c(n1)COC2=O)c3ccccc3[N+](=O)[O-])C(=O)OC H825220 c1ccc(c(c1)CC(=O)O)Nc2c(cc(cc2Cl)O)Cl H825225 [2H]c1c(c(c(c(c1[2H])CC(=O)O)Nc2c(cc(cc2Cl)O)Cl)[2H])[2H] H825227 c1c(cc(c(c1Cl)N[13c]2[13cH][13cH][13cH][13cH][13c]2CC(=O)O)Cl)O H825228 c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl H825230 CN1CC[C@@]23CCCC[C@H]2[C@@H]1[C@@H](c4c3cc(cc4)OC)O H825235 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@H](c4c3cc(cc4)OC)O.Cl H825236 Cc1cc(c(nc1C)O)C#N H825240 Cn1c(cnc1CO)[N+](=O)[O-] H825245 [2H]C([2H])([2H])n1c(cnc1CO)[N+](=O)[O-] H825247 C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O H825250 CC(c1cc(c(cc1[N+](=O)[O-])OCCCC(=O)O)OC)O H825255 C[C@@H]([C@H](c1ccccc1)O)N(C)CCO H825275 [2H]C([2H])([2H])N(CCO)[C@@H](C)[C@H](c1ccccc1)O H825277 c1cc(ccc1/C=C/CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F)O H825280 CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O H825285 [2H]/C(=C(\[2H])/C[C@@H](/C=C/C=C\C/C(=C(/[2H])\CCCC(=O)O)/[2H])O)/CCCCC H825287 C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])O)C[C@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@H](C3)OC)OCCO)/C)O)OC)/C)OC.[Na+] H825290 [2H]C([2H])(C([2H])([2H])O[C@@H]1CC[C@H](C[C@@H]1OC)C[C@@H](C)/C=C/C(=O)[C@H](C)/C=C(\C)/[C@H]([C@H](C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)/[C@@H](C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)[O-])O)C)OC)OC)O)O.[Na+] H825292 c1ccc(cc1)CCN2CCC(CC2)N(c3ccccc3)C(=O)CCO H825300 [2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)CCc3ccccc3)C(=O)CCO)[2H])[2H] H825302 C[C@H]([C@H](c1ccc(cc1)O)O)NC H825305 [2H]C([2H])([2H])N[C@H](C)[C@H](c1ccc(cc1)O)O H825307 c1cc(ccc1CCCCCCCCO)CCC(CO)(CO)N.Cl H825310 c1ccc(cc1)C2=NC(c3nncn3-c4c2cc(cc4)Cl)O H825315 CCCC(CC(=O)O)O H825320 CN(CC/C(=N\O)/C(=O)c1cccnc1)N=O H825325 c1ccc(cc1)CCN2CCC(CC2)N(c3ccccc3)C(=O)CCO[C@H]4C([C@H]([C@@H](C(O4)O)O)O)O H825330 Cc1c(cccc1CO)Cc2c[nH]cn2.Cl H825340 [2H]C([2H])(c1cccc(c1C)CO)c2c[15nH]c[15n]2.Cl H825342 C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(CO)O)O)C)O)O H825345 c1c(c(c[nH]1)C(=O)O)CCO H825350 Cc1ccc(c(c1NC(=O)C2CCCCN2C)C)O H825355 [2H]C([2H])([2H])N1CCCCC1C(=O)Nc2c(ccc(c2C)O)C H825357 Cc1ccc(c(c1NC(=O)C2CCCCN2C)C)O H825360 [2H]C([2H])([2H])N1CCCCC1C(=O)Nc2c(cc(cc2C)O)C H825362 COc1c2c(cc[nH]2)c(cn1)O H825400 COc1c[nH]c(=O)c2c1cc[nH]2 H825405 CC(Cc1ccc(c(c1)OC)O)NC.Cl H825465 [2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)OC)O.Cl H825467 CC(Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC H825470 [2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O H825472 CC(C)NC[C@@H](COc1ccc(c2c1cccc2)OC)O H825500 CC(Cc1ccc2c(c1)OCO2)NO H825505 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CO H825510 [2H]C([2H])([2H])[C@@]12C=CC(=O)C=C1C(=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)CO H825512 CCN(C)CCc1c[nH]c2c1c(ccc2)O H825515 [2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(C)CC H825517 CC(C)n1c2ccc(cc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)O.[Na+] H825520 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])n1c2ccc(cc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)O.[Na+] H825522 CC(CN1CCCCC1)C(=O)c2ccc(cc2)CO.Cl H825525 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)CO)([2H])[2H])([2H])[2H])[2H].Cl H825527 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c1ncnc2N.Cl H825550 CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H825695 CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H825700 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O H825710 C/C=C/1\C2Cc3c(ccc(=O)[nH]3)[C@]1(CC(=C2)C)N H826000 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)[O-].[Co+2] H826800 c1ccc(cc1)C(=O)N[C@H]2CCC[C@H](C2)O H827000 c1ccc(cc1)C(=O)N[C@@H]2CCC[C@H](C2)O H827010 CC(C)C[C@H]1C(=O)N2[C@@H](CCC2O)[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CC5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O H827200 c1cc(ccc1CCO)C=O H827400 [2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H827842 Cc1nnc2n1-c3ccc(cc3C(=NC2O)c4ccccc4)Cl.CO H827850 CCN(CCCc1ccccc1)CCCc2ccc(cc2)O H827950 CCN(CCCc1ccccc1)CCCc2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H827960 CCC(=O)/C(=N/O)/C H827990 CN(C)CC/C=C\1/c2ccccc2CC(c3c1cccc3)O.C(=O)(C(=O)O)O H828100 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)O H828150 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)O H828155 [2H]C1=C2[C@](C[C@@H]3[C@@H]([C@]2(CC(C1=O)([2H])[2H])C)CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)([2H])O H828157 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N H828525 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O H828800 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O H828940 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O H828945 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O.[Na+] H828950 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccccc4[O-])[2H])[2H].[Na+].[Na+] H828952 CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O H828955 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@H](CC(=O)O4)O)C(C)C)C(=O)Nc5ccccc5O)[2H])[2H] H828957 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccc(cc4)[O-].[Na+].[Na+] H828960 CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccc(cc4)[O-].[Ca+2] H828961 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccc(cc4)[O-])[2H])[2H].[Na+].[Na+] H828962 CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O H828963 c1cc(cc(c1)O)C=O H828965 c1cc(ccc1[13CH]=O)O H828972 c1ccc2c(c1)[nH]c(=O)[nH]2 H829000 [2H]c1c(c(c2c(c1[2H])[nH]c(=O)[nH]2)[2H])[2H] H829002 c1c(c(cc2c1OCCO2)O)C(=O)O H829190 c1ccc(cc1)C(=O)c2ccc(cc2)O H829305 c1ccc(cc1)[14C](=O)c2ccc(cc2)O H829307 c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O H829400 [2H]c1c(c(c2c(c1[2H])c(c3c(c(c4c5c3c2c(c(c5c(c(c4O)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] H829402 c1cc2ccc3cc4ccc(cc4c5c3c2c(c1)cc5)O H829410 [2H]c1c(c2c(c(c3c(c4c(c(c(c(c4c5c3c2c(c1[2H])c(c5[2H])[2H])[2H])O)[2H])[2H])[2H])[2H])[2H])[2H] H829412 c1ccc2c(c1)nnn2O.O H829500 c1cc(cc(c1)O)CC2C(=O)NC(=O)N2 H829610 c1cc(cc(c1)O)/C=C/2\C(=O)NC(=O)N2 H829630 c1cc(ccc1CN=C=S)O H829680 CS(=O)(=O)SCc1ccc(cc1)O H829750 CC(=O)c1ccc(cc1O)OCc2ccccc2 H829860 CC(=O)c1cc(ccc1O)OCc2ccccc2 H829870 COC(=O)c1ccc(c(c1)O)OCc2ccccc2 H829900 c1ccc(cc1)COc2ccc3c(c2)c(cc(=O)o3)O H829920 c1ccc(cc1)COc2ccc3c(cc(=O)oc3c2)O H829930 c1ccc(cc1)COc2cccc3c2oc(=O)cc3O H829940 CCOC(=O)C1(CCC2(CC1)OCCO2)[C@H](c3ccc(cc3)OCc4ccccc4)O H829950 c1ccc(cc1)C(O)P(=O)[O-].[Na+] H829960 CC(CCc1ccc(cc1)O)N(Cc2ccc(cc2)O)CC(c3ccc(cc3)O)O H829970 c1cc(ccc1CC2C(=O)NC(=O)S2)O H829980 c1cc(c(c2c1nccn2)Br)NC(=O)NCCN.C(=O)(C(F)(F)F)O H830000 c1cc(ccc1NC2[C@@H]3C[C@@H]4C[C@H]2C[C@@](C4)(C3)O)Br H830010 [2H]c1c(c(c(c(c1NC2([C@@H]3C[C@@H]4C[C@H]2C[C@@](C4)(C3)O)[2H])[2H])[2H])Br)[2H] H830012 c1c(ccc(c1)Br)NC2[C@H]3C[C@@H]4C([C@H](C3)C[C@H]2C4)O H830015 [2H]c1c(c(c(c(c1[2H])Br)[2H])[2H])NC2([C@H]3C[C@@H]4C([C@H](C3)C[C@H]2C4)O)[2H] H830017 c1ccnc(c1)C2=NC(C(=O)Nc3c2cc(cc3)Br)O H830030 [2H]c1c(c(nc(c1[2H])C2=NC(C(=O)Nc3c2cc(cc3)Br)O)[2H])[2H] H830032 CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)NC(CO)C=C H830050 CCOCOc1cc(c(c(c1)OCOCC)C(=O)C)O H830140 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC)O H830170 CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC H830270 [2H]C([2H])(C([2H])([2H])Oc1c(c(nc(n1)c2ncccn2)NS(=O)(=O)c3ccc(cc3)C(C)(C)CO)Oc4ccccc4OC)O H830272 [2H]C([2H])([2H])C(CO)(c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC)C([2H])([2H])[2H] H830273 CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O H830345 [2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H830347 CC1C(OCC(N1)(C)C)(c2cccc(c2)Cl)O H830675 [2H]C([2H])([2H])C1(COC(C(N1)C)(c2cccc(c2)Cl)O)C([2H])([2H])[2H] H830677 c1c(cnc(n1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O)O H830795 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4ncc(cn4)O H830797 c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)C(C3=O)O H830800 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)C(C1=O)O)C([2H])([2H])N3CCN(CC3)c4ncccn4 H830802 CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)NCC(C=C)O H831180 CC1(O[C@@H]2[C@@H](C3CO[C@@H](C2O1)O3)OCC(CO[C@@H]4[C@H]5C([C@H]6OCC4O6)OC(O5)(C)C)NCCCCO)C H831195 CCCCc1ccc(c(c1)C)N/C=N/O H831225 CC(C)(c1ccc(cc1)C#CCCO)C(=O)OC H831250 [2H]C([2H])([2H])C(c1ccc(cc1)C#CCCO)(C(=O)OC)C([2H])([2H])[2H] H831255 c1cc(c(cc1Cn2cncn2)C#CCCO)N H831265 [H-].C(CC(=O)O)CO.[Ca+] H833000 C(CC(=O)[O-])CO.[Na+] H833015 [13CH2]([13CH2][13C](=O)O)[13CH2]O.[NaH] H833017 CC(CC(=O)[O-])O.[Na+] H833020 [2H]C([2H])([2H])C([2H])(CC(=O)[O-])O.[Na+] H833022 C[C@H](CC(=O)[O-])O.[Na+] H833025 [2H][C@](CC(=O)[O-])(C([2H])([2H])[2H])O.[Na+] H833027 C[C@]12C[C@H]([C@@H](C1(C)C)CC2=O)O H843500 c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N H853265 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O H875000 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O H875002 C[C@]12CCC(=O)C=C1C=CC3C2[C@@H](C[C@]4(C3CC[C@@]45CCC(=O)O5)C)O H883500 c1ccc2c(c1)C=Cc3cc(ccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H884095 c1ccc2c(c1)C=Cc3cc(ccc3N2C(=O)N)O H884100 c1ccc2c(c1)C=Cc3ccc(cc3N2C(=O)N)O H884105 c1ccc2c(c1)C=Cc3ccc(cc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H884110 c1ccc2c(c1)c3c([nH]2)cccc3O H884725 Cc1c(c(c(c(c1O)OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCCCCCCCCC(=O)O H884905 Cc1c(c(c(c(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC)OC)O)CCCCCCCCCC(=O)O H884910 CC1(CC(CC(N1O)(C)C)C(=O)OC)C H885000 c1ccc(cc1)C(C(C(=O)[O-])O)NCC(=O)[O-].[K+].[K+] H886125 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O.C(=O)(C(=O)O)O H888500 C[C@H](CO)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)COC.[Na+] H900250 [2H]C([2H])([2H])OCc1c(c(c(nc1[C@H](C)CO)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F.[Na+] H900252 CCN(CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl)CCO H905300 CCN(CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl)CCO H905305 C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O)O H905400 C[C@]12CC(C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O)OO H914685 C1=CC([C@H]2[C@@H]1[C@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)OC(=O)CCC(=O)O H915000 C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4(C3[C@@H]5[C@H]([C@@]2([C@]1(C(=O)CCl)O)C)O5)C H915450 CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO.OS(=O)(=O)O H916900 [2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)CCO.OS(=O)(=O)O H916902 C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C H917500 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4O)O)C)C H917975 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C H917980 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C)C([2H])([2H])[2H] H917982 [2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C H917983 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4OC(=O)C)O)C)C H917985 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4OC(=O)C)O)C)C)C([2H])([2H])[2H] H917987 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H917990 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H] H917992 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H917995 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H] H917997 CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H918000 [2H]C([2H])([2H])C([2H])(CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C([2H])([2H])[2H] H918002 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)CO)C H918005 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(CCC(C)C)O H918010 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H918012 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O H918015 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O H918020 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C H918030 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)CO)C H918070 c1c(cc2c(c1)NC(=O)CC2)OCCCCc3[n@@](nnn3)C4CC[C@@H](CC4)O H918300 CN(C)CCCC1(c2ccc(cc2C(O1)O)C#N)c3ccc(cc3)F H918350 c1c(cc(c(c1Cl)NC2=NCCN2)Cl)O H918400 [2H]C1(C(N=C(N1)Nc2c(cc(cc2Cl)O)Cl)([2H])[2H])[2H] H918402 c1cc2c(c(c1)O)CCN(C2)C(=N)N H918485 c1cc2c(cc1O)CCN(C2)C(=N)N H918490 c1cc2c(cc1O)CN(CC2)C(=N)N H918495 c1cc2c(c(c1)O)CN(CC2)C(=N)N H918500 c1cc2c(c(c1)O)CN(CC2)[13C](=[15NH])[15NH2] H918502 CC(C)(CO)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 H918700 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)CO)[2H])[2H] H918702 CC(c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)O H918800 [2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C([2H])(C)O H918802 CCOC(=O)CC/C(=N\O)/c1cccnc1 H918920 [2H]C1(C(C/C(=N\O)/CC1(C#N)C([2H])([2H])[2H])(C)C)[2H] H918952 CCOC(=O)CCC/C(=N/O)/c1cccnc1 H918980 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@]3([C@H]1C5)O)OC H922200 C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O H922300 [2H][H]C1(C[C@@]2([C@@H]3[C@@H](C[C@H](C2=CC1=O)O)[C@@H]4CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)C([2H])([2H])O)O)C)[H][2H] H922302 [2H][C@]12[C@@H](C[C@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)O H922303 C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O H922310 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C(C2([2H])O)([2H])[2H])C)(C(=O)CO)O H922312 CN1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924500 [2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924502 CN1[C@@H](C[C@@H](C1=O)O)c2cccnc2 H924505 CC(=O)O[C@@H]1C[C@H](N(C1=O)C)c2cccnc2 H924508 [2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924510 CN1[C@@H](C[C@H](C1=O)O)c2cc(cnc2)C(=O)O H924515 CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O)c3cccnc3.[Na+] H924520 CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC)O)O)c3cccnc3 H924523 CN1[C@@H](C[C@@H](C1=O)O)c2cc(cnc2)C(=O)OC H924525 CN1[C@H](C[C@@H](C1=O)O)c2cc(cnc2)C(=O)OC H924526 CN1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O H924530 [2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O H924532 [2H]C([2H])([2H])N1C(C[C@H](C1=O)O)c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O H924535 CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3cccnc3 H924540 [2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3cccnc3 H924542 CN1[C@@H](C[C@H](C1=O)OC(=O)c2ccccc2)c3cccnc3 H924545 CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)c3cccnc3 H924560 CN1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)CCCCCC(=O)[O-] H924580 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@@H]2C[C@H](N(C2=O)C)c3cccnc3)C(=O)OC)OC(=O)C H924635 c1cc(cc2c1ccc(=O)o2)O H924875 c1cc(=O)o[13c]2c1cc[13c]([13cH]2)O H924877 c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)O H924878 c1cc(cc2c1ccc(=O)o2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] H924880 [2H]c1c(c(c(c2c1c(c(c(=O)o2)[2H])[2H])[2H])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H].[Na+] H924882 c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H924883 COC(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Oc2ccc3ccc(=O)oc3c2)O)O)O H924885 [2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2C=Cc3c1cc(cc3)O)C([2H])([2H])[2H] H926002 C1C=C[C@@H]([C@@H]1CO)O H926240 c1ccc(cc1)C[C@@H]2COC(=O)N2C(=O)[C@H]3CC=C[C@@H]3O H926250 C1CO[P@](=O)(N[C@H]1O)N(CCCl)CCCl H926300 C1CO[P@](=O)(N[C@H]1O)N(CCCl)CCCl H926301 [2H]C([2H])(CN(CC([2H])([2H])Cl)[P@@]1(=O)N[C@H](CCO1)O)Cl H926302 C1CC1(C(=O)O)O H927490 C1CCC(CC1)[NH3+].C1CC1(C(=O)O)OP(=O)(O)O H927500 CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)O H931500 CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)OC H931515 CC(C)(CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N)O H931750 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)([C@H]([C@@H]1O)O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O H932500 Cc1cc(cc(c1NC(=O)C2CCCCN2)C)O H941680 CC(CNC)CN1c2ccccc2CCc3c1ccc(c3)O H941685 Cc1cc(cc(c1NC(=O)[C@@H]2CCCCN2)C)O H941690 Cc1cc(cc(c1NC(=O)C2CCCCN2C(=O)OC(C)(C)C)C)O H941700 c1ccc(cc1)[14CH2]c2ccc(cc2)O H941707 c1c(c(cc(c1O)O)O)C[C@@H](C(=O)O)N H941725 c1c(c(cc(c1O)O)O)CCN.Cl H941730 [2H]C([2H])(c1cc(c(cc1O)O)O)C([2H])([2H])N.Cl H941732 COc1cc2c(cc1OC)C(=O)C(C2)C(C3CCN(CC3)Cc4ccccc4)O H941740 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4COc5ccc(cc5O4)O H941760 COc1cc2c(cc1O)c(nc(n2)N3CCN(CC3)C(=O)C4COc5ccccc5O4)N H941765 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4COc5cc(ccc5O4)O H941770 COc1cc2c(cc1O)nc(nc2N)N3CCN(CC3)C(=O)C4COc5ccccc5O4 H941775 CN(C)CC/C=C/1\c2ccccc2COc3c1cc(cc3)O H941785 CN(C)CC/C=C/1\c2ccccc2COc3c1ccc(c3)O H941790 CN(C)CC/C=C/1\c2ccccc2OCc3c1ccc(c3)O H941795 CNCC[C@@H](c1cccs1)Oc2ccc(c3c2cccc3)O H941800 [2H]c1c(c(c2c(c1[2H])c(c(c(c2O[C@@H](CCNC)c3cccs3)[2H])[2H])O)[2H])[2H] H941802 CNCC[C@@H](c1cccs1)Oc2ccc(c3c2cccc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H941805 c1ccc2c(c1)CN(CC2O)C(=N)N H933875 c1ccc2c(c1)CN(CC2O)C(=N)N H933877 CCCCCCCC(CC(=O)O)O H933950 CCCCCCC[C@H](CC(=O)OC)O H934100 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)COC(=O)C H934300 CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)COC(=O)C H934310 Cc1c(c(c(c(n1)CO)C(=O)O)c2ccccc2[N+](=O)[O-])C(=O)OC H934500 CC(C)NCC(COc1ccc(cc1)C(=O)OC)O.Cl H934580 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H934800 C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1C[C@H](C(O3)(O4)C)O)O)C H934950 [2H]C([2H])([2H])[C@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@@H](OC1O)O[C@](O4)([C@@H](C3)O)C)C H934952 C1[C@@H](O[C@@H](C1O)CO)n2c3c(c(=O)[nH]c(n3)N)nc2O H935500 CC1=NC2(C(O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)CO H935805 c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCNCC4 H936100 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)O)([2H])[2H])[2H] H936102 CNCCCN1c2ccccc2CCc3c1ccc(c3)O H936500 [2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1ccc(c3)O H936502 CNCCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H936510 [2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H936512 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3c(c2)CCc4ccccc4N3CCCNC)C(=O)OC)OC(=O)C H936520 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCNCC4)O H936750 [2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC(N1)([2H])[2H])[2H] H936752 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCNCC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H936760 c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2O)Cl H936765 c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4C(C2)O)Cl H936770 CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4O H938000 CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OCCNC)/c3ccccc3 H938495 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 H938500 CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(CC[C@H]34)O H939000 C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]3[C@@]24[C@H]1C[C@H]([C@](O3)(O4)C)O)OC)C H939050 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O H939480 C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O H939500 CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3O)N)COC(=O)N)N H939700 c1ccc2c(c1)CC(=O)N(C2=O)O H939800 c1cc2c(cccn2)c(c1)O H939950 CCCCC(c1c(c2cc(c(cc2[nH]1)C)C(=O)O)CCc3ccccc3)O H939980 CCCCC1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940060 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940062 CC(CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940070 [2H]C([2H])([2H])C([2H])(C([2H])([2H])CC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940072 CN1c2ccc(cc2C(=NCC1=O)c3ccc(cc3)O)Cl H940500 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccc(cc3)O)Cl H940502 C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(cc1)/N=N/c2cc(ccc2O)CC(=O)O H941000 c1ccc2c(c1)ccc3ccc(cc3c2=O)O H941150 c1ccc2c(c1)NC(=O)c3cccc(c3O2)O H941160 c1ccc2c(c1)C(=O)Nc3ccc(cc3O2)O H941165 c1ccc2c(c1)C(=O)Nc3c(cccc3O2)O H941170 [C@H]12[C@H](O1)C3C4C(C2C3O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl H941200 CCN(CC)CCc1c[nH]c2c1c(ccc2)O H941250 [2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(CC)CC H941252 C[C@]12CCC(C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(O5)O)C)O H941280 [2H]C([2H])([2H])CCCc1ncc(n1Cc2ccc(cc2)C(=O)OC)C(C(Cc3cccs3)C(=O)OC)O H941302 C[C@@]1(C(=O)N2[C@H](C(=O)N3[C@H]([C@@]2(O1)O)CCC3O)Cc4ccccc4)NC(=O)[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C H941350 [2H][13C]([2H])([2H])N1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7[C@H]([C@@]6(O5)O)CCC7O)Cc8ccccc8)C H941352 CCOC(=O)N1CCC(CC1)C2(c3ccc(cc3CCc4c2nccc4)Cl)O H941370 CN1CCC(CC1)C2(c3ccc(cc3CCc4c2nccc4)Cl)O H941375 CN1CC[C@]23CC(=O)CC[C@]2([C@H]1Cc4c3c(c(cc4)OC)O)O H941390 c1cc2c(c(c1)O)CCC(=O)N2 H941410 C1COC(=O)[C@H]1O H941420 c1cc2c(cc1O)CCC(=O)N2 H941423 c1c(cc(c(c1I)O)I)S(=O)(=O)[O-].[Na+] H941425 CCOC(=O)C(C)(C)C(C)O H941428 c1ccc(cc1)Cc2ccc(cc2)O H941430 c1c(cc(c(c1I)O)I)CO H941435 Cc1cc(cc(c1NC(=O)C)C)O H941440 C[C@H]([C@@H](c1cnc2c(n1)c(nc(n2)SC)O)O)O H941445 CCCN(CCC)C1CCc2cccc(c2C1)O.Br H941450 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)C1CCc2cccc(c2C1)O.Br H941452 CC(CCCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)O H941460 [2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)O H941462 Cc1cc(c(cc1C)O)C(=O)C H941470 CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO H941480 CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)Cl)Oc4ccccc4OC H941520 C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)OC(=O)C H941540 [2H]C([2H])([2H])[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)OC(=O)C H941580 C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)O H941582 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)CC(C)(C)C)O H941585 CCCCCCCC(C)(C)c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O H941620 [2H]C([2H])([2H])C(CCCCCCC)(c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O)C([2H])([2H])[2H] H941622 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O H941625 C[C@]12CCC(=O)C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(CCCO)O)C)O H941645 C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(O7)O)C H941650 C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57[13CH2][13CH2][13CH](O7)O)C H941652 [2H]c1c(c(c2c(c1[2H])c(c(c(c2O[C@@H](CCNC)c3cccs3)[2H])[2H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] H941807 c1c2c(cc(c1Cl)O)NC(=O)OC2(C#CC3CC3)C(F)(F)F H941820 [2H]C1(C(C1([2H])[2H])C#CC2(c3cc(c(cc3NC(=O)O2)O)Cl)C(F)(F)F)[2H] H941822 c1c(cc(c2c1[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F)O)Cl H941825 [2H]C1(C(C1([2H])[2H])C#C[C@]2(c3cc(cc(c3NC(=O)O2)O)Cl)C(F)(F)F)[2H] H941827 C[C@]12CC[C@@H]3c4ccc(cc4[C@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O H941845 C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O H941850 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34O H941860 C[C@]12CCC(=O)C=C1[C@@H]([C@H]([C@@H]3C24C(O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC)O H941865 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](c4c3ccc(c4)O)O)C H941870 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](c4c3ccc(c4)O)O)C H941875 C[C@]12CCC3=C4CC[C@@H](C=C4CC[C@H]3[C@@H]1CCC2=O)O H941880 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 H941885 CC(CSCCO)O H942310 CCc1cc(cc2c1[nH]c3c2CCOC3(CC)CC(=O)O)O H942325 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=C)C4=CC(=O)C=C[C@]34C H942340 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC(=C)C4=CC(=O)C=C[C@]34C)C)O H942342 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OS(=O)(=O)N)CC(=C)C4=CC(=O)C=C[C@]34C H942345 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC(=C)C5=CC(=O)C=C[C@]35C H942350 [2H]C([2H])([2H])[C@@]12C=CC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C H942352 c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3.Cl H942380 c1ccc(c(c1)CCN2CCC3(CC2)CNC(=O)O3)O H942385 c1cc(cc(c1)O)CCN2CCC3(CC2)CNC(=O)O3 H942390 c1cc(ccc1CCN2CCC3(CC2)CNC(=O)O3)O H942395 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)CC(c3ccccc3)O.Cl H942402 c1ccc(cc1)C(COC(=O)N)(COC(=O)N)O H942405 [2H]C([2H])(C(c1ccccc1)(C([2H])([2H])OC(=O)N)O)OC(=O)N H942407 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)C[C@@H]([C@@H]4[C@@]3(C=CC(=O)N4)C)O H942410 Cc1c(cccc1Nc2c(cc(cn2)O)C(=O)O)C(F)(F)F H942420 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O H941890 [2H][C@]1([C@]2(CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)O)C)O H941892 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O H941895 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]2CC1([2H])[2H])O)O)C)O H941897 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O H941900 [2H]c1cc2c(c(c1O)[2H])C(C[C@@H]3[C@@]2(CC[C@]4([C@H]3C[C@H](C4=O)O)C)[2H])([2H])[2H] H941902 CC12CCC3c4ccc(cc4CCC3C1CC(C2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O H941905 C1CN(CCN1)CCOCCO H941910 CCc1cc2c(s1)-n3c(nnc3CO)CN=C2c4ccccc4Cl H941915 C1C[N+](CCN1)(CCOCCO)[O-] H941920 CS(=O)(=O)OCCc1ccc2c(c1)C(CO2)O H941925 [2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)C([C@@H]1O)([2H])[2H])C)[2H] H941932 C[C@]12CC[C@@H]3c4ccc(cc4[C@H](C[C@H]3[C@@H]1CCC2=O)O)O H941935 C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CCC2=O)O)O H941940 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2=O)O)O H941945 [2H]c1c2c(c(c(c1O)O)[2H])[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C H941947 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)O H941950 [2H]c1c(c(c(c2c1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C)O)O)[2H] H941952 C(=C/O)\Nc1[nH]c(nc(=O)n1)N H941955 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2(C#C)O)O)O H941960 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2(C#C)O)O)O H941965 C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)CCO)C H941970 c1ccc2c(c1)[nH]c(=O)n2CCO H941975 C(CSC[C@@H](C(=O)O)N)O H941980 [2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)N)O H941982 c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)NCCO H941985 [2H]C([2H])(C([2H])([2H])O)Nc1c2c(ncn1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H941987 c1nc2c(=N)n(cnc2n1[C@H]3C[C@H]([C@H](O3)CO)O)CCO H941990 [2H]C([2H])(C([2H])([2H])O)n1cnc2c(c1=N)ncn2[C@H]3C[C@H]([C@H](O3)CO)O H941992 CC(c1cccc(c1)C(=O)c2ccccc2)O H941995 C1C([C@H]([C@H](C(N1CCO)CO)O)O)O.Cl H942000 C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O)O H942010 C1C([C@H]([C@H](C(N1CCO)CO)O)O)O.Cl H942015 c1nc2c(n1[C@H]3C[C@H]([C@H](O3)CO)O)nc(nc2OCCO)N H942020 [2H]C([2H])(C([2H])([2H])Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)O H942022 C1C([C@H]([C@@H](C(N1CCO)CO)O)O)O.Cl H942030 CC(=O)c1cc(ccc1OC)CCO H942040 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)CCO H942060 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)C(=O)O H942070 [2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)O H942072 CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)OC)C(=O)OC H942075 [2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O H942077 c1cc(c2c(c1)NC(=O)C2)CCO H942090 C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O)n5cnc(c-6ncnc56)N H942100 C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O)n5cnc6c5c(=O)[nH]c(n6)N H942115 C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)O)n5cnc6c5c(=O)[nH]c(n6)N H942120 C(CSSCCO)C(=O)O H942130 c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCOCCO)/c4cc(ccc4S2)C(F)(F)F H942135 [2H]C([2H])(C([2H])([2H])OCCO)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F H942137 c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCO)F H942140 C(CC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.Cl H942155 C(CC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N H942156 C(CO)NCC(=O)O H942175 c1nc(c2c(n1)ncn2CCO)N H942190 [2H]C([2H])(C([2H])([2H])O)n1cnc2c1c(ncn2)N H942192 c1nc2c(n1COCCO)c(=O)[nH]c(n2)N H942195 [2H]C([2H])(C([2H])([2H])OCn1cnc2c1c(=O)[nH]c(n2)N)O H942197 c1nc2c(n1CCO)c(=O)[nH]c(n2)N H942200 [2H]C([2H])(C([2H])([2H])O)n1cnc2c1c(=O)[nH]c(n2)N H942202 C1CN(C(=S)N1)CCO H942205 [2H]C([2H])(C([2H])([2H])O)N1CCNC1=S H942207 C(CO)NC(=O)/C=C\C(=O)O H942210 CC(=C)C(=O)OCCO H942230 CS(=O)(=O)SCCO H942250 [2H]C([2H])(C([2H])([2H])SS(=O)(=O)C)O H942260 Cc1ccc(cc1)S(=O)(=O)NCCO H942265 Cc1ncc(n1CCOCCO)[N+](=O)[O-] H942280 B(F)(F)F.CN\1c2ccccc2S/C1=C/C=C/c3cc[n+](c4c3cccc4)CCO.[F-] H942285 CC(c1ccc2c(c1)N(c3ccccc3S2=O)CCCN(C)C)O H942290 [2H]C([2H])([2H])C([2H])(c1ccc2c(c1)N(c3ccccc3S2=O)CCCN(C)C)O H942292 CC(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O H942295 [2H]C([2H])([2H])C([2H])(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O H942297 CC(C)[C@@H](C(=O)O)NCCO H942300 [2H]C([2H])(C([2H])([2H])O)NC(C(C)C)C(=O)O H942302 [2H]C([2H])([2H])c1c(cccc1Nc2c(cc(cn2)O)C(=O)O)C(F)(F)F H942422 c1ccc-2c(c1)Cc3c2ccc(c3)O H942430 [2H]c1c(c(c2c(c1[2H])-c3c(c(c(c(c3C2([2H])[2H])[2H])O)[2H])[2H])[2H])[2H] H942432 c1cc2c(cc1C(F)(F)F)N(c3ccc(cc3S2)O)CCCN4CCN(CC4)CCO H942435 [2H]C1(C(N(C(C(N1CCCN2c3ccc(cc3Sc4c2cc(cc4)C(F)(F)F)O)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] H942437 CC(c1ccc(c(c1)F)c2ccc(cc2)O)C(=O)O H942440 [2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)O)C(=O)O H942442 COC(=O)Nc1[nH]c2ccc(cc2n1)C(c3ccc(cc3)F)O H942455 CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O H942475 [2H]C([2H])([2H])C(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C([2H])([2H])[2H])O H942477 c1cc(ccc1CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)O)C3CCCCC3)O)O H942500 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2CCN(C(C2)O)C(=O)Oc3ccc4c(c3)c(c5c(n4)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC)([2H])[2H])([2H])[2H])[2H] H943542 CCc1c2cc(ccc2nc-3c1C(n4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O)OC(=O)N6CCC(CC6)N7CCCCC7 H943545 C[C@@H](CO)C(=O)OC H943555 C[C@H](CO)C(=O)OC H943558 c1ccc2c(c1)C(CNC2=O)O H943560 c1cncc(c1C(=O)O)O H943565 C[C@@H]([C@@H](C)O)[C@H](C(=O)O)N H943570 CC(C)NCC(COc1ccc(cc1)C(=O)O)O H943575 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)C(=O)O)O H943577 c1cc(c(cc1C(=O)O)C(=O)O)O H943580 c1c(snc1O)C(=O)N H943585 c1c(c(no1)C(=O)O)O H943590 C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)c3c(con3)O)SC1)C(=O)O H943595 CC(C(C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl H943600 [2H]C([2H])([2H])C([2H])(C([2H])(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl)O H943602 c1ccc2c(c1)cccc2OCC(CN3C(=O)CCC3=O)O H948605 [2H]c1cc2ccccc2c(c1[2H])OC([2H])([2H])C([2H])(C([2H])([2H])N3C(=O)CCC3=O)O H948607 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O H948610 COC(=O)/C=C/C(=O)c1cccc(c1[N+](=O)[O-])O H948615 c1cc(c(c(c1)O)[N+](=O)[O-])C(=O)/C=C/C(=O)O H948620 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)CO)C H942530 [2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)CO)C H942532 c1cc(ccc1CO)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 H942545 [2H]C1(C2CCCC2C(N1NC(=O)NS(=O)(=O)c3ccc(cc3)CO)([2H])[2H])[2H] H942547 C([C@@H](C(=O)O)N)[C@H](C(=O)O)O H942550 C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O H942555 C(CC(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+] H942565 C(CC(=O)[O-])[C@@H](C(=O)[O-])O.[Na+].[Na+] H942570 C(CC(=O)[O-])C(C(=O)[O-])O.[Na+].[Na+] H942575 C(CC(=O)[O-])C(C(=O)[O-])O.[Zn+2] H942577 C(C(CC(=O)O)O)C(=O)O H942580 COC(=O)CC(CC(=O)OC)O H942590 CCCCCCCCOC(=O)[C@@H](CCC(=O)[O-])O.[Na+] H942595 CCCCCCCCOC(=O)[C@H](CCC(=O)[O-])O.[Na+] H942596 COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@@H](C3)O)Cl H942615 COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@H](C3)O)Cl H942620 [2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@H](C3)O)Cl H942622 COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)O H942625 [2H][13C](Oc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)O)([2H])[2H] H942627 COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)O H942630 Cn1c2c(cccc2O)c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl H942675 [2H]C([2H])([2H])n1c2c(cccc2O)c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl H942677 c1c(cc(c(c1Cl)C=NNC(=N)N)Cl)O.Cl H942710 C(=N)(N)NO H942750 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2O)O)O)O H942770 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2O)O)O)O H942772 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O H942780 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O H942782 c1c(c(cc(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)O)Cl)Cl H942790 [13cH]1[13c]([13c]([13cH][13c]([13c]1Cl)Cl)Cl)[13c]2[13c]([13c]([13c]([13c]([13c]2Cl)Cl)O)Cl)Cl H942792 C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O H942810 CC(CCCC(=O)[O-])O.[Na+] H942825 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)n(n1)C H942840 CS(=O)(=O)SCCCCCCO H942850 c1cc(ccc1C(C#N)C2(CCCCC2)O)O H942855 CC(C)C(c1ccc(cc1)C(C)C(=O)O)O H942858 CC(c1ccc(cc1)CC(C)(C)O)C(=O)O H942860 [2H]C([2H])([2H])C(Cc1ccc(cc1)C(C)C(=O)O)(C([2H])([2H])[2H])O H942862 CC(C)Cc1ccc(cc1)C(C)(C(=O)O)O H942863 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(C#N)C3(CCCCC3)O)C(=O)OC)OC(=O)C H942865 c1cc(ncc1O)I H942870 c1ccc2c(c1)cc[nH]c2=O H942875 CC(C)N(C)CCc1c[nH]c2c1c(ccc2)O H942880 [2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(C)C(C)C H942882 c1ccc(c(c1)C(=O)NCC(=O)O)O H942885 c1ccc(c(c1)C(=O)[15NH][13CH2][13C](=O)O)O H942887 C1(C(=O)NC(=O)N1)O H943000 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5O)O H943010 CC(=O)c1cc(ccc1O)CCO H943020 Cc1c(c(c(c(c1O)OC)OC)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)[O-])O)O)O)CCCCCCCCCCO.[Na+] H943040 Cc1c(c(c(c(c1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)[O-])O)O)O)OC)OC)O)CCCCCCCCCCO.[Na+] H943045 c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CCc4ccc(c(c4)CCO)O)C(=O)N H943065 c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)OCC(c3ccc(c(c3)CO)O)O)O H943080 CN(C[C@@H](c1cccc(c1)O)O)C(=O)CC(C(=O)O)O H943090 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(C4=CC(=O)C=C[C@]34C)(CO)O H943105 C[C@@H]1[C@@H]([C@](NC1=O)([C@@H](C(C)C)O)C(=O)O)O H943120 c1ccc2c(c1)c(=O)c(c(o2)CCCCCO)O H943150 c1[nH]c(c(n1)O)C(=O)N H943250 CNC(=O)c1cccc(c1O)Cc2c[nH]cn2 H943265 Cc1ccc(c(c1C(=O)N)O)Cc2c[nH]cn2.Cl H943270 COC(=O)/C(=N/O)/c1c[nH]c2c1cccc2 H943280 C/C(=N\O)/C(NCCC(CCNC(/C(=N/O)/C)(C)C)CCNC(=O)CCCC(=O)Oc1c(c(c(c(c1F)F)F)F)F)(C)C H943300 CCOC(=O)CC(=O)/C(=N/O)/C(=O)OCC H943315 CCNC(=O)CC/C(=N\O)/C H943325 CN(C)CCCN1c2ccccc2CCc3c1ccc(c3)O H943400 [2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1ccc(c3)O)C([2H])([2H])[2H] H943402 CN(C)CCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H943410 [2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C([2H])([2H])[2H] H943412 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3c(c2)CCc4ccccc4N3CCCN(C)C)C(=O)OC)OC(=O)C H943415 c1ccc2c(c1)CC(C2)O H943420 CC1Cc2cc(ccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl)O H943450 CC1Cc2cc(ccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl)OC H943455 c1cc2c(c(c1)O)CC=C2 H943500 c1cc2c(cc[nH]2)cc1O H943510 c1cc2c(cc[nH]2)c(c1)O H943515 c1cc2cc[nH]c2c(c1)O H943520 CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=O)C H943525 CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=O)C H943530 CC(C)(c1ncc(n1C)[N+](=O)[O-])O H943535 [2H]C([2H])([2H])n1c(cnc1C(C)(C)O)[N+](=O)[O-] H943537 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6O)N7CCCCC7 H943540 [2H]C([2H])([2H])C([2H])(C([2H])(C([2H])([2H])[2H])O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl H943603 CC(C)(CC(=O)O)O H943605 CCOC(=O)c1c(c(on1)C(=O)OCC)O H943610 C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C H943625 [2H]C1(C[C@H]2[C@H]3[C@H](CC[C@@]2([C@H]1[C@H](C)C([2H])([2H])CCC(C)CO)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)[2H] H943627 C(C(C(=O)O)O)C(=O)C(=O)O H943645 c1cc(ccc1C(=O)c2ccc3n2CCC3C(=O)O)O H943650 [2H]C1(C(c2ccc(n2C1([2H])[2H])C(=O)c3ccc(cc3)O)C(=O)O)[2H] H943652 COC(=O)C1(CCn2c1ccc2C(=O)c3ccccc3)O H943655 [2H]C([2H])([2H])OC(=O)C1(CCn2c1ccc2C(=O)c3ccccc3)O H943657 c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(=O)CC(C(=O)O)N H943660 CN1CCC(CC1)C2(c3ccccc3C=C(c4c2ccs4)OC)O H943670 CN1CCC(CC1)C2(c3ccccc3CC(=O)c4c2ccs4)O H943680 Cc1cc(ccc1OCc2ccccc2/C(=N\OC)/C(=O)O)O H943690 c1cc(c(c(c1)O)N)C(=O)CC(C(=O)O)N H943695 c1cc(c(c(c1)O)N)C(=O)C[13CH]([13C](=O)O)[15NH2] H943697 Cc1c(ccnc1CSc2[nH]c3cccc(c3n2)O)OCC(F)(F)F H943700 Cc1c(ccnc1CS(=O)c2[nH]c3cc(ccc3n2)[O-])OCC(F)(F)F.[K+] H943711 Cc1c(ccnc1CSc2[nH]c3cc(ccc3n2)O)OCC(F)(F)F H943715 c1cc(ccc1[C@H]2CN3CCSC3=N2)O H943720 c1ccc(c(c1)[C@H]2CN3CCSC3=N2)O H943725 CN1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O H943730 [2H]C([2H])([2H])N1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O H943732 CC(C)[C@@H]([C@H](C(=O)O)N)O H943740 CC(C)[C@H]([C@@H](C(=O)O)N)O H943745 CC(=O)O.C(C[C@@H](C(=O)O)N)CN/C(=N\O)/N H943750 c1cc(ccc1C(F)(F)F)NC(=O)c2cnoc2CO H943760 [2H]c1c(c(c(c(c1C(F)(F)F)[2H])[2H])NC(=O)c2cnoc2CO)[2H] H943762 CCNCC(=O)Nc1c(ccc(c1C)O)C H943800 [2H]C([2H])([2H])C([2H])([2H])NCC(=O)Nc1c(ccc(c1C)O)C H943802 CCN(CC)CC(=O)Nc1c(ccc(c1C)O)C H943820 [2H]C([2H])([2H])C([2H])([2H])N(CC)CC(=O)Nc1c(ccc(c1C)O)C H943822 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)[C@@H](C)[C@H](C)O H943850 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC1 H943870 [2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC(N1C(=O)OCC)([2H])[2H])[2H] H943872 CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3cc(ccn3)O H943880 CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)(F)F.C1CCC(CC1)NC2CCCCC2 H943890 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)(F)F.C1CCC(CC1)NC2CCCCC2 H943892 CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)O)O)(F)F H943895 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)O)O)(F)F H943897 C(CC(C(=O)O)N)C(CN)O.Cl H943900 c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@@H]6[C@H](C5=O)C7CC6C[C@@H]7O.c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@H]6[C@@H](C5=O)C7CC6C[C@H]7O.Cl.Cl H943905 [2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H](C3=O)C5CC4C[C@@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@H]4[C@@H](C3=O)C5CC4C[C@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].Cl.Cl H943907 c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@@H]6[C@H](C5=O)C7CC6C[C@H]7O.c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@H]6[C@@H](C5=O)C7CC6C[C@@H]7O.Cl.Cl H943910 [2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H](C3=O)C5CC4C[C@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@H]4[C@@H](C3=O)C5CC4C[C@@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].Cl.Cl H943912 C1=CC(=O)N(C1=O)O H943920 c1cc(cc(c1)O)C(C#N)O H944375 CC(=O)OC(C#N)c1cccc(c1)O H944380 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@](C4=CC(=O)CC[C@]34C)(C)O)C)OC(=O)C H944500 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@](C4=CC(=O)CC[C@]34C)(C)O)C)OC(=O)C H944505 c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)NO H944585 CC(=O)NCCc1c[nH]c2c1cc(c(c2)O)OC H944625 [2H]C([2H])(c1c[nH]c2c1cc(c(c2)O)OC)C([2H])([2H])NC(=O)C H944627 C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)O)N)C.Cl H944700 CCOC(=O)C1(CCN(CC1)C)c2cccc(c2)O.Cl H944780 [2H]C1(CN(CC(C1(c2cccc(c2)O)C(=O)OCC)([2H])[2H])C)[2H].Cl H944782 CC[C@@]1(C(=O)N(C(=O)N1)C)c2ccc(cc2)O H944870 CCC1(C(=O)N(C(=O)N1)C)c2ccc(cc2)O H944875 [2H]C([2H])([2H])N1C(=O)C(NC1=O)(CC)c2ccc(cc2)O H944877 CC(CC(C)(COC(=O)N)COC(=O)N)O H945100 [2H]C([2H])(C(C)(CC(C)O)C([2H])([2H])OC(=O)N)OC(=O)N H945102 c1cc2c(cc1O)nc([nH]2)S H945720 C1[C@@H]2C(C[N@](C1)CC2)(O)CS H945735 c1c2c([nH]n1)nc(nc2O)S H945750 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC)O H945850 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O)OC H945855 CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O H945925 [2H]C([2H])([2H])N(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O H945927 CC(Cc1ccc(c(c1)OC)O)N.Cl H945980 [2H]C([2H])([2H])Oc1cc(ccc1O)CC(C)N.Cl H945982 COc1cc(ccc1C=O)O H946030 [2H]C([2H])([2H])Oc1cc(ccc1O)C=O H946042 COc1cc(ccc1O)C=NOC H946070 [2H]C([2H])([2H])Oc1cc(ccc1O)C=NOC H946072 COc1ccc2c(c1)nc([nH]2)O H946100 CCOC(=O)CCC(CO)NC(=O)OC H946135 COc1ccc2c(c1)CCCC2(c3ccc(cc3)OCc4ccccc4)O H946150 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(C4=CC(=O)C=C[C@]34C)(COC)O H946155 [2H][C@](C([2H])([2H])CCCC(=O)OC)(C([2H])([2H])COC)O H946162 COc1ccc(cc1O)/C=C/C(=O)O H946180 [2H]C([2H])([2H])Oc1ccc(cc1O)/C=C/C(=O)O H946182 CCCCCCCCCCCCCCCC(=O)NCC(CO)OC H946210 [2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)OC)O H946292 CNCC[C@@H](c1cccs1)Oc2cccc3c2ccc(c3O)OC H946300 CNCC[C@@H](c1cccs1)Oc2cccc3c2ccc(c3OS(=O)(=O)[O-])OC.[Na+] H946305 CN1CC[C@]23CC4(CC[C@]2([C@H]1Cc5c3c(c(cc5)OC)Oc6ccccc6)O)OCCO4 H946310 CC(C)NCC(COCC(COc1ccc(cc1)CCOC)O)O H946315 COc1[nH]c(=O)c2cc[nH]c2n1 H946325 COc1cc2c(cc1O)CCC2=O H946328 COc1cc2c(cc1O)C(=O)CC2 H946329 COc1cc(ccc1O)C(C(=O)O)O H946330 [2H]C([2H])([2H])Oc1cc(ccc1O)C(C(=O)O)O H946332 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)C(C(=O)O)O H946333 CCOc1cc(ccc1C(=O)OCC)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)OCOC H946335 COc1cc(ccc1O)C(CO)O H946340 [2H]C([2H])([2H])Oc1cc(ccc1O)C(CO)O H946342 COc1ccc(cc1O)C(C(=O)O)O H946345 CC(C(=O)c1ccc(c(c1)OC)O)NC H946350 COc1ccc2c(c1)[C@]34CCN[C@H](C2)[C@@]3(CCC5(C4)OCCO5)O H946355 CN1CC[C@]23CC4(CC[C@]2([C@H]1Cc5c3cc(cc5)OC)O)OCCO4 H946360 COc1ccc(cc1O)CCC(=O)O H946365 [2H]C([2H])([2H])Oc1ccc(cc1O)CCC(=O)O H946367 Cc1cc(c(cc1OC)C(=O)C)O H946370 CC(C)(C)C(=O)/C=C/c1ccc(c(c1)OC)O H946375 CN(C(=O)[C@H](c1ccccc1)O)OC H946380 CC(=O)CC(=O)/C=C/c1ccc(c(c1)OC)O H946385 CC(C(c1ccc(c(c1)S(=O)(=O)N)OC)O)N.Cl H946390 [2H]C([2H])([2H])C(C(c1ccc(c(c1)S(=O)(=O)N)OC)O)[NH].Cl H946392 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)C=C[C@]34C)CO H946395 CN1C2C[C@@H](CC1CC2)OC(=O)C(c3ccccc3)(CO)CO H946400 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)O[C@H]2CC3N(C(C2)CC3)C)(CO)CO)[2H])[2H] H946402 Cc1c(cccc1O)C(=O)O H946405 [2H]C([2H])([2H])c1c(cccc1O)C(=O)O H946407 COc1ccc(cc1O)CC(=O)O H946410 COc1cc(ccc1O)C2SCCS2 H946420 CS(=O)(=O)SCc1ccc(cc1)CO H946440 c1ccc(cc1)CN2CCOC(C2)CO H946450 c1cc(ccc1CNC(=O)C(F)(F)F)CO H946460 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)CO H946465 CC(C)(C)OC(=O)N1CCOC[C@H]1CO H946470 CC(C)(C)OC(=O)N1CCOC[C@@H]1CO H946475 CC(C)(C)OC(=O)N1CCOC(C1)CO H946480 CC(C(C)O)C(=O)O H946485 CCOC(=O)C(C)C(C)O H946490 C/C(=C\CNc1c2c(cnn1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)/CO H946500 CC(C)C(C(=O)O)O H946510 C[C@@H]([C@@H](C(=O)NOC)NC(=O)OC(C)(C)C)O H946520 c1ccc2c(c1)C(c3ccccc3N2C(=O)N)CO H946550 c1cc(ccc1CO)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F H946580 [2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3ccc(cc3)CO)[2H])[2H])S(=O)(=O)N)[2H] H946582 CCOC(=O)C([C@@H](CCCCCCCCCCCC(C)C)O)/N=C\1/C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C H946595 CC(CCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl)O H946600 CCCC(c1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl)O H946605 c1cc(ccc1C(=O)c2ccc(cc2CO)C#N)Cl H946610 c1cc2c3c(c1)[nH]cc3C[C@@H]4[C@@H]2C[C@H](CN4C#N)CO H946615 Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)CO H946625 c1c(c(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N)CO H946630 [2H]c1c(c(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N)C([2H])([2H])O H946632 [2H]C([2H])(c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C H946637 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)CO H946642 CC1(O[C@H](C[C@@H](O1)CO)CC(=O)OC(C)(C)C)C H946655 CC1(O[C@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C H946660 CC1(O[C@@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C H946665 CC1(O[C@@H](CC(O1)CO)CC(=O)OC(C)(C)C)C H946670 Cc1cc(cnc1C)CO H946690 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)/C(=C\O)/C[C@]34C H946700 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([13C]#[13CH])O)CCC4=CC(=O)/C(=[13CH]\O)/C[C@]34C H946702 C[C@]12CC[C@@H](CC1=C[C@@H](C3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)OC(=O)C(C)(C)C H946725 CC(C)NCC(COc1ccc(cc1)C=O)O H946735 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)C=O)O)NC(C)C H946737 CC(C)(C)OC(=O)n1cc(c2c1cccc2)CO H946760 Cc1c(cccc1C(C)c2cnc[nH]2)CO H946770 [2H]C([2H])(c1cccc(c1C)C(C)c2c[15n]c[15nH]2)O H946772 CC(C)NCC(COc1ccc(cc1)C(=O)OCCO)O H946790 CC(C)NCC(COc1ccc(cc1)C(=O)OCCOC(C)C)O.Cl H946800 Cc1ccccc1n2c(nc3ccc(cc3c2=O)O)C H946815 CN(C)CCc1c[nH]c2c1cc(cc2)CO H946830 [2H]C([2H])(c1ccc2c(c1)c(c[nH]2)C([2H])([2H])C([2H])([2H])N(C)C)O H946832 C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CO H946850 CCOC(=O)c1c(nc([nH]1)CC(C)C)C(C)(C)O H946880 [2H]C([2H])([2H])C(c1c([nH]c(n1)CC(C)C)C(=O)OCC)(C([2H])([2H])[2H])O H946882 CCCc1[nH]c(c(n1)C(=O)OCC)C(C)(C)O H946900 CCC(C)(C)CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O H946950 CC(C)CCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O H946955 CC(CO)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H946980 [2H]C([2H])([2H])C(CO)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O H946982 C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC(=O)C4)C)O H946990 C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O H946995 c1cc(oc1CO)C=O H947000 [13cH]1[13cH][13c](o[13c]1[13CH2]O)[13CH]=O H947002 c1cc(oc1CO)C(=O)O H947020 CC1=CC(=O)OC1O H947030 c1cc(oc1CO)CO H947050 CC(CC=C)(CC=C)O H947425 CC1(C(=O)NC(=O)N1)O H947500 c1c(nc[nH]1)CO.Cl H947625 c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(nc[nH]1)CO H947628 CC1C=C(NC1=O)NCCC[C@@H](C(=O)O)N H947635 [2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])NC1=NC(C(=O)N1)C H947637 Cc1cc(no1)O H947650 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)CO)Cl)CC1 H947745 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4CO)Cl)CC1 H947750 CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO H947765 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO)C([2H])([2H])[2H] H947767 Cn1c(ncn1)CO H947770 CCCCCCCC/C=C\CCCCCCC(C)(C(=O)O)O H947775 CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)CO H947780 [2H]C([2H])([2H])N1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)CO H947782 COC(=O)c1cc(cc(n1)C(=O)OC)CO H947790 Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CO H947795 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ncc(s3)CO H947810 Cc1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)CO H947815 [2H]C([2H])([2H])c1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)CO H947817 CC(=C)[C@@H]1CCC(C=C1)(CO)O H947820 COc1ccc(cc1O)C=O H947825 [2H]C([2H])([2H])Oc1ccc(cc1O)C=O H947827 c1cc2c3c(c1)[nH]nc3-c4cc(ccc4C2=O)CO H947830 CC(=C)[C@@H]1CCC(C=C1)(COC(=O)C)O H947835 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(onc3c4c(cccc4Cl)F)CO)C(=O)O)C H947840 Cc1c(cccc1Nc2ccccc2C(=O)O)CO H947845 Cc1c(cccc1Nc2ccccc2C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)CO H947848 CC1(CCCCC1)CO H947850 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2CO H947855 c1ccc(c(c1)C(=O)O)Nc2c(ccc(c2Cl)CO)Cl H947860 [2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2c(ccc(c2Cl)CO)Cl)[2H])[2H] H947862 c1ccc(cc1)C(=O)c2ccc(cc2CO)C#N H947880 Cc1c([n+](cc(c1OC)CO)[O-])C H947890 CCCN(CCC)CCc1cccc2c1CC(=O)N2CO H947900 [2H]C([2H])(CC)N(CCc1cccc2c1CC(=O)N2CO)C([2H])([2H])CC H947902 CC[C@H]1CN2CC[C@@]3(c4c(cccc4OC)N=C3[C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)O H947910 CCOC(=O)C(c1ccc(c(c1)O)OC)O H947920 Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CO H947930 C[C@]12CC[C@@H](C1(C)C)[C@H]([C@@]2(C)O)O H947935 [2H]C([2H])([2H])[C@]1([C@@H]([C@H]2CC[C@]1(C2(C)C)C)O)O H947937 C[C@]12C[C@H]([C@@H](C1(C)C)C[C@@]2(C)O)O H947940 [2H]C([2H])([2H])[C@]1(C[C@H]2[C@@H](C[C@]1(C2(C)C)C)O)O H947942 C[C@]1(C[C@H]2C[C@H]([C@]1(C2(C)C)C)O)O H947945 [2H]C([2H])([2H])[C@]1(C[C@H]2C[C@@H]([C@]1(C2(C)C)C)O)O H947947 Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)CO H947950 C[C@]1(CCC2=C1CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)CO H947965 [2H]C1=C[C@@]2([C@H]3CCC4=C([C@@H]3CC(C2=C(C1=O)[2H])([2H])[2H])CC[C@]4(C)CO)C H947967 C1COCC(N1)CO H947975 CN1CCC=C1c2ccc(nc2)O H947990 c1ccnc(c1)CO H947995 c1cc[n+](c(c1)CO)[O-] H948000 C[n+]1cccc(c1)O.[I-] H948005 [2H]C([2H])([2H])[n+]1cccc(c1)O.[I-] H948007 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]2([C@@]1(C)O)C H948010 Cc1cc(cc(c1OCC(C)N)C)O.Cl H948020 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Oc1c(cc(cc1C)O)C)N.Cl H948022 Cc1cccc(c1OCC(C)NO)C.C(=O)(C(=O)O)O H948025 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Oc1c(cccc1C)C)NO.C(=O)(C(=O)O)O H948027 CC(C)C(=O)Oc1ccc(cc1Cc2ccccc2)CO H948040 CC(C)(CO)NCC(c1cc(c(c(c1)Cl)N)Cl)O H948060 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O H948062 c1cc(cnc1)C(=O)NCO H948100 C[C@H](CO)C(=O)N1CCC[C@H]1C(=O)O H948120 CN1CC[C@@H]([C@H]1c2cccnc2)CO H948175 Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 H948180 [2H]C([2H])([2H])c1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 H948182 Cc1ccc(c(c1)C(CCO)c2ccccc2)O H948185 [2H]C([2H])(C([2H])([2H])O)C([2H])(c1ccccc1)c2cc(ccc2O)C H948187 CN1CC[C@@H]([C@H]1c2cccnc2)COC(=O)CCC(=O)O H948190 CN1CC[C@@H]([C@H]1c2cccnc2)COC(=O)CCC(=O)ON3C(=O)CCC3=O H948195 CC(C)(C1CC(OC1)O)[N+](=O)[O-] H948210 Cc1c(ccnc1C(=O)O)O H948220 Cc1c(cc[n+](c1C(=O)O)[O-])O H948225 Cc1c(ncc(c1OC)C(=O)OC)CO H948230 CC(C)(c1nc(c(c(n1)OC)O)C(=O)OC)NC(=O)OCc2ccccc2 H948240 [2H]C([2H])([2H])Oc1c(c(nc(n1)C(C)(C)NC(=O)OCc2ccccc2)C(=O)OC)O H948242 CC[C@@H](CO)N1CCCC1=O H948245 CNCCCN(C)N(N=O)O H948250 CC1(CC(C(N1O)(C)C)CO)C H948255 CC1(C=C(C(N1O)(C)C)CO)C H948260 [2H]C1=C(C([15N](C1(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])O H948262 CC(CC(=O)O)(CC(=O)O)O H948263 CC1(CC(=O)OC(=O)C1)O H948265 [2H]C([2H])([2H])C1(CC(=O)OC(=O)C1)O H948267 Cn1c2cc(cnc2nc1O)c3ccccc3 H948270 c1ccc(cc1)n2cc(ccc2=O)CO H948275 [2H]c1c(c(c(c(c1[2H])[2H])n2cc(ccc2=O)CO)[2H])[2H] H948277 COCc1ccc(=O)n(c1)c2ccccc2 H948280 Cc1c2ccccc2c(=O)[nH]n1 H948285 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])O H948292 CN(C)CCCC1(c2ccccc2C=Cc3c1cc(cc3)O)O H948295 Cc1ccc(nc1)O H948300 Cc1ccnc(n1)O.Cl H948305 C1CC(=O)N[C@H]1CO H948310 c1cc(cc(c1)Nc2ccncc2S(=O)(=O)N)CO H948315 CN1C(CCC1=O)O H948320 Cc1c(cccn1)O H948325 [2H]C([2H])([2H])c1c(cccn1)O H948327 Cc1[nH]c(=O)c2cccc(c2n1)O H948330 C1C(CNC1=O)CO H948335 CCCN1CCC(CC1)(c2cccc(c2)SC)O H948340 CC(C)(C)OC(=O)N1CCC(CC1)(c2cccc(c2)SC)O H948345 C1[C@H](CN[C@@H]1CO)O.Cl H948350 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CO H948355 CCC(C)(C)C(=O)O[C@H]1CC(C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)CO.[Na+] H948358 C[C@@H]1CCc2c(ccc3c2C(=O)c4cccc(c4C3=O)O)C1 H948360 CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O)CO)C(C)C H948363 CC(C)N(CCC(c1ccccc1)c2cc(ccc2O)CO)C(C)C H948365 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)CO)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] H948367 CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CO)C(C)C H948368 c1ccc2c(c1)cnn3c2nnc3CO H948370 c1c(c(=O)[nH]c(=O)[nH]1)CO H948375 Cn1c(ccn1)O H948380 CS[13CH2][13CH2][13CH]([13C](=O)O)O H948387 CC(C)NCC(COc1ccc(cc1)C(COC)O)O H948390 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)C(COC)O)O)NC(C)C H948392 c1c(n(c(n1)CO)CCO)[N+](=O)[O-] H948395 [2H]C([2H])(C([2H])([2H])O)n1c(cnc1CO)[N+](=O)[O-] H948397 CN1CCN2c3ccccc3Cc4cc(ccc4C2C1)O H948400 [2H]C([2H])([2H])N1CCN2c3ccccc3Cc4cc(ccc4C2C1)O H948402 CN1CCN2c3ccccc3Cc4cc(ccc4C2C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H948405 CN(C)CCc1cn(c2c1cc(cc2)Cn3cncn3)CO.C(=C/C(=O)O)\C(=O)O H948410 CC(CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C H948415 c1ccc(c(c1)C2=NCc3cnc(n3-c4c2cc(cc4)Cl)CO)F H948420 c1ccc(c(c1)C2=NC[13c]3cn[13c](n3-c4c2cc(cc4)Cl)[13CH2]O)F H948422 [2H]c1c2n(c(n1)C([2H])([2H])O)-c3ccc(cc3C(=NC2([2H])[2H])c4ccccc4F)Cl H948423 Cc1ncc2n1-c3ccc(cc3C(=NC2O)c4ccccc4F)Cl H948425 [2H]c1c2n(c(n1)C([2H])([2H])[2H])-c3ccc(cc3C(=NC2([2H])O)c4ccccc4F)Cl.CO H948427 c1ccc(c(c1)C2=NCc3cnc(n3-c4c2cc(cc4)Cl)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)F H948430 Cc1ncc2n1-c3ccc(cc3C(=NC2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)c5ccccc5F)Cl H948435 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCc2ncc3n2-c4ccc(cc4C(=NC3)c5ccccc5F)Cl)C(=O)OC)OC(=O)C H948440 C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CCO)O)c5ccc(cc5)N(C)C H948445 [2H]C([2H])([2H])N(c1ccc(cc1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CCO)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C)C([2H])([2H])[2H] H948447 CN1CCN2c3c(cc(cn3)O)Cc4ccccc4C2C1 H948450 [2H]C([2H])([2H])N1CCN2c3c(cc(cn3)O)Cc4ccccc4C2C1 H948452 CN1CCN2c3c(cc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccccc5C2C1 H948455 [2H]C([2H])([2H])N1CCN2c3c(cc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccccc5C2C1 H948457 CC(C)(c1ccccc1[C@@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948460 CC(C)(c1ccccc1[C@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948461 [2H]C([2H])([2H])C(c1ccccc1[C@@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)(C([2H])([2H])[2H])O H948462 [2H]C([2H])([2H])C(c1ccccc1[C@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)(C([2H])([2H])[2H])O H948463 CC(C)(c1cc(ccc1CCC(c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948465 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@H]3[C@H]1C5)O)O H948470 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@H]3[C@H]1C5)O)O H948472 C1COCCN1c2c(nsn2)O H948475 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc3c(nc2)N4CCN(CC4c5ccccc5C3)C)C(=O)OC)OC(=O)C H948480 c1c2c(c(c(c1F)N3C[C@@H]4CCCN[C@@H]4C3)O)n(cc(c2=O)C(=O)O)C5CC5.Br H948485 CCCCCCCC(CCCCCC(=O)O)O H948490 CCCC(CCCCCCCCCC(=O)O)O H948495 CCCCCCCCCCCCC(C(=O)O)O H948500 CCCCCCCCCCC[C@H](CC(=O)O)O H948505 CCCCCCCCCCC[C@H](CC(=O)OC)O H948508 CCCCCCCCCCC[C@@H](CC(=O)O)O H948510 CCCCCCCCCCC[C@@H](CC(=O)OC)O H948512 CCCCCCCCCCC[C@H](CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 H948515 c1cc2cc(ccc2cc1CC(=O)O)O H948520 COC(=O)Cc1ccc2cc(ccc2c1)O H948525 c1cc2c(cc1F)CCC(O2)C(CNCC(C3CC(c4cc(ccc4O3)F)O)O)O.O.Cl H948530 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2O)[C@@]5(CCC4=O)O)CC6CC6 H948535 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)C[C@@H]5O)O)O H948540 c1cc(ncc1C(=O)O)O H948545 c1cc(ncc1C(=O)NCCO[N+](=O)[O-])O H948550 CN1CCC[C@H]1c2ccc(nc2)O H948555 CS(=O)(=O)Nc1ccc(cc1Oc2ccc(cc2)O)[N+](=O)[O-] H948560 [2H]c1c(c(c(c(c1O)[2H])[2H])Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-])[2H] H948562 c1c(cncc1O)C(=O)O H948565 CC(c1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl)O H948570 [2H]C([2H])(C([2H])([2H])n1c(=O)n(c(n1)C(C)O)CCOc2ccccc2)C([2H])([2H])N3CCN(CC3)c4cccc(c4)Cl.Cl H948572 c1ccc2cc(ccc2c1)C(O)P(=O)(O)O H948575 c1cc2ccc(cc2c(c1)O)OCC(=O)O H948580 c1ccc2cc(c(cc2c1)O)OCC(=O)O H948585 c1cc(cc2c1cc(cc2)OCC(=O)O)O H948590 c1ccc2c(c1)ccc(c2O)OCC(=O)O H948595 CC(=O)c1cccc(c1[N+](=O)[O-])O H948600 Cc1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)O H948625 [2H]C([2H])([2H])c1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)O H948627 Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)O H948630 [2H]C([2H])([2H])c1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)O H948632 c1cc(c2c3c1C([C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O)O H948635 c1cc(c(cc1[N+](=O)[O-])O)C=O H948640 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1[C@@H]5O)O)O H948645 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)C(C(=O)O)O)O H948650 c1cc2cc(cc-3c2c(c1)-c4c3cccc4O)[N+](=O)[O-] H948655 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1[C@H]5O)O)O H948660 c1c(oc(c1O)[N+](=O)[O-])/C=N/N2CC(=O)NC2=O H948665 CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O)[N+](=O)[O-] H948670 c1cc(c(cc1[As](=O)(O)O)[N+](=O)[O-])O H948680 c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O H948685 [2H]c1c(c(c(c(c1C([2H])([2H])C(=O)O)[2H])[N+](=O)[O-])O)[2H] H948687 c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3O)[N+](=O)[O-] H948690 B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)O)[N+](=O)[O-] H948695 [2H]c1c(c(c(c(c1[2H])[2H])CCC(C(=O)OCC)O)[2H])[2H] H949102 [2H]C([2H])([2H])C(=O)C([2H])([2H])Cc1ccc(cc1)O H949107 COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949120 [2H]C([2H])([2H])Oc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949121 COc1cc(ccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949122 COc1cc(ccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949124 COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949125 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c3ccccc3[nH]2)O)NCCOc4cc(ccc4OC)O H949126 COc1ccc(cc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949127 COc1ccc(cc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949129 C1[C@H](CN[C@@H]1C(=O)O)O H952376 [2H][C@@]1(C([C@H](NC1([2H])[2H])C(=O)O)([2H])[2H])O H952377 [2H][C@]1(C[C@H](C(N1)([2H])[2H])O)C(=O)O H952378 C1[C@H](CN[C@@H]1C(=O)O)O H952380 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)O H948715 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C(C(=O)CC[C@H]34)O)C)O H948717 c1cc(c(nc1)O)C(=O)O H948725 c1cc(c(cc1NO)C(F)(F)F)[N+](=O)[O-] H948750 CCCCCCCC/C=C\CCCCCCC(C(=O)O)O H948765 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCC(C(=O)O)O H948767 CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)C(C(=O)O)O.Cl H948770 CCCCCCCCC(=O)c1ccccc1O H948780 CCCCCCCCC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1O H948782 CCCCCCC(CC(=O)O)O H948785 CCCCCCCCC(=O)c1ccc(cc1)O H948790 CCCCCCCCC(=O)[13c]1[13cH]c[13c]([13cH][13cH]1)O.C#C H948792 CC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@]2(C#C)O)O)CCC4=CC(=O)CC[C@H]34 H948795 C(CNC(=N)NO)[C@@H](C(=O)O)N H948800 c1ccc(cc1)N(C2CCNCC2)C(=O)CCO H948805 [2H]c1c(c(c(c(c1[2H])[2H])N(C2CCNCC2)C(=O)CCO)[2H])[2H] H948807 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCN(CC3)O)C(=O)O H948810 CNCC/C=C\1/c2ccccc2CC(c3c1cccc3)O H948815 CNCC/C=C/1\c2ccccc2CC(c3c1cccc3)O.C(=C\C(=O)O)\C(=O)O H948820 C#CCCCCCC/C=C\CCCCCCC(C(=O)O)O H948825 CC(C(c1ccccc1)O)NCCO.Cl H948830 [2H]c1c(c(c(c(c1[2H])[2H])C(C(C)NCCO)O)[2H])[2H].Cl H948832 CC(=O)/C=C/C(CCCNC(=O)OCc1ccccc1)O H948835 CCOC(=O)CC[C@@H](C(=O)OCC)O H948840 Cc1cnc(c(c1O)C)CSc2[nH]c3ccc(cc3n2)OC H948845 c1cc(cnc1)[C@H]2C[C@@H](C(=O)N2)O H948850 C(CCO)CC(C(=O)O)N H948855 C(CCO)C[C@@H](C(=O)O)N H948858 Cc1cnc(c(c1O)C)CS(=O)c2[nH]c3ccc(cc3n2)OC H948860 Cc1c(ncc(c1OC)CO)CS(=O)c2[n-]c3ccc(cc3n2)OC.[Na+] H948863 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([n-]2)S(=O)Cc3c(c(c(cn3)CO)OC)C.[Na+] H948864 CC(=O)CCCCCC/C=C\CCCCCCC(C(=O)O)O H948870 c1ccc(cc1)C(=O)C[C@@H](C(=O)O)O H948875 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C[C@H](C(=O)O)O)[2H])[2H] H948878 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@@H]1C5)O)O)O H948880 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@@H]1C5)O)O)O H948882 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@H]1C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O H948885 [2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@@H]3Cc5c4c(c(cc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O2)C)O)([2H])[2H])([2H])O H948887 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)c5ccccc5)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C H948890 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H]([C@@H]([C@@H]6[C@]5(CO6)OC(=O)C)O)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] H948892 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)O)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C H948895 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)O)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] H948897 C1CCSC(C1)O H948900 C1CCC(CC1)C([C@H]2CC[C@H](CC2)O)CC3NCCCC3 H948905 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([C@H]2CC[C@H](CC2)O)CC3NCCCC3)[2H])([2H])[2H])([2H])[2H])[2H] H948907 C1CCC(CC1)C([C@H]2CC[C@@H](CC2)O)CC3NCCCC3 H948910 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([C@H]2CC[C@@H](CC2)O)CC3NCCCC3)[2H])([2H])[2H])([2H])[2H])[2H] H948912 COc1cc(c(cc1O)CN(CCc2ccc(cc2)O)C=O)Br H948915 c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](CNc3ccc(cc3)N4CCOCC4=O)O H948920 [2H]c1c(c(c(c(c1NC[C@H](CN2C(=O)c3ccccc3C2=O)O)[2H])[2H])N4CCOCC4=O)[2H] H948922 CN(C)c1ccc(c2c1cc3c(c2O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O H948925 COc1ccc(cc1O)CNCCc2ccc(cc2)O H948930 COc1ccc(cc1O)CN(CCc2ccc(cc2)O)C=O H948935 Cc1cnc(c(c1O)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC H948940 CC(C)(C)NC[C@@H](COc1ccc(cc1C2CCCC2)O)O.Cl H948945 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1C2CCCC2)O)O.Cl H948947 c1ccc(cc1)C2(CCCCC2)N3CCC(CC3)O H948950 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCCCC2)N3CCC(CC3)O)[2H])[2H] H948952 c1ccc(cc1)N(C2CCNCC2)C(=O)CCO[C@H]3C([C@H]([C@@H](C(O3)O)O)O)O H948955 CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O H948960 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O H948962 c1ccc(cc1)C(=O)c2ccc(cc2Oc3ccccc3O)[N+](=O)[O-] H948975 c1ccc(cc1)C(=O)c2ccc(cc2O[13c]3[13cH][13cH][13cH][13cH][13c]3O)[N+](=O)[O-] H948977 C=CC[C@H]([C@H](C=C)O)C(=O)N1[C@@H](COC1=O)Cc2ccccc2 H948980 CC(C)(Cc1ccccc1)NO.Cl H948990 C[C@]12CC[C@@H]3[C@H]4CCC5(CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OCCO5 H949000 C1[C@H]([C@H]([C@@H]2[C@H]1O2)O)CO H949005 C[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=C3CCC(=O)C4 H949010 C[C@H](CC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C H949015 C(CCCC/C=C\C=C\C(=O)CCCC(=O)O)CCCCO H949020 c1cc(ccc1CC=O)O H949050 c1cc(ccc1CC(=O)O)O H949060 c1ccc(c(c1)CC(=O)O)O H949065 c1cc(cc(c1)O)CC(=O)O H949070 [2H]C([2H])([2H])/C(=N\O)/C([2H])([2H])Cc1ccc(cc1)O H949077 c1cc(ccc1CC#N)O H949080 c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O H949085 c1ccc(cc1)CC[C@@H](C(=O)O)O H949090 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)O)[2H])[2H] H949093 CCOC(=O)[C@H](CCc1ccccc1)O H949095 CCOC(=O)[C@@H](CCc1ccccc1)O H949096 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)O)[2H])[2H] H949098 COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OS(=O)(=O)[O-].[NH4+] H949135 COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OS(=O)(=O)[O-].[NH4+] H949140 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2)O)Cl)[2H])[2H] H949187 CCC1(C(=O)NC(=O)N1)c2ccc(cc2)O H949220 CC[C@]1(C(=O)NC(=O)N1)c2ccc(cc2)O H949225 CC[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)O H949226 COC(=O)[C@@H]1C[C@H](CN1C2(c3ccccc3-c4c2cccc4)c5ccccc5)O H949230 [2H]c1c(c(c(c(c1[C@H](C(=O)O)N)[2H])[2H])O)[2H] H949252 c1cc(ccc1CCCCCC(=O)O)O H949275 CC(=O)NCCN(C)c1cccc(c1)O H949285 c1ccc(cc1)C2(C(=O)NC(=O)N2)c3cccc(c3)O H949300 COC(=O)c1ccc2c(c1)C(CC(O2)O)c3ccccc3 H949340 Cc1ccc(=O)n(c1)c2ccc(cc2)O H949400 [2H]c1c(c(c(c(c1n2cc(ccc2=O)C)[2H])[2H])O)[2H] H949402 c1ccc(cc1)C(c2ccc(cc2)O)C(=O)c3ccccc3 H949410 CCC(c1ccccc1)C(=O)c2ccc(cc2)O H949415 CCC(c1ccc(cc1)O)C(=O)c2ccccc2 H949420 c1ccc(cc1)COc2ccc(cc2)/C(=C(\CCO)/c3ccccc3)/c4ccc(cc4)O H949425 c1ccc(cc1)/C=C/C(=O)c2ccccc2O H949430 [2H]c1c(c(c(c(c1[2H])[2H])/C=C/C(=O)c2ccccc2O)[2H])[2H] H949432 c1cc(ccc1CC(=O)c2c(cc(cc2O)O)O)O H949445 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)O)([2H])[2H])[2H] H949467 c1cc(ccc1CCC#N)O H949500 c1ccc(cc1)CCC(=O)c2ccccc2O H949600 [2H]c1c(c(c(c(c1[2H])[2H])CCC(=O)c2ccccc2O)[2H])[2H] H949602 CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3O)[nH]n1 H949800 COC(=O)c1ccc(c(c1)[C@@H](CCO)c2ccccc2)O H949900 c1ccc(c(c1)C2CO2)O H950100 c1cc(ccc1C2CO2)O H950110 c1ccc(cc1)n2c3c(cn2)c(ncn3)O H950750 Cn1c2cc(cnc2nc1N)c3ccc(cc3)O H950760 Cn1c2cc(c(nc2nc1N)O)c3ccccc3 H950765 CC(C)c1cc(cc(c1O)C(C)C)O H950770 CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O H950775 CC(C)c1cc(cc(c1O)C(C)C)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O H950780 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)CO)C)OC(=O)C H950785 Cc1cc(c(=O)n(c1)c2ccccc2)O H950790 [2H]c1c(c(c(c(c1[2H])[2H])n2cc(cc(c2=O)O)C)[2H])[2H] H950792 c1cc(c(cc1[N+](=O)[O-])CCl)O H950793 c1ccn(c(=O)c1)c2ccc(cc2)O H950795 CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)O)c2ccccc2[N+](=O)[O-])C(=O)OC H950800 [2H]C([2H])([2H])C(COC(=O)C1=C(NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C)(C([2H])([2H])[2H])O H950802 CCCCCC(CC(=O)O)O H950805 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(CC(=O)O)O H950807 CCOC(=O)C1=C(c2ccccc2NC(=O)C1)O H950810 c1ccc(c(c1)O)OCCN H950813 c1cc(ccc1N2CCCCC2=O)O H950815 c1cc(ccc1CCC(=O)O)O H950820 c1ccc(cc1)c2cc(c[nH]2)O H950825 CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(COc2ccc(cc2C(=O)C)NC(=O)CCC)O H950830 CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)C(C)C)O H950840 c1ccc2c(c1)ccc(c2O)C(=O)O H950850 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)O)NC(=O)C5CCC(CC5)(F)F)C(C)C H950860 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccc(cc4)O)NC(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H] H950862 c1cc([nH]c1)CO H950865 c1cc([nH]c1)CO H950870 CN1C[C@H](OC1=O)c2cccc(c2)O H950880 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cccc(c2)[C@@H]3CN(C(=O)O3)C)C(=O)OC)OC(=O)C H950890 [2H]C([2H])(CCCC(=O)OC)C([2H])(C([2H])([2H])CSCc1ccccc1)O H950902 c1cc(cc(c1)O)CC(=S)N2CCOCC2 H950910 CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OC(=O)C(C)(C)C)/c3ccccc3 H950945 CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OC(=O)C(C)(C)C)/c3ccccc3 H950950 CC(C)[N+](C)(CCOC(=O)C1(c2ccccc2Oc3c1cccc3)O)C(C)C.[Br-] H950970 [2H]C([2H])([2H])[N+](CCOC(=O)C1(c2ccccc2Oc3c1cccc3)O)(C(C)C)C(C)C.[Br-] H950972 C(CO)C#N H951000 [2H]C([2H])(CO)C#N H951002 CCCCCCCCC/C=C\C=C\[C@H](CCCC(=O)O)O H951080 Cc1nccn1CC2CCc3c(c4cc(ccc4n3C)O)C2=O H951145 Cc1nccn1CC2CCc3c(c4ccc(cc4n3C)O)C2=O H951150 Cc1nccn1CC2CCc3c(c4cccc(c4n3C)O)C2=O H951155 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5O)O)O H951200 c1cc(cc(c1)Oc2ccc(cc2)O)C(=O)O H951225 c1cc(cc(c1)Oc2ccc(cc2)O)CO H951235 c1ccc2c(c1)c(=O)nc(o2)c3ccccc3O H951240 [2H]c1c(c(c2c(c1[2H])c(=O)nc(o2)c3ccccc3O)[2H])[2H].[2H]c1c(c(c(c(c1[2H])c2nc(=O)c3ccccc3o2)O)[2H])[2H] H951242 CC(=O)/C=C/c1cccc(c1)O H951250 c1cc(ccc1c2c(=O)[nH]ccn2)O H951260 c1cc(ncc1O)C(=O)O H951275 C[C@]1([C@@H]2C[C@@H](C2(C)C)CC1=O)O H952000 C[C@@]1([C@H]2CC(C2(C)C)CC1=O)O H952020 c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CCO H952060 c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H952065 CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H952070 CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O H952075 [2H]C1(C(=O)NC(=O)S1)Cc2ccc(cc2)OCCc3ccc(cn3)C([2H])(C([2H])([2H])[2H])O H952077 CCc1ccc(nc1)C(COc2ccc(cc2)CC3C(=O)NC(=O)S3)O H952080 CCc1ccc(nc1)CCOc2ccc(cc2)CC3(C(=O)NC(=O)S3)O H952085 CCCN[C@H]1CCc2c(sc(n2)N)[C@H]1O H952140 CCCN[C@H]1CCc2c(sc(n2)N)[C@@H]1O H952145 CCC(C)(C)C(=O)O[C@H]1C[C@@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)OO H952170 CCC(C)(C)C(=O)O[C@H]1C[C@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)OO H952175 CCC(C)(C)C(=O)O[C@H]1CC(=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)OO)C H952180 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC=C2C(=O)CO)CCC4=CC(=O)C=C[C@]34C H952210 CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C H952215 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C H952275 C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)[C@@H](C)[C@@H](C)O)O.[Na+] H952285 C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)[C@@H](C)[C@H](C)O)O.[Na+] H952290 C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)[C@@H](C)[C@H](C)O)O H952293 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C H952295 CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952300 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952302 CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952305 CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952310 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952312 CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952315 [2H]C([2H])([2H])C(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H952322 CN1CCN(CC1)CCCN2c3ccc(cc3Sc4c2cc(cc4)Cl)O H952325 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccc(cc3Sc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H952327 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952330 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])[2H])O)C)C H952332 CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C H952335 C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]5(C6(OCCO6)C)O)C)OCCO3 H952340 CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C H952345 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O H952350 C[C@]12C[C@@H]([C@H]3[C@H]([C@@]1(CC[C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952355 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952360 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952361 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H]2C[C@H](CN2)O H952365 CCCN(CC(C)O)S(=O)(=O)c1ccc(cc1)C(=O)O H952370 [2H]C([2H])([2H])C([2H])(C([2H])([2H])N(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O)O H952372 C1[C@@H](CN[C@@H]1C(=O)O)O H952375 C1[C@@H](CN[C@@H]1C(=O)O)O.Cl H952385 c1ccc2cc(ccc2c1)NC(=O)[C@@H]3C[C@H](CN3)O H952390 COC(=O)[C@@H]1C[C@H](CN1)O.Cl H952395 c1cc2c(cc1)C3N(C(=O)CN(C3)C(=O)C4CC[C@@H](CC4)O)CC2 H952400 [2H][C@]1(C(CC(CC1([2H])[2H])C(=O)N2CC(=O)N3C(C2)c4c(cccc4)CC3)([2H])[2H])O H952402 c1cc2c(cc1)C3N(C(=O)CN(C3)C(=O)C4CC[C@@H](CC4)O)CC2 H952405 [2H][C@]1(C(CC(CC1([2H])[2H])C(=O)N2CC(=O)N3C(C2)c4c(cccc4)CC3)([2H])[2H])O H952407 CC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C H952410 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H952415 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)O H952420 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)O)C([2H])([2H])[2H] H952422 CC(=O)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952425 CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952430 CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H952435 [2H]C([2H])([2H])C([2H])([2H])CNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H952437 [2H]C(=C([2H])[C@@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953247 c1cc(=O)[nH]c2c1cc(cc2)O H953250 c1cc(cc2c1ccc(=O)[nH]2)O H953255 c1cc2cccnc2c(c1)O H953265 c1cc2ccc[n+](c2c(c1)O)[O-] H953270 CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953280 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953282 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)C)C H956730 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O H956735 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@@H](C[C@]34C)O H956740 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2O)c3ccccc3 H995750 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C H995800 [2H]C([2H])([2H])[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C(C)C H995802 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C H995805 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C H995820 CCCNCC(COc1cc(ccc1C(=O)CCc2ccccc2)O)O.Cl H952445 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cc(ccc1C(=O)CCc2ccccc2)O)O)NCCC.Cl H952447 CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952450 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)CCc2ccccc2)O)O)NCCC.Cl H952452 CCCNC[C@H](COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952455 CCCNC[C@@H](COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952460 CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)OS(=O)(=O)O H952465 Cc1ccc(cc1)S(=O)(=O)O[13CH2][13CH2][13C]#N H952472 C(=O)C(C=O)O H952475 C(CO)C(=O)[O-].[Na+] H952480 CCCn1cnc2c1c(=O)n(c(=O)n2C)CCCCC(C)O H952485 [2H]C([2H])(CC(C)O)C([2H])([2H])C([2H])([2H])n1c(=O)c2c(ncn2CCC)n(c1=O)C H952487 c1ccc(cc1)CCC(=O)c2ccccc2OCC(COc3ccccc3C(=O)CCc4ccccc4)O H952500 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)Oc3ccccc3C(=O)CCc4ccccc4 H952502 CC(C)NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)O H952520 C(CO)C(=O)N H952525 CC(C)NC[C@H](COc1ccc(c2c1cccc2)O)O.Br H952530 CC(C)NC[C@@H](COc1ccc(c2c1cccc2)O)O.Cl H952531 CC(C)NC[C@@H](COc1ccc(c2c1cccc2)O)O.Br H952533 CC(C)NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O H952535 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O H952537 CC(C)NCC(COc1cccc2c1cccc2O)O.Cl H952540 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cccc2O)O)NC(C)C H952542 CCCNCC(COc1ccc(c2c1cccc2)O)O H952545 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)O)O H952547 CC(C)NCC(COc1ccc(c2c1cccc2)OS(=O)(=O)O)O H952550 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)OS(=O)(=O)O)O H952552 CC(C)NCC(COc1cccc2c1cc(cc2)O)O H952555 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cc(cc2)O)O)NC(C)C H952557 C[C@H](Cn1cnc2c1ncnc2N)O H952560 [2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1ncnc2N)O H952562 *OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O*)O*)O[C@@H]4[C@H](O[C@H]([C@@H](C4O*)O*)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O*)O*)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O*)O*)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O*)O*)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O*)O*)CO*)CO*)CO*)CO*)CO*)CO*)O*)O*.CCC(C)O H952565 c1cc(ccc1C(=O)O)NCCCO H952570 C(CO)CSC[C@@H](C(=O)O)N H952575 C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5([13CH2][13CH2][13CH2]O)O)C)O)O H952582 C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(C#CCO)O)C)O)O H952585 C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5([13C]#[13C][13CH2]O)O)C)O)O H952587 CC(Cn1cnc2c1c(=O)[nH]c(n2)N)O H952590 [2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1c(=O)[nH]c(n2)N)O H952592 C[C@H](COS(=O)(=O)C)O H952598 C[C@@H](COS(=O)(=O)C)O H952599 CC(COS(=O)(=O)C)O H952600 COc1ccc(cc1)CSCCCO H952605 CC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.Cl H952610 [2H]C([2H])([2H])C(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.Cl H952612 CC(COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)O H952615 [2H]C([2H])(C([2H])(C)O)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H952617 C1COC(=O)N1CCCO H952620 CC(=O)OCCCN1CCOC1=O H952625 CCCC(C(C=C)O)C(=O)OCC H952630 CC(CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N.CC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O H952635 [2H]C([2H])([2H])C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.[2H]C([2H])([2H])C([2H])(C([2H])([2H])O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N H952637 CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)O H952640 CNCCCC1c2ccccc2C=C(c3c1cccc3)O H952650 c1c(ncc(n1)O)C(=O)O H952675 c1cc2ccc3ccc(c4c3c2c(c1)cc4)O H952700 [2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])O)[2H])[2H])[2H])[2H])[2H] H952702 c1cc2ccc3ccc(c4c3c2c(c1)cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H952750 [2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H])[2H])[2H])[2H])[2H] H952752 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3ccc4cccc5c4c3c2cc5)O)O)O H952760 c1ccc2c(c1)C(=C(C2=O)c3ccncc3)O H952820 c1cc(cnc1)C(CCC(=O)O)O.C1CCC(CC1)NC2CCCCC2 H952970 [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])(c1cccnc1)O H952972 c1cc(cnc1)C(=O)CCCO H953000 [2H]C([2H])(CCC(=O)c1cccnc1)O H953001 [2H]C([2H])(CC(=O)c1cccnc1)C([2H])([2H])O H953005 C1[C@H](CNC1=O)O H953070 C1[C@@H](CNC1=O)O H953075 C1C(CNC1=O)O H953080 c1ccnc(c1)O H953170 B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)O H953180 C(C(=O)C(=O)O)OP(=O)(O)O H953190 c1cc(cnc1)O H953195 Cc1cc(nc(n1)Nc2ccc(cc2)O)C H953205 [2H]c1c(c(c(c(c1Nc2nc(cc(n2)C)C)[2H])[2H])O)[2H] H953207 c1c(cncn1)O H953210 c1cc(ccc1COC(=O)N2C[C@@H](C[C@H]2C(=O)O)O)[N+](=O)[O-] H953215 c1ccc2c(c1)C(=Nc3ccc(cc3S2=O)O)N4CCN(CC4)CCOCCO H953220 c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCN(CC4)CCOCCO H953225 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)O)([2H])[2H])[2H] H953227 COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@]4(C=C)O)O H953230 [2H]C(=C([2H])[C@]1(C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953232 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@]4(C=C)O)O H953235 [2H]C(=C([2H])[C@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953237 COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@]4(C=C)O)O H953240 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@]4(C=C)O)O H953245 CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C H953285 [2H]C1(C(CC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/C=O)/C)/C)(C)C)O)[2H] H953287 CCC(=O)NCC[C@@H]1CCc2c1c3c(c(c2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OCC3 H953290 CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C H953295 CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C H953300 [2H]C([2H])([2H])/C(=C\C(=O)O)/C=C/C=C(\C)/C=C/C1=C(C(CCC1(C)C)O)C H953302 CC1=C(C(CC(C1)OC(=O)C)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C H953305 [2H]C1(C(CC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)(C)C)OC(=O)C)[2H] H953307 CC1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C H953310 [2H]C([2H])([2H])C1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C H953312 CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C#N)/C)/C H953315 CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C\C(=C\C=O)\C)/C H953320 c1cc2c(ccc(=O)[nH]2)c(c1)O H953325 c1cc2c(cc1OC(F)(F)F)sc(n2)NO H953330 c1cc2c(cc1OC(F)(F)F)s[13c]([15n]2)[15NH]O H953332 CCOc1cc(ccc1C(=O)OCC)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953335 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(CCCC1(C)C)CO H953340 Cc1c(c(=O)n2c(n1)CCC(C2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953345 [2H]C([2H])(c1c(nc2n(c1=O)CC(CC2)O)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F H953347 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2O)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F H953352 Cc1c(c(=O)n2c(n1)[C@@H](CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953355 Cc1c(c(=O)n2c(n1)[C@H](CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953360 CC([C@]12C[C@@H]3C[C@H](C1)C[C@@H](C3)[C@@H]2O)N H953370 [2H]C([2H])([2H])C([2H])([C@]12C[C@@H]3C[C@H](C1)C[C@@H](C3)C2O)N H953372 CC([C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)N H953375 [2H]C([2H])([2H])C([2H])([C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)N H953377 CC([C@]12C[C@@H]3C[C@H](C1)C([C@@H](C3)C2)O)N H953380 [2H]C([2H])([2H])C([2H])([C@]12C[C@@H]3C[C@H](C1)C([C@@H](C3)C2)O)N H953382 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)N(C)Cc4csc(n4)C(C)(C)O H953390 c1cc(ccc1N2CC(OC2=O)CNC(=O)c3ccc(s3)Cl)N4C(COCC4=O)O H953400 c1c(cc(c(c1F)NC2=NCCN2)Br)O H953405 [2H]C1(C(N=C(N1)Nc2c(cc(cc2Br)O)F)([2H])[2H])[2H] H953407 CCCN(CCC)CCc1cccc2c1CC(=O)N2O H953410 CCCN1CCCCC1C(=O)Nc2c(ccc(c2C)O)C H953420 CCCN1CCCCC1C(=O)Nc2c(cc(cc2C)O)C H953425 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)O H953440 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)CC2C(=O)NC(=O)S2)N(C)c3ccc(cn3)O H953442 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H953445 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)OS(=O)(=O)O H953450 C1[C@@H]2C[C@@H]2N([C@H]1C#N)C(=O)[C@H]([C@@]34C[C@H]5C[C@@](C3)(C[C@](C5)(C4)O)O)N H953465 C1[C@@H]2[13CH2][C@@H]2N([C@H]1C#N)[13C](=O)[13CH]([C@@]34C[C@H]5C[C@@](C3)(C[C@](C5)(C4)O)O)N H953467 CCCC(C)C1(C(=O)NC(=O)N(C1=O)O)CC=C H953475 c1ccc(cc1)[C@H]2c3ccccc3[C@H](CN2C(=O)O[C@H]4C[N+]5(CCC4CC5)[O-])O H953485 [2H]c1c(c(c(c(c1[2H])[2H])C2c3ccccc3[C@H](CN2C(=O)O[C@H]4C[N+]5(CCC4CC5)[O-])O)[2H])[2H] H953487 CCC(C)(C)C(=O)O[C@H]1CC(=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)C H953500 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C(C)O H953510 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)C(C)(C)C(C)O.[Na+] H953515 CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H](C2=C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O)C H953520 c1ccc(cc1)[C@H]2c3ccccc3[C@H](CN2C(=O)O[C@H]4CN5CCC4CC5)O H953525 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5c([nH]nc5O)C4)C H953530 [2H]C1(C[C@H]2[C@@H]3CC[C@H]4Cc5c(c(n[nH]5)O)C[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)[2H] H953532 CCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O H953535 CC(C)(C)C(/C=C/c1ccc(c(c1)OC)O)O H953540 [2H][13C]([2H])([2H])Oc1cc(ccc1O)/C=C/C(C(C)(C)C)O H953543 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@H]4O)C H953545 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@H]4O)C)C)O H953547 C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@]2(C)O)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C H953550 [2H]C([2H])([2H])[C@@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C)C)O)O H953552 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@@H]4O)C H953555 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@@H]4O)C)C)O H953557 COC(=O)C(CC(=O)O)O H953560 COC(=O)[C@@H](CC(=O)O)O H953565 COC(=O)[C@H](CC(=O)O)O H953570 C1CC(=O)N(C1=O)O H953585 c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)ON4C(=O)CCC4=O)c5ccccc5 H953600 CC([C@H]1CC[C@@H](CC1)C(=O)ON2C(=O)CCC2=O)C H953675 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)ON5C(=O)CCC5=O H953695 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NO H953800 C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+] H954000 CCCCC(C(CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O[Si](C)(C)C(C)(C)C)(F)F H954400 CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)O H954500 CN(C)CCOc1ccc(cc1)/C(=C(\CCCl)/c2ccccc2)/c3ccc(cc3)O H954505 [2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(\CCCl)/c2ccccc2)/c3ccc(cc3)O)C([2H])([2H])[2H] H954507 CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccc(cc2)O)/c3ccccc3 H954510 [2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccc(cc2)O)/c3ccccc3)C([2H])([2H])[2H] H954512 CC(/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3)O H954700 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954705 CC(/C(=C(/c1ccccc1)\c2cccc(c2)OCCN(C)C)/c3ccccc3)O H954710 CN(C)CCOc1ccc(cc1)/C(=C(/CCO)\c2ccccc2)/c3ccccc3 H954715 CN(C)CCOc1cccc(c1)/C(=C(\CCO)/c2ccccc2)/c3ccccc3 H954717 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O)/c3ccccc3 H954720 [2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O)/c3ccccc3 H954722 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954725 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O H954730 [2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccccc3)C([2H])([2H])[2H] H954732 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954735 CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC[N+](C)(C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954740 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O H954745 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954757 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954760 CC/C(=C(\c1ccc(cc1)OCCN(C)C)/c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954765 CC(C)(CO)C#C/C=C/CN(C)Cc1cccc2c1cccc2 H956160 CC(C)(COC(=O)c1ccccc1)C#C/C=C/CN(C)Cc2cccc3c2cccc3 H956170 CC(C)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)C#C/C=C/CN(C)Cc2cccc3c2cccc3 H956175 C[C@@H]1C[C@@H](C2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC([C@@H](/C=C(/C1)\C)CC=C)O)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)O)C)OC)OC H956300 CC1(CC(CC(N1O)(C)C)O)C H956500 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)C)C H956725 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O H956745 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C(C(=O)CC[C@]34C)O)C)O H956747 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O H956750 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@H](C4=CC(=O)CC[C@]34C)O)C)O H956752 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=CC(=O)CC[C@]34C)O H956755 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@@H](C4=CC(=O)CC[C@]34C)O)C)O H956757 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)O)C H956765 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C([C@@H](C3)O)C)(C)C)O H957100 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)CC[C@]5([C@@]3(CCC(=O)C5)C)O H957120 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(O4)O)CC[C@]5([C@@]3(CCC(=O)C5)C)O H957125 c1cc2c(c(c1)O)c3c([nH]2)CCCC3 H957150 C1CC(OC1)O H957750 C1COC[C@H]1O H957755 [2H]C1(C[C@@H](C(O1)([2H])[2H])O)[2H] H957757 c1nc2c(=O)[nH]c(nc2n1[C@H]3CC([C@@H]4[C@]3(COC4)O)O)N H957780 CC(=O)c1ccc(cc1O)OC2CCCCO2 H957800 c1cc2c(c(c1)O)CCCC2=O H957850 c1cc2c(cc1)C(=O)[N@@](C2=O)C3C(=O)NC(=O)[C@H](C3)O H960750 c1cc2c(cc1O)[nH]c(n2)c3cscn3 H961200 c1cc2c(cc1O)[15nH]c(n2)[13c]3[13cH]scn3 H961202 COc1ccc2c(c1)[nH]c(n2)c3cscn3.Cl H961205 COc1ccc2c(c1)[15nH][13c](n2)[13c]3cscn3.Cl H961207 c1cc2c(cc1OS(=O)(=O)O)[nH]c(n2)c3cscn3 H961210 C1CC(CSC1)C(CC(=O)O)(CC(=O)O)O H961300 c1csc2c1c(ncn2)O H961750 CNCC[C@@H](c1cccs1)O H961815 CN(C)CC[C@@H](c1cccs1)O H961825 C1CCC(SCC1)O H962125 CCCc1c2c(c(=S)nc([nH]2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CCO)n(n1)C H963100 CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)n(n1)C H963150 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C([C@@H](C(=O)O)N)O H963600 c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C([C@@H](C(=O)O)N)O H963602 C[C@@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964250 [2H][13C]([2H])([2H])[C@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964252 C[C@@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)OS(=O)(=O)O H964255 C[C@@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964260 [2H][13C]([2H])([2H])[C@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964262 C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O)O H964270 CC(C)(CO)NC[C@@H](COc1c(nsn1)N2CCOCC2)O H965200 CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)N(O)S(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 H965500 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@]2(CC(=C(C(=O)O2)[C@H](CC)c3cccc(c3)N(O)S(=O)(=O)c4ccc(cn4)C(F)(F)F)O)CCC)[2H])[2H] H965502 c1cc(c(c2c1nsn2)NC3=NCC(N3)O)Cl.Cl H966500 CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CO H969850 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)CO H969852 Cc1ccc(cc1O)C(=O)C(C)CN2CCCCC2.C(=C\C(=O)O)\C(=O)O H969880 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(c(c2)O)C)([2H])[2H])([2H])[2H])[2H].C(=C\C(=O)O)\C(=O)O H969882 C[C@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO H969950 C[C@@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO H969955 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(c2)CO H969980 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(c2)CO H969982 Cc1cc(ccc1O)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C H969985 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)c1cnccc1Nc2ccc(c(c2)C)O H969987 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)O H970020 [2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)O H970022 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)[O-])O)O)O.[Na+] H970025 [2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)OCc5ccccc5 H970032 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)O)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O H970045 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O H970050 c1cc(ccc1c2c(nc3c(n2)c(nc(n3)N)N)N)O H971050 [2H]c1c(c(c(c(c1c2c(nc3c(n2)c(nc(n3)N)N)N)[2H])[2H])O)[2H] H971052 c1cc(ccc1c2c(nc3c(n2)c(nc(n3)N)N)N)OS(=O)(=O)[O-].[Na+] H971070 c1(c(nc(nc1OS(=O)(=O)O)N)N)N H971210 c1(c(nc(nc1O)N)N)N.OS(=O)(=O)O H971250 c1([13c]([13c](nc(n1)N)N)[15NH2])O.OS(=O)(=O)O H971252 c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl H971325 [2H]c1c(c(c(c(c1[2H])C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl)[2H])[2H] H971327 Cc1nnc2n1-c3ccc(cc3C(=NC2O)c4ccccc4Cl)Cl H971330 Cc1nnc2n1-c3ccc(cc3C(=NC2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)c5ccccc5Cl)Cl H971335 COC(=O)c1ccc(cc1O)C2(N=N2)C(F)(F)F H971525 c1cc(ncc1C(F)(F)F)O H971570 c1cnc(nc1C(F)(F)F)O H971600 COc1cc(cc(c1OC)OC)Cc2c(nc(nc2O)N)N H971980 [13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])Cc2c(nc(nc2O)N)N H971981 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])Cc2c(nc(nc2O)N)N H971982 CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)O H972025 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOP(=O)([O-])OCC[N+](C)(C)C)C)/C)O)OC)C)C)/C)OC H972100 Cc1cc2c(nc1C)nc(n2C)O H972350 [2H]C([2H])([2H])n1cccc1CC(Cc2cccn2C([2H])([2H])[2H])O H972532 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)COP(=O)(O)OCC[N+](C)(C)C H972550 CC(CN1c2ccccc2CCc3c1ccc(c3)O)CN(C)C H973500 [2H]C([2H])([2H])N(C)CC(C)CN1c2ccccc2CCc3c1ccc(c3)O H973502 Cc1cccc(c1C)C(C)(c2cn(cn2)C(c3ccccc3)(c4ccccc4)c5ccccc5)O H974400 CN1CC(=O)N=C1N.c1cc2c(c(c1)O)c(c[nH]2)CCN.OS(=O)(=O)O H974880 CN1CC(=O)N=C1N.c1cc2c(cc1O)c(c[nH]2)CCN.O.OS(=O)(=O)O H974990 CN1CC(=O)N=C1N.c1cc2c(cc1O)[nH]cc2CCN.OS(=O)(=O)O H975000 c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N H975700 c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N H975710 [2H]c1c(c(c(c2c1[nH]c(c2C[C@@H](C(=O)O)N)[2H])[2H])O)[2H] H975712 c1cc2c(cc1O)c(c[nH]2)CCO H976000 [2H]C([2H])(c1c[nH]c2c1cc(cc2)O)C([2H])([2H])O H976002 c1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c(c[nH]2)CCO H976010 [2H]C([2H])(c1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C([2H])([2H])O H976012 c1cc(c(cc1CCO)O)O H977000 [2H]C([2H])(c1ccc(c(c1)O)O)C([2H])([2H])O H977002 CC(=O)OCCc1ccc(c(c1)O)O H977005 c1cc(c(cc1CCO)OS(=O)(=O)[O-])O.[Na+] H977010 c1cc(c(cc1CCO)O)OS(=O)(=O)O H977015 CC(=O)OCCc1ccc(c(c1)OS(=O)(=O)[O-])O.O.[Na+] H977020 [2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)O H990922 C(=O)(N)NO H991000 [13C](=O)([15NH2])[15NH]O H991002 C(=O)(N)[15NH]O H991010 CCOC(=O)NO H991050 c1ccc(cc1)c2c(c(on2)CO)c3ccc(cc3)S(=O)(=O)N H991500 c1ccc(cc1)c2c([13c](o[15n]2)[13CH2]O)c3ccc(cc3)S(=O)(=O)N H991502 CCCC(C(CC)O)C(=O)O H993000 CCCC(CC(C)O)C(=O)[O-].[Na+] H993005 CCCC(CCCO)C(=O)[O-].[Na+] H993010 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCO)C(=O)[O-].[Na+] H993012 CC(C)[C@@H](C(=O)O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)CCC(C)O H995000 CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)CCC(C)O H995100 COc1cc2c(cc1OCC3CCN(CC3)CO)ncnc2Nc4ccc(cc4F)Br H995200 [2H]C1(CC(CC(N1CO)([2H])[2H])COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br)[2H] H995202 CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)C H995300 [2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC)([2H])[2H])[2H] H995302 c1c2c(cc3c1ncc(n3)O)C4CC2CNC4 H995600 c1c2c(cc3c1ncc(n3)O)C4CC2CN(C4)C(=O)C(F)(F)F H995610 CC[C@@]1(C[N@]2CCc3c4ccccc4[nH]c3[C@](C[C@@H](C2)[C@H]1O)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O H995680 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995822 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C H995825 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C H995830 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C H995835 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C H995840 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995842 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C H995860 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995862 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)O)C H995870 [2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)O)C)(C([2H])([2H])[2H])O H995872 CC(=O)CC(c1cccc(c1)O)c2c(c3ccccc3oc2=O)O H996095 CC(=O)CC(c1ccc(cc1)O)c2c(c3ccccc3oc2=O)O H996100 [2H]c1c(c(c2c(c1[2H])c(c(c(=O)o2)C(CC(=O)C)c3ccc(cc3)O)O)[2H])[2H] H996102 CC(=O)CC(c1ccccc1)c2c(c3cc(ccc3oc2=O)O)O H996120 [2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3cc(ccc3oc2=O)O)O)[2H])[2H] H996122 CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)O)O H996130 [2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3ccc(cc3oc2=O)O)O)[2H])[2H] H996132 CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H996135 CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)O)O H996140 [2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3cccc(c3oc2=O)O)O)[2H])[2H] H996142 CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H996145 CC(=O)C(C(c1ccccc1)c2c(c3ccccc3oc2=O)O)O H996160 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c3ccccc3oc2=O)O)C(C(=O)C)O)[2H])[2H] H996162 CC(=O)C(C(c1ccccc1)c2c(c3ccccc3oc2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H996165 Cc1ccc(c(c1NC2=NCCCS2)C)O H996295 Cc1cc(cc(c1NC2=NCCCS2)C)O H996300 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO H996495 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] H996497 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO H996500 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] H996502 c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCOCC(=O)O H997000 CC(=O)C[C@H]1CCCN1C H997500 [2H]C([2H])([2H])C(=O)C[C@H]1CCCN1C H997502 CO.c1c\2c([nH]c1Br)C(=O)NCC/C2=C/3\C(=O)N=C(N3)N H998000 [2H]C1(/C(=C/2\C(=O)N=C(N2)N)/c3cc([nH]c3C(=O)NC1([2H])[2H])Br)[2H] H998002 c1ccc2c(c1)c\3c([nH]2)C(=O)NCC/C3=C/4\C(=O)NC(=N4)N H998025 c1c([nH]c(n1)N)C2CCNC(=O)c3c2c(c([nH]3)Br)Br H998030 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C H998100 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]([C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O H998102 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C H998105 [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]([C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O H998107 CC(=O)O[C@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)c4ccccc4)([C@@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2[C@H]6N(C7)C)OC)COC)OC H998150 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@@H]4[C@@H](C([C@@H](C(O4)CO)O)O)O)O)O H998200 CC(C)(C)OCl H998350 C=C1C[C@@H]1C[C@@H](C(=O)O)N H998400 COC[C@H]1Cc2cc(c3c(c2[C@H]([C@@H]1COC)c4ccc(c(c4)OC)OC)OCO3)OC H998450 [2H]C([2H])([2H])OC[C@H]1Cc2cc(c3c(c2[C@H]([C@@H]1COC([2H])([2H])[2H])c4ccc(c(c4)OC)OC)OCO3)OC H998452 c1[nH]c2c(n1)[nH]cnc2=O H998500 c1[nH]c2c(n1)[15nH][13cH][15n]c2=O H998502 c1[nH][13c]2c(c(=O)n1)[15nH][13cH]n2 H998503 c1[nH][13c]2[13c](c(=O)n1)[15n]c[nH]2 H998504 CCCCCCC(C(=O)O)Sc1nc(cc(n1)Cl)Nc2ccc(cc2)c3ccccc3 H999750 CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+] I120001 [2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+] I120002 [2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O I120003 CC(C)C(=O)Oc1ccc(cc1OC(=O)C(C)C)CCNC.Cl I123500 c1c(onc1O)C(C(=O)O)N.O I124000 CC(C)c1c(c2ccccn2n1)C(=O)C(C)C I125000 [2H]c1c(c(n2c(c1[2H])c(c(n2)C(C)C)C(=O)C(C)C)[2H])[2H] I125002 CC(C)Cc1ccc(cc1)CC(=O)O I130000 CC(C)Cc1ccc(cc1)C(C)C(=O)O I140000 [2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O I140002 CC(C)C[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(C)C(=O)O I140003 [2H]C([2H])([2H])[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140005 [2H]C([2H])([2H])[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140007 C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140010 [2H]C([2H])([2H])[C@H](c1ccc(cc1)CC(C)C)C(=O)O I140012 [2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C(=O)O)C(=O)O I140017 C[C@H](c1ccc(cc1)CC(C)C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N I140020 C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N I140025 CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O I140030 [2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O I140032 CC(C)Cc1ccc(cc1)C(C)C(=O)N I140035 CC(C)Cc1ccc(cc1)C2(CCC(c3c2cc(cc3)CC(C)C)C(=O)O)C(=O)O I140040 CC(C)Cc1ccc(cc1)C(C)CO I140045 [2H]C([2H])([2H])C(CO)c1ccc(cc1)CC(C)C I140047 CCCCCCCN(CC)CCCC(c1ccc(cc1)NS(=O)(=O)C)O I155400 CCN1CCC[C@H]1CNC(=O)c2c(ccc(c2O)I)OC I163500 CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c3ccc(cc3)OC)O)O)C I163700 c1ccc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6 I163800 Cc1ccc(c2c1CCC2)OC[C@@H]([C@H](C)NC(C)C)O.Cl I163850 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N[C@H](C)[C@H](COc1ccc(c2c1CCC2)C)O.Cl I163852 Cc1ccc(c2c1CCC2)OC[C@@H]([C@H](C)NC(C)C)O.Cl I163855 Cc1cc(c(n1c2cccnc2)C)/C=C\3/C(=O)N(C(=O)S3)c4ccccc4 I163900 [2H]c1c(c(c(c(c1[2H])[2H])N2C(=O)/C(=C/c3cc(n(c3C)c4cccnc4)C)/SC2=O)[2H])[2H] I163902 [2H]C([2H])([2H])Oc1cc(c2c(c1OC([2H])([2H])[2H])OC(C=C2)C3CC3)Cc4cnc(nc4N)N I164002 [C@H]([C@@H]([C@H](C(=O)O)O)O)([C@H](C(=O)O)O)O I164925 [C@H]1([C@H](C(=O)O[C@@H]1C(C(=O)O)O)O)O I165000 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O.Cl I167000 CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO I170050 [2H][13C]([2H])([2H])OC1=C(C(=O)C(=C(C1=O)C)CCCCCCCCCCO)OC I170052 C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O I175000 CC(=O)OC[C@H]([C@@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I175030 CC(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I192500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])O.[Na+].[Na+] I192600 C([C@@H]1[C@H]([C@@H]([C@H](O1)C=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] I192700 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)I I205750 c1c(c(=O)[nH]c(=O)n1[C@@H]2CC([C@@H](O2)CO)O)I I205755 c1c(c(=O)[nH]c(=O)n1[C@H]2CC([C@H](O2)CO)O)I I205760 C([C@@H]1[C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)O)O I225000 [3H]C([C@@H]1[C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)O)O I225003 [C@@H]1([C@@H]([C@@H](OC([C@@H]1O)O)C(=O)[O-])O)O.[Na+] I252000 [C@@H]1([C@@H]([13C@H]([13CH](O[C@H]1[13C](=O)[O-])O)O)O)O.[Na+] I252002 CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 I258000 C1CN(P(=O)(OC1)NCCCl)CCCl I265000 [2H]C1(COP(=O)(N(C1([2H])[2H])CCCl)NCCCl)[2H] I265002 CC(C)[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]3CCC[C@@H](N3C1=O)C(=O)O)SC(=O)C I266500 CC(=O)c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)F I267200 [2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)C I267202 COc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)O I267210 [2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)O I267212 CC(=O)c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)N5CCC(CC5)c6c7ccc(cc7on6)F I267220 CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O I267300 [2H]C([2H])(C/C=C/1\C[C@H]2C[C@H]([C@@H]([C@H]2C1)/C=C/[C@H](C(C)CC#CC)O)O)C([2H])([2H])C(=O)O I267302 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)CN5CCN(CC5)C I267990 [2H]C([2H])([2H])N1CCN(CC1)Cc2cccc(c2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C I267992 Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C I267995 [2H]C([2H])([2H])N1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)C)Nc4nccc(n4)c5cccnc5 I267997 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CC[N+](CC5)(C)[O-] I268000 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)C[N+]5(CCN(CC5)C)[O-] I268005 Cc1ccc(cc1Nc2nccc(n2)c3ccc[n+](c3)[O-])NC(=O)c4ccc(cc4)CN5CCN(CC5)C I268010 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)C[N+]5(CC[N+](CC5)(C)[O-])[O-] I268020 C=CCOC(Cn1ccnc1)c2ccc(cc2Cl)Cl.OS(=O)(=O)O I268500 [2H]C(=C([2H])C([2H])([2H])OC(Cn1ccnc1)c2ccc(cc2Cl)Cl)[2H].OS(=O)(=O)O I268502 c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl I274990 Cc1nccn1CCC(c2ccccc2)(c3ccccc3)C(=O)N I275010 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O.Cl I275040 [2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)C(=O)O.Cl I275042 C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O I275050 [2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)O)C(=O)O I275052 C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)OC(C)(C)C)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3 I275060 [2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3)C(=O)OC(C)(C)C I275062 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)OC(C)(C)C I275070 [2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)C(=O)OC(C)(C)C I275072 C1=NC=NC1C(C(COP(=O)(O)O)O)O I350000 c1cnc[nH]1 I350200 c1c[15n]c[15nH]1 I350202 [2H]c1c(n(c(n1)[2H])[2H])[2H] I350203 CS(=O)(=O)SCc1c[nH]cn1.Cl I350251 c1cc(cnc1)c2cnc[nH]2 I351751 c1c([nH]cn1)C[C@H](C(=O)O)O.O I354990 c1c([nH]cn1)C[C@@H](C(=O)O)O.O I355000 c1c(nc[nH]1)CCC(=O)NN I356200 [2H]C1(C(NC(=S)N1)([2H])[2H])[2H] I367002 c1c[15n](c[15n]1)[13CH2][13C](=O)O I385597 c1cn(cn1)CC(=O)O I385600 [2H]c1c(n(cn1)CC(=O)O)[2H].Cl I385602 c1ccn2ccnc2c1 I387450 c1cn2ccnc2cc1O I387500 COc1ccn2ccnc2c1 I387505 CC1(O[C@@H]2[C@@H](C3CO[C@@H](C2O1)O3)OCC(CO[C@@H]4[C@@H]5CO[C@H](O5)C6C4OC(O6)(C)C)NC(CO[C@H]7[C@@H]8C([C@@H]9OCC7O9)OC(O8)(C)C)CO[C@@H]1C2CO[C@H](O2)C2C1OC(O2)(C)C)C I400000 c1ccc(c(c1)CNCc2ccccc2O)O I400300 C(CNCCCNC(=O)C(C(C(C(CO)O)O)O)O)CNC(=O)C(C(C(C(CO)O)O)O)O I400500 C[N+](C)(C)CCCCCCNCCCCCC[N+](C)(C)C.Br I400600 [2H]C([2H])([2H])[N+](CCCCCCNCCCCCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].Br I400602 c1ccc2c(c1)CCc3ccccc3N2C(=O)Cl I408100 [2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1(c2ccccc2N(c3ccccc3C1([2H])[2H])C(=O)Cl)[2H] I408102 CC1CC(NC(=N)C1)C.CC(=O)O I409000 CC(=N)NCCCC[C@@H](C(=O)O)N.Cl I413000 CC(N)NCCCC[C@@H](C(=O)Nc1[nH]nnn1)N I413030 CC(=N)NCCC[C@@H](C(=O)O)N.Cl I415000 CC1(CCCCC1)COc2ccc(cc2)CC3C(=O)NC(=O)S3 I423750 CC1CCNC(=N)C1.CC(=O)O I425500 C1=CC(=O)C(=CC1=N)C(=O)O I425800 C1CCNC(=N)C1 I435000 c1ccc2c(c1)C=Cc3ccccc3N2 I445000 [2H]C1=C(c2ccccc2Nc3c1cccc3)[2H] I445002 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)Cl I445010 [2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)Cl)[2H] I445012 c1ccc2c(c1)C3C(O3)c4ccccc4N2C(=O)Cl I445015 C1CC(=N)SC1 I450000 C[C@H]([C@@H]1C2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O I465200 [2H]C([2H])(C([2H])([2H])SC1=C(N2C(C1)[C@H](C2=O)[C@@H](C)O)C(=O)O)NC=N.O I465202 CN(C)CCCN1c2ccccc2CCc3c1cccc3.Cl I465980 [2H]c1cc(c2c(c1)CCc3cc(cc(c3N2CCCN(C)C)[2H])[2H])[2H].Cl I465982 [2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1cccc3)C([2H])([2H])[2H] I465983 C[N+](C)(CCCN1c2ccccc2CCc3c1cccc3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O I465990 C[N+](C)(CCCN1c2ccccc2CCc3c1cccc3)[O-].O I466000 [2H]C([2H])([2H])[N+](CCCN1c2ccccc2CCc3c1cccc3)(C([2H])([2H])[2H])[O-].O I466002 CC(C)Cn1cnc2c1c3ccccc3nc2N I475000 c1c([nH]cn1)CC2CCNCC2 I490000 CC(=CCOc1c2c(ccc(=O)o2)cc3c1occ3)C I495000 CCc1cc2c(cc1CC)CC(C2)NC[C@@H](c3ccc(c4c3ccc(=O)[nH]4)O)O I499750 c1cc2c(c(c1)NC3=NCCN3)CCC2 I499800 c1ccc2c(c1)CCC2=O I499900 CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl I500100 [2H]C([2H])([2H])C1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl I500102 CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)NS(=O)(=O)O)Cl I500110 CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cl I500115 c1cc2c(cc1CN)cn[nH]2.Cl I505500 c1cc2c(cc1CO)cn[nH]2 I505600 c1ccc2c(c1)OCC(O2)C3=NCCN3.Cl I506800 [2H]C1(C(N=C(N1)C2COc3ccccc3O2)([2H])[2H])[2H].Cl I506802 c1c2c(cc3c1OCO3)C(=O)/C(=N/O)/C2 I510930 c1ccc-2c(c1)-c3ccc4ccc5cccc6c5c4c3c2c6 I510960 [2H]c1c(c(c-2c(c1[2H])-c3c(c(c4c(c(c5c(c(c(c6c5c4c3c2c6[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] I510962 c1ccc2c(c1)CC(C2)NCC(=O)N.Cl I511000 c1ccc2c(c1)c(c([nH]2)c3c(c4ccccc4[nH]3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] I521250 CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5.OOS(=O)O I525000 [2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])N2CCN([C@@H](C2)C(=O)NC(C)(C)C)C[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)[2H] I525002 CC(=O)N(C)c1cccc(c1)c2ccnc3n2ncc3C(=O)c4cccs4 I527200 [2H]C([2H])([2H])N(c1cccc(c1)c2ccnc3n2ncc3C(=O)c4cccs4)C(=O)C I527202 c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 I527500 CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3c4ccccc4[nH]n3 I532500 [InH3] I533700 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)c3cc4ccc(cc4[nH]3)C(=O)O)N(CC(=O)O)CC(=O)O I545000 c1ccc2c(c1)cc[nH]2 I577320 c1ccc2c(c1)c(c[nH]2)CC(=O)O I577340 c1ccc2c(c1)c(c[nH]2)/C=N/O I577400 c1ccc2c(c1)cc([nH]2)[13CH2][13C]#[15N] I577502 B(c1cccc2c1cc[nH]2)(O)O I577750 c1ccc2c(c1)c(c[nH]2)CCCC(=O)O I577800 [2H]C([2H])(CC(=O)O)C([2H])([2H])c1c[nH]c2c1cccc2 I577802 c1c(c(nc(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)I I697500 c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CI)O)O)N I705000 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(=O)cc(o4)c5ccc(c(c5)O)OC)c(c3I)O)O)O)O)O)O)O I705850 CCNC(=O)[C@@H]1[C@@H](C([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O I706000 CCNC(=O)[C@@H]1[C@H]2C([C@@H](O1)n3cnc4c3nc(nc4N)I)OC(O2)(C)C I706300 [2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3nc(nc4N)I)OC(O2)(C)C I706302 CCCCCCI I706530 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I I706532 c1cc(c(cc1C=O)I)O I707250 c1cc2c(cc1I)c(c[nH]2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O I707425 c1c(nc[nH]1)I I708100 [2H]C([2H])([2H])Oc1ccc(cc1O)C(=O)C I780002 C1C(=O)C(=O)NC(=O)N1 I780030 CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(c(c4)O)OC)O)O)OC I780050 COc1c2ccc(=O)oc2c(c3c1cco3)OC I821950 COc1cc(cc(c1)C(=O)O)C(=O)O I821955 CC[C@H]([C@@H](Cc1cncn1C)CO)C(=O)[O-].[Na+] I821960 [2H]C([2H])([2H])n1cncc1C[C@@H](CO)[C@@H](CC)C(=O)[O-].[Na+] I821962 CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C I874300 [2H]C1(C(SC(=C(C(=O)OC(C)C)C(=O)OC(C)C)S1)([2H])[2H])[2H] I874302 CC(C)c1ccc(cc1)NC(=O)N(C)C I874500 [2H]C([2H])([2H])N(C)C(=O)Nc1ccc(cc1)C(C)C I874502 C/C=C/1\C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O I874700 c1cc2cnccc2c(c1)S(=O)(=O)O I875000 CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)OS(=O)(=O)c2cccc3c2ccnc3)C(=O)N4CCN(CC4)c5ccccc5 I876000 c1cc2cnccc2c(c1)S(=O)(=O)Cl.Cl I878000 c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 I882200 CN[C@@H](Cc1ccc(cc1)OS(=O)(=O)c2cccc3c2ccnc3)C(=O)N4CCN(CC4)c5ccccc5 I887500 c1cc2cnccc2c(c1)S(=O)(=O)N3CCNCC3.Cl I891000 c1ccc2c(c1)c(c[nH]2)CO I578000 c1ccc2c(c1)c(c[nH]2)[13CH]=O I614992 c1cc(cc2c1cc[nH]2)C=O I615000 c1cc2c(cc[nH]2)cc1C=O I615010 c1cc2cc[nH]c2c(c1)C=O I615030 c1cc2c(cc[nH]2)cc1C(=O)N I615500 c1ccc2c(c1)cc([nH]2)C(=O)O I627000 c1ccc2c(c1)cc([nH]2)[13C](=O)O I627002 c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@@H]3[C@@H](C([C@H](C(O3)CO)O)O)O I627020 CNS(=O)(=O)CCc1ccc2c(c1)c(cn2N=O)C3CCN(CC3)C I627150 c1ccc2c(c1)CCN2 I627200 c1ccc2c(c1)CC(=O)N2 I627300 c1ccc2c(c1)c(c[nH]2)CCBr I628000 c1ccc2c(c1)c(c[nH]2)C(C(=O)O)N I630000 COC(=O)C(c1c[nH]c2c1cccc2)N I630010 c1cc2c(cc[nH]2)c(c1)OCC(CO)O I633500 c1ccc2c(c1)c(c[nH]2)SCC#N I636000 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O I641000 [2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)O)C)[2H])[2H])Cl)[2H] I641002 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O I641010 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OCc5ccccc5)O)O)O I641015 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)OC I641025 [2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)OC)C)[2H])[2H])Cl)[2H] I641027 CC(c1ccc(cc1)N2Cc3ccccc3C2=O)C(=O)O I645000 [2H]C([2H])([2H])C(c1ccc(cc1)N2Cc3ccccc3C2=O)C(=O)O I645002 c1ccc(cc1)C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4.Cl I646500 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4)[2H])[2H].Cl I646502 c1ccc2c(c1)c(c[nH]2)OP(=O)([O-])[O-].[Na+].[Na+] I655000 Cc1ccc(cc1)[NH3+].c1ccc2c(c1)c(c[nH]2)OP(=O)([O-])[O-] I655050 c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)[O-].[K+] I655100 [2H]c1c(c(c2c(c1[2H])c(c[nH]2)OS(=O)(=O)[O-])[2H])[2H].[K+] I655102 C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C I657000 Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O)C I657005 c1cc(c(cc1C(=O)N)[N+](=O)[O-])I I657500 c1nc2c(c(n1)O)ncn2[C@H]3[C@H](C([C@H](O3)CO)O)O I661000 c1nc([13c]2[13c](n1)n(c[15n]2)[C@H]3[C@H](C([C@H](O3)CO)O)O)O I661002 c1[nH]c2c(c(=O)n1)n[14cH]n2[C@H]3[C@H](C([C@H](O3)COP(=O)([O-])[O-])O)O.[NH4+].[NH4+] I664800 [Li+].CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)([O-])O[C@@H]6[C@@H]([C@@H]([C@H]([C@@H]([C@H]6O)O)O)O)O I665700 [C@@H]1([C@H](C(C([C@@H](C1O)O)O)O)O)O I665995 [2H][C@]1([C@@]([C@@]([C@]([C@@]([C@]1(O)[2H])(O)[2H])(O)[2H])(O)[2H])(O)[2H])O I665997 CC(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I666000 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I666005 [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I666010 [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O I666015 [C@H]12OP(=O)(OP(=O)(O[C@H]1[C@H]3OP(=O)(OP(=O)(O[C@@H]3[C@@H]4[C@@H]2OP(=O)(OP(=O)(O4)[O-])[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] I666020 [2H][C@@]12OP(=O)(OP(=O)(O[C@@]1([C@]3(OP(=O)(OP(=O)(O[C@@]3([C@@]4([C@@]2(OP(=O)(OP(=O)(O4)[O-])[O-])[2H])[2H])[2H])[O-])[O-])[2H])[2H])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] I666022 c1ccc(cc1)COP(=O)(O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OP(=O)(OCc3ccccc3)OCc4ccccc4)OP(=O)(OCc5ccccc5)OCc6ccccc6)OP(=O)(OCc7ccccc7)OCc8ccccc8)OP(=O)(OCc9ccccc9)OCc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 I666025 [2H][C@]1([C@@]([C@@]([C@]([C@@]([C@]1(OP(=O)(OCc2ccccc2)OCc3ccccc3)[2H])(OP(=O)(OCc4ccccc4)OCc5ccccc5)[2H])(OP(=O)(OCc6ccccc6)OCc7ccccc7)[2H])(OP(=O)(OCc8ccccc8)OCc9ccccc9)[2H])(OP(=O)(OCc1ccccc1)OCc1ccccc1)[2H])OP(=O)(OCc1ccccc1)OCc1ccccc1 I666027 [C@@H]1([C@H](C(C([C@H](C1O)O)O)O)O)O I666030 [C@H]1([C@H](C(C([C@H](C1O)O)O)O)O)O I666040 [C@@H]1([C@H](C(C([C@@H](C1O)O)O)O)O)O I666050 [C@@H]1(C(C([C@H](C(C1O)O)O)O)O)O I666055 CC1=CC(=O)/C(=C\c2ccc(c(c2)O)O)/O1 I666500 CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 I666650 [2H]C([2H])([2H])N1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 I666652 CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)C(CO)CO)I)C(=O)N(C)CC(CO)O)I I666700 c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I I666800 CC(=O)N(CC(CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I I667200 c1cc2c(cc(=O)oc2cc1NC(=O)CI)C(=O)O I675250 CC1(CC(C(N1O)(C)C)NC(=O)CI)C I684000 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CI)N(C)C I685000 CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CI)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 I685125 [2H]C([2H])(CNC(=O)CN(C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])CNC(=O)CI I685130 c1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CI I685500 c1cc2c(cccc2S(=O)(=O)O)c(c1)NCCNC(=O)CI I685600 c1cc2cccc(c2c(c1)NCCNC(=O)CI)S(=O)(=O)O I685605 C(CN(CC(=O)O)C(=O)CI)N(CC(=O)O)CC(=O)O I685640 c1ccc2cc(ccc2c1)CC(C(=O)O)NC(=O)CI I685875 c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)I)N I686000 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc4c3nc(nc4N)I)CO)C I686675 c1cc(c(cc1Cn2cncn2)I)N I686700 CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3nc(nc4N)I)C I686750 c1cc(ccc1N)I I686800 COc1cccc(c1)I I686850 c1ccnc(c1)SSCCNC(=O)c2cc(c(c(c2O)I)N=[N+]=[N-])I I688000 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)I I689502 c1ccc(c(c1)C(=O)O)I I689555 C1CCOC(C1)OCCCCI I693900 C/C(=C\CO)/I I694000 c1cc2c(cc1OCCCCI)NC(=O)CC2 I694200 [2H]C([2H])(C([2H])([2H])C([2H])([2H])I)C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2 I694202 CCCCCCCCCCI I695000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I I695002 CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C=C/C=C/C=C/4\C(c5c6ccccc6ccc5N4CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+] I697000 [2H][13C]([2H])([2H])I I708202 c1ccc(cc1)COCC2COCC(O2)CI I708300 COc1ccc(cc1OC)[C@H](CI)O I708380 c1cc2c(cc1I)OCO2 I708400 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC=C2I)OC I708420 [2H]C1C[C@]2([C@@H](CC=C2I)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OC)C I708422 CN(C)C(=O)Cc1cc(ccc1I)OC I708500 Cc1cc(ccc1I)C(=O)OC I708600 CC(C)(C)C(=O)OCI I708750 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCI I709000 [2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCI I709005 Cc1ccc(cc1I)C(=O)Nc2cc(cc(c2)n3cc(nc3)C)C(F)(F)F I709250 [2H]C([2H])([2H])c1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc(c(c3)I)C)C(F)(F)F I709252 CC1(C=C(C(N1O)(C)C)CI)C I709500 c1cc2c(cccc2I)c(c1)S(=O)(=O)Cl I714800 c1cc2c(cccc2I)c(c1)S(=O)(=O)N3CCCNCC3.Cl I715000 c1cc(c(cc1I)[N+](=O)[O-])C(=O)O I715600 c1ccc(c(c1)O)I I717500 c1cc(ccc1/N=N/C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+].[Na+] I718225 CC(C)(C)OC(=O)Nc1cccc(c1)I I718260 c1cc(ccc1N/N=C(\c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c3ccc(cc3)I)[N+](=O)[O-].[Na+].[Na+] I718750 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)I)C(=O)OC)OC(=O)C I718770 CC(=O)N(CCCI)OCc1ccccc1 I718880 CCCCNC(=O)OCC#CI I718950 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)OCC#CI I718952 c1ccc2c(c1)cccc2CNC/C=C/I I719475 c1cc2c([nH]nc2I)nc1 I719480 c1cnc(cc1I)C#N I719485 c1c(cc(cc1O)I)O I719490 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2cc(cc(c2)I)O)C(=O)OC)OC(=O)C I719510 c1cc2c(cc1I)c(=O)nc[nH]2 I719580 c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I I719800 C1CC(=O)N(C1=O)I I719900 c1cc(ccc1O)Oc2ccc(cc2I)CCN.Cl I720500 [2H]C([2H])(c1ccc(c(c1)I)Oc2ccc(cc2)O)C([2H])([2H])N.Cl I720502 c1cc(ccc1O)Oc2ccc(cc2I)C[C@@H](C(=O)O)N I721500 Cc1ccc(cc1)S(=O)(=O)n2cc(nc2)I I724375 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2I)Cn3cncn3 I724560 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2I)C#N)OC(=O)C)OC(=O)C I724680 C(#N)c1c(c(c(c(c1Cl)I)Cl)C#N)Cl I724750 c1cc(c(cc1C2(N=N2)C(F)(F)F)I)CO I724765 c1ccc(cc1)C(=O)OCc2ccc(cc2I)C3(N=N3)C(F)(F)F I724770 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)I I724850 c1c(c2c(ncnc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N)I I725000 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O I728250 c1cc2c(cc(c(c2nc1)O)I)I I728400 CCCCCCCCCCCI I728800 c1c(c(=O)[nH]c(=O)[nH]1)I I728900 CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I729500 [2H]C([2H])([2H])N(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I729502 CC\1=CCCC(/C1=C/CC(C)O)(C)C I731250 CC1=CCCC(C1/C=C/C(=O)C)(C)C I731275 CC1=C(C(CCC1)(C)C)/C=C/C(=O)C I731280 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=O)/C I734000 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=O)/C)(C)C)[2H] I734002 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=O)/C I734005 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#N)/C I735000 CC1=C(C(CCC1)(C)C)/C=C/C(=C/CO)/C I735250 Cc1cc(oc(=O)c1)/C=C(\C)/C=C/C2=C(CCCC2(C)C)C I735300 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/c2cc(cc(=O)o2)C)/C)(C)C)[2H] I735302 C[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O I735600 [2H]C([2H])([2H])[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O I735602 [2H]C([2H])(C(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)NC(=O)[C@H](C)O)I)C(=O)NC(C([2H])([2H])O)C([2H])([2H])O)I)O I735603 CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)COC)I)C(=O)NCC(CO)O)I I735700 [2H]C([2H])([2H])OCC(=O)Nc1c(c(c(c(c1I)C(=O)N(C)CC(CO)O)I)C(=O)NCC(CO)O)I I735702 C(CO)N(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I737000 CC(=O)N(C)c1c(c(c(c(c1I)C(=O)NCC(=O)Nc2c(c(c(c(c2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+] I737300 CC(=O)N(CC(CO)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I I737500 [2H]C([2H])(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)N(CC(CO)O)C(=O)C)I)C(=O)NCC(CO)O)I I737502 CC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)NCCO)I I738100 [2H]C([2H])(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I I738102 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6CC(CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1.Cl I739300 CC(C)[N@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C.O.[Br-] I740500 [2H]C([2H])([2H])[N@@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C(C)C.[I-] I740502 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C.[Br-] I740503 CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(cc(c2)Cl)Cl I745000 [2H]c1c(c(c(c(c1Cl)[2H])Cl)[2H])N2C(=O)C(N(C2=O)C(=O)NC(C)C)([2H])[2H] I745002 CC(C)c1ncc(n1C)[N+](=O)[O-] I747000 CC(C)c1ncc(n1C)[N+](=O)[O-] I747002 Cc1ccc(cc1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C I747500 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751000 [2H]C([2H])([2H])CCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751002 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751003 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O I751010 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C I751020 CCCC(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C4=NC5(CCCC5)C(=O)N4Cc6ccc(cc6)c7ccccc7c8[nH]nnn8 I751030 CC(C)(C)Nc1nc(nc(n1)SC)NC2CC2 I764100 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)SC)NC2CC2 I764102 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.Cl I767500 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2CCN(CC2)C(=O)Oc3ccc4c(c3)c(c5c(n4)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC)([2H])[2H])([2H])[2H])[2H].Cl I767502 CCc1c2cc(ccc2nc-3c1Cn4c3cc(c(c4=O)CO)[C@@](CC)(C(=O)[O-])O)OC(=O)N5CCC(CC5)N6CCCCC6.[Na+] I767510 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)C(=O)OC5CC)OC(=O)N6CCC(CC6)N7CCCCC7 I767520 CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO I769490 CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO I769500 C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3] I775000 CCCCC(CC)C(=O)[O-].[Fe+3] I775200 C.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] I775400 c1cc(c(cc1Cl)c2nc(nc(n2)N)N)Cl.C(=C\C(=O)O)\C(=O)O I777000 Cc1cc(ccc1O)C2(c3ccccc3NC2=O)c4ccc(c(c4)C)O I777500 c1ccc2c(c1)c(=O)oc(=O)[nH]2 I777600 C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O I777830 [2H]c1c(c(c(c(c1C#N)[2H])[2H])c2csc(n2)[C@H](C)[C@](Cn3cncn3)(c4cc(ccc4F)F)O)[2H] I777832 CC(C)Cc1ccc(cc1)C(=O)C I780065 CC(C)Cc1cccc(c1)C(C)C(=O)O I780080 [2H]C([2H])([2H])C(c1cccc(c1)CC(C)C)C(=O)O I780082 CC(C)COC(=O)c1ccc(cc1)O I780100 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])OC(=O)c1ccc(cc1)O I780102 CC(C)C1OCC(CO1)C(=O)Nc2c(c(c(c(c2I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I I780150 CC(C)Cc1ccc(cc1)C(C)O I780300 CC(C)Cc1ccc(cc1)CCC(=O)O I780335 CCC(=O)c1ccc(cc1)CC(C)C I780390 CC(C)Cc1ccc(cc1)C(=O)C(C)(Br)Br I780400 CC(C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] I780500 [2H]C([2H])([2H])C(C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C)C([2H])([2H])[2H].[Cl-] I780502 CC(C)Cc1c2c(c(ncn2)Cl)[nH]n1 I780530 CC(C)Cc1c(c([nH]n1)C(=O)O)N I780615 CC(C)Cc1c2c(cncn2)[nH]n1 I780620 CC(C)Cc1c(c([nH]n1)C(=O)O)[N+](=O)[O-] I780625 CC(C)Cc1cc([nH]n1)C(=O)O I780630 CCOc1ccc(cc1c2[nH]c(=O)c3c(n2)c(nn3C)CC(C)C)S(=O)(=O)N4CCN(CC4)C I780650 CC(C)C(=O)OCc1ccc(c(c1)[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)OC(=O)C(C)C I780700 CC(C)C(=O)NCC(=O)O I780750 CC(C)C(=C1C(=O)OC(OC1=O)(C)C)O I781000 CC(C)C(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CC[N+]([C@H](C2)[C@@]5(CCC4=O)O)(C)CC6CC6.[I-] I781010 [2H]C([2H])([2H])[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC(=O)C(C)C)CC6CC6.[I-] I781012 CC(C)C(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5(CCC4=O)O)CC6CC6 I781020 CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccccc2 I781040 CC(C)Cn1c2c(c(=O)n(c1=O)C)nc[nH]2 I785000 CC(C)CC1CC(=O)NC1 I786500 CC(C)Cc1ccc(cc1)C=C I787500 CC(C)CNC(=O)N I789000 CC(C)C(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C([C@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C I789150 Cc1cc(no1)C(=O)NNCc2ccccc2 I789300 C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C I789500 [2H]C([2H])([2H])/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C I789502 C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C I790000 COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC I798000 c1cc(c(c(c1)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-] I798250 c1ccnc(c1)N=C=O I806800 CC1(CC(CC(N1O)(C)C)N=C=O)C I807000 CCCCCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)NC I811500 CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)OC)NC I811550 c1cn(c(nc1=O)N)[C@H]2C([C@H]([C@H](O2)CO)O)O I812250 CCN(CC)CC.c1cn(c(nc1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O I812265 c1cnc(nc1O)N I812500 CN[C@H]1CCc2cc(c(c(c2-c3c1cc(c(=O)cc3)OC)OC)OC)OC I814125 c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)C4=CCNCC4 I815000 c1c(c[n+](c(c1CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N.[Cl-] I815050 CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C I815500 C1[C@H]([C@H]([C@@H](CN1)O)O)CO I816005 C1[C@@H]([C@H]([C@@H](CN1)O)O)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O I816010 COc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O I816150 [2H]C([2H])([2H])Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O I816152 COc1ccc(cc1OS(=O)(=O)O)/C=C/C(=O)O I816160 [2H]C([2H])([2H])Oc1ccc(cc1OS(=O)(=O)O)/C=C/C(=O)O I816162 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)O)C)OC)OC I816250 c1cc(c(cc1F)F)C(Cn2cnnc2)(Cn3cncn3)O I816400 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])O)O)C)O)F)C I816600 [2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)CO)O)C)O)F)C I816602 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O I816610 c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2cnc-3c(=O)nc(nc3[nH]2)N I817500 c1cc(oc1)CNc2cc(c(cc2S(=O)(=O)N)C(=O)O)Cl I818500 c1nc2c(=O)[nH]c(nc2n1COCC(CO)O)N I818750 CC1CNCCN1c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F I818850 [2H]C([2H])([2H])Oc1c2c(cc(c1N3CCNCC3C)F)c(=O)c(cn2C4CC4)C(=O)O I818852 c1[nH]c2c(nc(=O)[nH]c2n1)N I819000 c1nc2c(nc(=O)[nH]c2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N I819500 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2[nH]c(=O)nc3N)OC(=O)C)OC(=O)C I819510 C1CNCC=C1C(=O)O.Cl I819560 CC(C)CCCO I819615 [2H]C([2H])([2H])C([2H])(CCCO)C([2H])([2H])[2H] I819617 CC(C)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] I819620 [2H]C([2H])([2H])C([2H])(CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C([2H])([2H])[2H].[Br-] I819622 CC(=CCOc1c2ccc(=O)oc2cc3c1cco3)C I820150 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H]([C@@H](C)CC)NC=O I820200 c1cc(ccc1C#N)C(c2ccc(cc2)C#N)n3cnnc3 I820300 C1C2C(=O)C=CC(O1)O2 I820750 c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O)O I820850 CCOC(=O)N1CCC(=CC1)C2c3ccc(cc3CCc4c2nccc4)Cl I821050 C(C1[C@H]([C@@H](C([C@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O I821250 C(C1[C@H]([C@@H](C([13C@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O I821252 CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)/N=N/Nc5cccc(c5)C(=N)N)N.Br.[Br-] I821265 [2H]C([2H])([2H])C([2H])([2H])[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)/N=N/Nc5cccc(c5)C(=N)N)N.Br.[Br-] I821267 CCC(=O)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C.Cl I821270 [2H]C([2H])([2H])CC(=O)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C.Cl I821272 CCC(=N)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C I821280 CC(CN(C)C)C(C#N)(c1ccccc1)c2ccccc2 I821300 CC(CCC=C(C)C)NC.C(=C\C(=O)O)\C(=O)O I821325 [2H]C([2H])([2H])NC(C)CCC=C(C)C.C(=C\C(=O)O)\C(=O)O I821327 c1cc(cnc1)C2CCC=N2 I821350 c1cnccc1C(=O)NN I821450 [2H]c1c(nc(c(c1C(=O)NN)[2H])[2H])[2H] I821452 c1ccnc(c1)C(=O)NN I821455 c1cc(cnc1)C(=O)NN I821460 c1ccnc(c1)c2cccnc2 I821675 [2H]c1c(c(nc(c1[2H])c2cccnc2)[2H])[2H] I821680 c1cnccc1C(=O)N I821700 CN1CCC(C1)c2cccnc2 I821710 [2H]C([2H])([2H])N1CCC(C1)c2cccnc2 I821712 c1cnccc1C(=O)O I821760 [2H]c1c(nc(c(c1C(=O)O)[2H])[2H])[2H] I821762 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/NC(=O)c5ccncc5)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O I821780 C1CNCCC1C(=O)N I821800 COC(=O)C1CCNCC1 I821810 CC(=C)CCOP(=O)(O)OP(=O)(O)O I821832 [2H]C(=C(CCOP(=O)(O)OP(=O)(O)O)C([2H])([2H])[2H])[2H] I821850 CC(=O)N(CC(COC)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I I821852 CCCCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CC(C)CC)OC(=O)[C@H](CC(C)C)NC=O I821870 CC(C)CCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 I821900 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 I821925 CCCCCOC(=O)c1ccccc1C(=O)OCCC(C)C I821927 [2H]c1c(c(c(c(c1[2H])C(=O)OCCCCC)C(=O)OCCC(C)C)[2H])[2H] I821930 CC1(CC(CC(C1)(C)CN)N)C I821932 [2H]C1(C(CC(CC1(CN)C([2H])([2H])[2H])N)(C)C)[2H] I821935 [2H]C1(CC(CC(C1)(C)C([2H])([2H])N)(C)C)N I821937 C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C I821940 [2H]C1(C(CC(=O)CC1(C#N)C([2H])([2H])[2H])(C)C)[2H] I821947 CC[C@@H]1C(COC1=O)Cc2cncn2C I821970 CC(CN(C)C)O.CC(=O)Nc1ccc(cc1)C(=O)O.c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O I822350 CC(C)c1ccccc1OC(=O)NC I822400 CC(CN(C)C)N1c2ccccc2Sc3c1cccc3.Cl I822500 [2H]C([2H])([2H])N(C)CC(C)N1c2ccccc2Sc3c1cccc3.Cl I822502 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O I822752 CC(=C)n1c2ccccc2[nH]c1=O I822800 CC(C)c1cccc(c1O)C(=C)C I822850 CC(=C)n1c2ccccc2n(c1=O)CCCC(=O)O I822900 CCOC(=O)CCCn1c2ccccc2n(c1=O)C(=C)C I822950 CC(C)OCCOCc1ccc(cc1)O I823300 CC(C)OCCOC(=O)c1ccc(cc1)OCC2CO2 I823350 CC(C)OCCOC(=O)c1ccc(cc1)O I823360 CC(C)OC(=O)CC(=O)C I823725 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)CC(=O)C I823727 CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C I823900 CC(C)OS(=O)(=O)CCCNC(=O)C I823950 CC(C)NN(N=O)[O-] I824000 CC(C)Nc1cccc2c1C(=O)c3ccccc3C2=O I824015 CC(C)OC(=O)/C=C(\C)/N I824030 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(Cn1ccc2c1cccc2OCC(CNC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)O I824042 Cc1ccc(cc1)C(=O)CNC(C)C.Cl I824050 CC(C)OS(=O)(=O)CCC[NH3+].[Cl-] I824150 CC(C)OS(=O)(=O)c1ccccc1 I824350 CCOC(=O)C(C(C)C)(C(=O)OCC)OCc1ccccc1 I824360 CCOC(=O)[C@@](C(C)C)(C(=O)O)OCc1ccccc1.c1cc(ccc1[C@@H]([C@H](CO)N)O)[N+](=O)[O-] I824370 CC(C)N(CCOc1ccccc1OC)CC(COc2cccc3c2c4ccccc4[nH]3)O I824390 [2H]C([2H])([2H])C(C([2H])([2H])[2H])N(CCOc1ccccc1OC)CC(COc2cccc3c2c4ccccc4[nH]3)O I824392 CC([C@H]1CC[C@@H](CC1)C(=O)O)C I824400 CC(C)c1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O I824410 CC(C)C1OCC(CO1)(C(=O)O)C(=O)O I824420 CCOC(=O)C1(COC(OC1)C(C)C)C(=O)OCC I824425 CC(C)[C@@H]1C(=NCC(=N1)OC)OC I824430 CC(C)C1OCC(CO1)C(=O)O I824460 CC(C)n1cc(c2c1cccc2)c3ccc(cc3)F I824525 CC(C)NN.Cl I824550 CC(C)OC(=O)C1=C(c2ccccc2S(=O)(=O)N1)O I824575 CC(C)OC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)O I824600 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc4c3ncnc4N)CO)C I824675 CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3ncnc4N)C I824695 Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CC1(OCc2cc(ccc2O1)[C@H](CNC(C)(C)C)O)C I824710 CC1(O[C@@H]2C(O1)[C@H](OC2=O)[C@H](CO)O)C I824740 CC1(O[C@H]2[C@H](O1)[C@@H]([C@H]([C@H]([C@@H]2OCc3ccccc3)O)O)OCc4ccccc4)C I824755 CC1(O[C@H]2[C@H](O1)[C@H]([C@@H]([C@@H]([C@H]2OCc3ccccc3)O)OC(c4ccccc4)(c5ccccc5)c6ccccc6)OCc7ccccc7)C I824760 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(nc3=O)N)Cl)CO)C I824780 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(=O)[nH]c3=O)Cl)CO)C I824850 Cc1ccc(cc1)S(=O)(=O)OC[C@H]2[C@H]([C@H]3[C@@](O2)(OC(O3)(C)C)COS(=O)(=O)c4ccc(cc4)C)O I824925 CC1(OC[C@@H](O1)[C@H]2CC(=O)c3cc(ccc3O2)F)C I824935 CC1(OC[C@@H](O1)[C@@H]2CC(=O)c3cc(ccc3O2)F)C I824940 CC1(OC[C@H](O1)[C@H]2CC(=O)c3cc(ccc3O2)F)C I824945 CC1(OC[C@H](O1)[C@@H]2CC(=O)c3cc(ccc3O2)F)C I824950 CC1(OC[C@H](O1)/C=C/C(=O)c2cc(ccc2O)F)C I824955 CC1(OC[C@@H](O1)/C=C/C(=O)c2cc(ccc2O)F)C I824960 CC1(O[C@@H]2COC(=O)[C@@H]2O1)C I825000 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@H]3[C@H](C([C@H](O2)SC)O)OC(O3)(C)C)C(C)O I825030 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(nc3=O)N)F)CO)C I825050 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cc(c(=O)[nH]c3=O)F)C I825100 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)[15n]3cc(c(=O)[15nH][13c]3=O)F)C I825102 CC1(O[C@@H]2[C@@H](O1)O[C@@H](C2O)C(CO)O)C I825125 CC1(O[C@@H]2[C@@H]3[C@@H]([C@H](C(=O)O3)O)O[C@@H]2O1)C I825150 CC1(O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O1)O)O)O)O)C I825200 CC(=O)O[C@H]1[C@H]2[C@@H]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C I825205 CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(COS(=O)(=O)C)O)O)C I825275 CCCCCCCC/C=C\CCCCCCCC(=O)OCC1COC(O1)(C)C I825375 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)O)C I825450 CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc(n3)C(=O)OC)CO)C I825500 CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O)O[C@@H]2O1)C I866300 CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)OC(=O)C(C)(C)C)O[C@@H]2O1)C I866320 CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc(n3)C(=O)N)CO)C I866880 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3nc([nH]c4=O)N)C I868300 CC1(OC[C@H](O1)[C@@H]2C([C@H](C(=O)O2)O)O)C I868400 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4O)C I868500 Cc1c2c(c(cn1)C=O)COC(O2)(C)C I868550 CC1=C2[C@@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]6[C@@H](N(C(O6)(C)C)C(=O)OC(C)(C)C)c7ccccc7)O)OC(=O)c8ccccc8)(CO5)OC(=O)C)OC(=O)C I868630 CC1(O[C@@H]2[C@@H](OC(=O)[C@@H]2O1)CO)C I868650 CC1(O[C@@H]2[C@H](O1)C(=O)OC2CO)C I868655 Cc1c2c(c(cn1)CO)COC(O2)(C)C I868660 CC1(O[C@@H]2CN3CCC[C@H]([C@@H]3[C@@H]2O1)O)C I868875 CC1(O[C@H]2[C@H](O[C@@H](C2O1)n3cnc(n3)C(=O)N)CO)C I868885 CC1(O[C@H]([C@H](O1)C(=O)OC)C(=O)OC)C I868910 CC1(O[C@@H](C(O1)CO)CO)C I868935 CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3ccc(=O)[nH]c3=O)C I869000 CC1(O[C@@H]2[C@H](O1)C(O[C@H]2N)CO)C I870050 CC(=O)OC[C@@H]1[C@H]2[C@H](C(O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870060 CC(=O)OC[C@@H]1[C@H]2[C@H]([C@H](O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870065 CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870070 CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3c(ncn3)C(=O)OC)OC(O2)(C)C I870075 CC1(O[C@@H]2[C@H](OC(=O)C2O1)CO)C I870150 CC1(O[C@@H]2C([C@@H](O[C@]2(O1)CO)CO)O)C I870400 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C[C@H]4C[C@H](OC(O4)(C)C)CC[C@H]5[C@H](C=CC6=C[C@@H](C[C@@H]([C@H]56)OC(=O)C(C)(C)CC)C)C)C I871150 CC1(O[C@H]2[C@@H]([C@H](O[C@@H]2O1)CO)O)C I872000 CC(C)c1ccccc1OC(C)C I872100 CC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl I872150 CC(C)NC I872250 Cc1ccc2ccc3cc4cc(ccc4cc3c2c1)C(C)C I872275 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)n3cc(c(=O)[nH]c3=O)F)C(C)C I872290 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)[15n]3cc(c(=O)[15nH][13c]3=O)F)C(C)C I872300 CCCC(C)(CO)COC(=O)NC(C)C I872302 [2H]C([2H])([2H])C(CCC)(CO)COC(=O)NC(C)C I872625 Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C(C)C I872627 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C)C([2H])([2H])[2H] I872647 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)N)C(C)C I872650 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N)C)C([2H])([2H])[2H] I872652 Cc1c2ccc(cc2cc(c1C(C)C(=O)O)C(C)C)OC I872665 CC(C)N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 I872680 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 I872682 CC(C)c1ccccc1O I872700 CC(C)c1cccc(c1)O I872705 CC(C)c1ccc(cc1)O I872710 CC(C)[C@H]1COC(=O)N1 I872820 CCCC(=O)N1[C@H](COC1=O)C(C)C I872835 CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1[C@H](COC1=O)C(C)C I872850 CC(C)OC(=O)c1ccc(cc1)O I872860 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)c1ccc(cc1)O I872862 CCCC(C(C)C)C(=O)O I872870 CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3 I872875 CC(C)[C@H](CN)c1ccccc1 I872880 CC(C)c1ccc(cc1)CC2CNC2 I872885 CC(C)c1ccc(cc1)NN.Cl I872890 CCCc1cccc(c1O)C(C)C I872895 CCCc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3cccc(c3)C(C)C I872900 CC(C)n1c2c(cc(cn2)N)cn1 I872910 CC(C)NC1CCNCC1 I872920 CC(C)OC1CCC(=O)CO1 I872960 CC(C)OC1C=CC(=O)CO1 I872970 CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O I873000 CC(C)c1ccc2c(c1)c(=O)c3ccccc3s2 I873500 [2H]C([2H])([2H])C([2H])(c1ccc2c(c1)c(=O)c3ccccc3s2)C([2H])([2H])[2H] I873502 CCOC(=O)C(C(C)C)(C(=O)OCC)O I873570 Cc1ccc(cc1)S(=O)(=O)OC(C)C I873800 CC(C)NCC(c1ccc(c(c1)O)O)O.Cl I874200 c1nc(n(n1)[C@H]2C([C@H]([C@H](O2)CO)O)O)C(=O)N I895000 CN(C)CCc1cc2cc(ccc2[nH]1)Cn3cncn3 I895500 [2H]C([2H])([2H])N(CCc1cc2cc(ccc2[nH]1)Cn3cncn3)C([2H])([2H])[2H] I895502 c1cc2c(cc1S(=O)(=O)O)C(=O)C(=O)N2.O.[NaH] I900650 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)nn1C I900800 [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(n(n4)C)CCC)OCC I900802 COc1cc(ccc1O)C2C(Oc3cc(ccc3O2)C4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO I901000 c1cc(cc2c1ccnc2)CCO I901500 C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O I901680 [13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O)O I901682 C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-] I901700 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3cccc(c3)OC J211702 CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)Cl J211900 CCCCCn1cc(c2c1cccc2)C(=O)c3c4ccccc4ccc3Cl J211905 CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O K202050 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C K204950 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)N)/C)/C K204955 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C K204960 [2H]C([2H])([2H])C1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C K204962 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)OC)\C)/C K204965 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C K204970 [2H]C([2H])([2H])C1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C K204972 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C K204975 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C K204980 [13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O[N+](=O)[O-])O[N+](=O)[O-] I901702 C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O I902100 [13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O I902102 C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O I902110 [13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O I902112 C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O I902150 [13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O[N+](=O)[O-])O I902152 C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C I902200 [2H]C([2H])([2H])[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=O)C4)C)C)C(=O)O I902202 C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C I902210 [2H]C([2H])([2H])[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=O)C4)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O I902212 CC1=C(C[C@H](CC1)O)/C=C/C2=C3CC[C@@H]([C@]3(CCC2)C)[C@H](C)/C=C/[C@H](C)C(C)C I902450 CC(CN1c2ccccc2Sc3c1nccc3)N(C)C I902750 [2H]C([2H])([2H])N(C(C)CN1c2ccccc2Sc3c1nccc3)C([2H])([2H])[2H] I902752 CC1(CC(C([NH+]1[O-])(C)C)CN=C=S)C I903500 c1cc(ccc1N=C=S)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O I903700 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)N=C=S I904050 c1cc(ccc1N=C=S)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905100 c1cc(ccc1N=C=S)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905120 c1cc(ccc1N=C=S)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905135 c1cc2c(cc(c3c2c4c1cc(c(c4cc3)S(=O)(=O)[O-])N=C=S)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] I905600 Cc1c(n2c(c(c(=O)n2c1=O)C)CSC(=N)N)C.Br I917500 CC(C)CC(=O)NCC(=O)O I917600 c1ccc2c(c1)COc3ccc(cc3C2=O)CC(=O)O I917700 c1cc2c(cc[nH]c2=O)c(c1)O I917950 CC(C)(C)NCC(CO)Oc1c(nsn1)N2CCOCC2 I918000 CC(C)[C@@H](C(=O)OC[C@@H](COCn1cnc2c1nc([nH]c2=O)N)O)N I918050 CC(C)[C@H](C(=O)OC[C@H](COCn1cnc2c1nc([nH]c2=O)N)O)N I918055 c1cnoc1CC#N I918100 c1co[nH]c1=O I918120 CC(COc1ccccc1)NC(C)C(c2ccc(cc2)O)O.Cl I918150 Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](c2nc3cc(ccc3c(=O)n2Cc4ccccc4)Cl)C(C)C I918500 CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc3c2non3)C(=O)OC I925000 [2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc3c2non3)C(=O)OC(C)C)C)C I925002 CC1=C(C(C2=C(N1)COC2=O)c3cccc4c3non4)C(=O)OC(C)C I925010 CN(C)CCOc1ccc(cc1)CNC(=O)c2ccc(c(c2)OC)OC.Cl I931500 [2H]C([2H])([2H])N(CCOc1ccc(cc1)CNC(=O)c2ccc(c(c2)OC)OC)C([2H])([2H])[2H].Cl I931502 C[N+](C)(CCOc1ccc(cc1)CNC(=O)c2ccc(c(c2)OC)OC)[O-] I931510 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl I937500 [2H]C([2H])([2H])C([2H])([2H])C(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl I937502 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OCC5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl I937505 c1cc(ccc1n2cnn(c2=O)C[C@H]3CO[C@](O3)(Cn4cncn4)c5ccc(cc5Cl)Cl)N6CCN(CC6)c7ccc(cc7)OC[C@H]8CO[C@](O8)(Cn9cncn9)c1ccc(cc1Cl)Cl I937515 CN(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC.Cl I940500 [2H]C([2H])([2H])N(CCCN1CCc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC.Cl I940502 CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C I940800 Cc1ccc2c(c1)sc(n2)NC(=O)CSc3nc4c(c(=O)n3c5ccccc5)SCC4 I941600 c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 I941800 c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6 I941805 CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C J210500 CC/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C J210505 CC/C=C\C[C@H]1[C@@H](CCC1=O)CC(=O)O J210520 [2H]C([2H])([2H])C/C=C\C[C@H]1[C@@H](CCC1=O)CC(=O)O J210522 CC/C=C\C[C@H]1C(CCC1=O)[13CH2][13C](=O)O J210523 CC/C=C\C[C@H]1[C@@H](CCC1=O)CC(=O)OC J210530 CC/C=C\C[C@H]1[C@@H](CCC1=O)[13CH2][13C](=O)OC J210532 C[C@@H]1C2[C@@H](CC(CN2)C)OC13CCC4C5CC=C6C[C@H](CCC6(C5C(=O)C4=C3C)C)O J211000 CCCn1c(c(c2c1cccc2)C(=O)c3cccc4c3cccc4)C J211350 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])n1c(c(c2c1cccc2)C(=O)c3cccc4c3cccc4)C J211352 CCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 J211380 CCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC J211390 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC J211392 CCCCCn1cc(c2c1cccc2)C(=O)c3cc(cc4c3cccc4)C J211405 CCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4C J211410 CCCCCn1cc(c2c1cccc2)Cc3cccc4c3cccc4 J211420 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)Cc3cccc4c3cccc4 J211422 CCCc1ccc(c2c1cccc2)C(=O)c3cn(c4c3cccc4)CCC J211425 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)CCC J211427 CCCCCn1cc(c2c1cccc2)C(=O)Cc3ccc(cc3)OC J211440 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3ccc(cc3)OC J211442 CCCCCn1cc(c2c1cccc2)C(=O)Cc3ccccc3Cl J211450 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3ccccc3Cl J211452 CCCCCn1cc(c2c1cccc2)C(=O)Cc3ccccc3OC J211500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3ccccc3OC J211502 CCCCCn1cc(c2c1cccc2)C(=O)Cc3ccccc3C J211505 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3ccccc3C J211507 CCCCCn1cc(c2c1cccc2)C(=O)Cc3cccc(c3)OC J211700 CCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cc(cc4)Cl J211910 COc1ccc2c(c1)CN(CCS2)C(=O)CCC3CCC(CC3)Cc4ccccc4 K000400 C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O K000500 c1ccc(cc1)C[C@@H](CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O.O K090000 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C([2H])(CC(=O)N2C[C@H]3CCCC[C@H]3C2)C(=O)O)[2H])[2H].O K090002 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O K100000 COCOc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)OCOC)O)O K100010 COCOc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)OCOC)O)OCOC K100030 CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O K135000 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O K137500 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.OS(=O)(=O)O K137515 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)N)O)O.Cl K139500 COC1=CC(=O)O[C@H](C1)/C=C/c2ccc3c(c2)OCO3 K145500 CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 K155300 c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)Br)CC(=O)N2 K162500 Cc1c2c(cc(c1C(=O)O)O)C(=O)c3c(c(cc(c3O)O)O)C2=O K163500 CNC1(CCCCC1=O)c2ccccc2Cl.Cl K165300 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)NC)Cl)[2H])[2H].Cl K165302 CN[C@]1(CCCCC1=O)c2ccccc2Cl.Cl K165305 c1ccc2c(c1)c(=O)n(c(=O)[nH]2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F K165450 CC1=CC(=O)N2CC(=O)N(c3ccc(cc3C2(O1)c4ccccc4)Cl)C K165650 [2H][13C]([2H])([2H])N1c2ccc(cc2C3(N(CC1=O)C(=O)C=C(O3)C)c4ccccc4)Cl K165652 C[C@@H]1C2[C@@H](CC(CN2CCNC(=O)CCCCCNC(=O)CCc3ccccc3)C)OC14CCC5C6CC=C7CC(=O)CCC7(C6CC5=C4C)C K171000 CC(C)(C)NCC(=O)c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C K171500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C K171502 CCC(=O)C1(CCN(CC1)C)c2cccc(c2)O K175000 [2H]C([2H])([2H])CC(=O)C1(CCN(CC1)C)c2cccc(c2)O K175002 CC(C)NCC(COc1ccc(cc1)C(=O)OCCOC(C)C)O K175150 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)OCCOC(C)C)O)NC(C)C K175152 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C K175200 [2H]C([2H])([13CH3])C(=O)C(=O)[O-].[Na+] K175302 [2H][13C]([2H])([13CH3])[13C](=O)[13C](=O)[O-].[Na+] K175303 [2H]C([2H])(C)C(=O)C(=O)[O-].[Na+] K175304 CCCC(=O)CC(=O)N[C@H]1CCOC1=O K180750 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(CC[C@@H](C4)O)C)C K185000 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C K185030 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C)C([2H])([2H])[2H] K185032 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C K185050 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] K185052 CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl K186000 [2H]C1(C(N(C(C(N1c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H] K186002 CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl K186010 C[C@H]1C2C(=O)c3ccc(cc3C1(CCN2CC4CC4)C)O K187500 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C)OC(=O)C K187650 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C K187700 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=O)c4c3cc(cc4)OC K187800 [C@H]12[C@H](O1)C3C4C(C2C3=O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl K187900 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C K188480 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C K188500 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C K188550 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)[C@@H]2O)O K188750 [2H]c1cc2c(c(c1O)[2H])C(C[C@@H]3[C@@]2(CC[C@]4([C@H]3CC(=O)[C@@H]4O)C)[2H])([2H])[2H] K188752 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CC[C@]2(C#C)O)O K188770 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CCC2=O)O K188785 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)Nc2ccc(cc2)O)/C)/C K188800 CC(C)n1c2ccccc2c(c1/C=C/C(CC(=O)CC(=O)[O-])O)c3ccc(cc3)F.[Na+] K188900 CC(C)n1c2ccccc2c(c1/C=C/C(=O)CC(CC(=O)O)O)c3ccc(cc3)F K188905 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O K188940 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CCC1=O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C K188980 C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)C(=O)C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)C K188990 C([C@H]([C@H]([C@@H](C(=O)C=O)O)O)O)O K191000 C(CC(=O)O)C(=O)[13C](=O)O K191202 CCCCCCCN(CC)C(=O)CCC(c1ccc(cc1)NS(=O)(=O)C)O K192300 C[C@]1(C[C@H]2C(=O)C[C@]1(C2(C)C)C)O K192500 [2H]C([2H])([2H])[C@]1(C[C@H]2C(=O)C[C@]1(C2(C)C)C)O K192502 CC(C)C(=O)C(=O)[O-].[Na+] K193500 [2H]C(C)(C)C(=O)C(=O)[O-].[Na+] K193502 [2H]C(C)([13CH3])C(=O)C(=O)[O-].[Na+] K193503 [2H][13C]([13CH3])([13CH3])[13C](=O)[13C](=O)[O-].[Na+] K193504 CC(C(=O)C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl K195000 c1ccc(cc1)C(=O)c2ccc3n2CCC3=O K195300 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CCC(=O)CCc2ccccc2)O)O K195350 c1ccc(cc1)CCC(=O)CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O K195360 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)C(=O)C K195400 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)C(=O)CC5)O)O K195500 c1ccc2c(c1)c(=O)c(=O)c3ccccc3n2C(=O)N K197500 C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C K200000 C[C@H](CCCOC(=O)CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C K200050 C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](CC3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C.[Na+] K200400 CC(=O)c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3 K200600 [2H]C([2H])(c1ccc(cn1)C(=O)C)C([2H])([2H])Oc2ccc(cc2)CC3C(=O)NC(=O)S3 K200602 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200800 [2H][13C]([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200802 C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200805 C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200806 [2H][13C]([2H])([2H])[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200807 [2H][13C]([2H])([2H])[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O K200808 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O K200810 [2H][13C]([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O K200812 C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O K200815 C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O K200816 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)OC K200820 [2H]C([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)OC K200821 [2H][13C]([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)OC K200822 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)N K200825 [2H][13C]([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)N K200827 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)OCC=C)O)O)O K200830 [2H][13C]([2H])([2H])C(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OCC=C)O)O)O K200832 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)OCc4ccccc4)O)O)O K200840 CCOC(=O)C(C)c1cccc(c1)C(=O)c2ccccc2 K200845 [2H]C([2H])([2H])/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C(=O)CCC1(C)C)C K204983 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC)/C)/C K204990 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C K205000 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\CO)\C)/C K205005 Cc1c(c(=O)n2c(n1)C(=O)CCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)F K215300 c1ccc(cc1)C(=O)c2ccc3n2CC[C@@H]3C(=O)O K235600 [2H]C1(C(c2ccc(n2C1([2H])[2H])C(=O)c3ccccc3)C(=O)O)[2H] K235602 c1ccc(cc1)C(=O)c2ccc3n2CC[C@@H]3C(=O)O K235605 c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O K235610 c1ccc(cc1)C(=O)c2cc3n(c2)CCC3C(=O)O K235620 c1ccc(cc1)C(=O)c2ccn3c2C(CC3)C(=O)O K235625 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2ccn3c2C(CC3)C(=O)O)[2H])[2H] K235627 c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)NC(CO)(CO)CO K235640 [2H]C1(C(c2ccc(n2C1([2H])[2H])C(=O)c3ccccc3)C(=O)NC(CO)(CO)CO)[2H] K235642 c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O.C(C(CO)(CO)N)O K235650 CCCCCCC(=O)CCCCCCCCCCC(=O)[O-].[Na+] K264901 CCCCCCC1(NC(CO1)(C)C)CCCCCCCCCCC(=O)O K265000 CC1(CC(=O)C(c2c1cc(cc2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C K285000 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4O)C K287000 CC(=O)SCCCCCCCCCCCOCCOCCOCCO K315000 Cc1ccc(cc1)S(=O)(=O)O.Cc1ccsc1C(c2c(ccs2)C)C(=O)CCN3CCC[C@@H](C3)C(=O)O K315050 CN1CCC(=C2c3ccccc3CC(=O)c4c2ccs4)CC1.C(=C/C(=O)O)\C(=O)O K315100 [2H]C([2H])([2H])N1CCC(=C2c3ccccc3CC(=O)c4c2ccs4)CC1.C(=C/C(=O)O)\C(=O)O K315102 C[N+]1(CCC(=C2c3ccccc3CC(=O)c4c2ccs4)CC1)[O-] K315115 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(=O)COc2cccc(c2)C(F)(F)F)O)O K315200 C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CC(=O)C5=CC(=O)C=C[C@@]53C)F)O K315250 CCCC(C(=O)CC)C(=O)[O-].[Na+] K315500 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H](C5=O)[N+]6(CCCCC6)C)C.[Br-] K315800 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2=O)c3ccccc3 K315900 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)C(=O)C(=O)N(C)C K425000 [2H]c1c(c2nc(c(n2c(c1C([2H])([2H])[2H])[2H])C(=O)C(=O)N(C)C)c3ccc(cc3)C)[2H] K425002 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O K450000 CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@@H]4N2C(=O)C(=O)N4)OC(O3)(C)C)C K450100 c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 K570005 c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O K570050 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/[C@@]2([C@H](C=C([C@H]([C@H]2CO)CO)C)/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)C)/C K570500 CN(C(Cc1ccc(cc1)OS(=O)(=O)c2cccc3c2ccnc3)C(=O)N4CCN(CC4)c5ccccc5)S(=O)(=O)c6cccc7c6ccnc7 K650000 CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC K653000 CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C K655000 c1c(occ(c1=O)O)CO K655080 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O K655700 Cc1ccccc1OCc2ccccc2/C(=N\OC)/C(=O)OC K659000 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O K660000 c1ccc(cc1)COc2cccc(c2)Sc3ccc(c(c3)Cl)CCC(CO)(CO)N.Cl K660300 c1ccc(cc1)COc2cccc(c2)Sc3ccc(c(c3)Cl)CCC(CO)(COP(=O)(O)O)N K660305 c1ccc2c(c1)c(n[nH]c2=O)Cc3ccc(c(c3)C(=O)N4CCCNCC4)F K660400 c1ccc2c(c1)c(cc(n2)C(=O)O)O K660500 [2H]c1c(c(c2c(c1[2H])c(c(c(n2)C(=O)O)[2H])O)[2H])[2H] K660502 c1ccc(c(c1)C(=O)CC(C(=O)O)N)N K661000 c1ccc(c(c1)C(=O)C[13CH]([13C](=O)O)[15NH2])N K661002 CCCOc1c(cc(cc1S(=O)(=O)C)[C@@H]2CC[C@H](O2)c3cc(c(c(c3)OC)OC)OC)OC L009500 c1ccc(cc1)c2[nH]c(c(n2)c3ccc(c(c3)O)Cl)c4ccncc4 L010000 COc1ccc(cc1S(=O)(=O)NC(=O)/C=C/c2ccccc2Cc3ccc4ccccc4c3)Br L011500 [2H]c1c(c(c(c(c1OC([2H])([2H])[2H])S(=O)(=O)NC(=O)/C=C/c2ccccc2Cc3ccc4ccccc4c3)[2H])Br)[2H] L011502 C[C@H](CCc1ccccc1)NC[C@@H](c2ccc(c(c2)C(=O)N)O)O L096500 [2H][C@@](c1ccc(c(c1)C(=O)N)O)(C([2H])([2H])N[C@H](C)CCc2ccccc2)O L096502 CC(CCc1ccccc1)NCC(c2ccc(c(c2)C(=O)O)O)O L096510 CC(CCc1ccccc1)NCC(c2ccc(c(c2)C(=O)OC)O)O L096515 CCOC(=O)C1=C(NC(=C(C1c2ccccc2/C=C\C(=O)OC(C)(C)C)C(=O)OCC)C)C L097995 CCOC(=O)C1=C(NC(=C(C1c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C L098000 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OC([2H])([2H])C([2H])([2H])[2H])C)C L098002 CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1 L098500 [2H]C([2H])([2H])OC[C@@H](C(=O)NCc1ccccc1)NC(=O)C L098502 C[C@@H]1[C@@H](C(NC1=O)([C@@H](C(C)C)O)C(=O)SC[C@H](C(=O)O)NC(=O)C)O L101000 C[C@@H]1[C@@H](C(NC1=O)([C@@H](C(C)C)O)C(=O)SC[C@H](C(=O)OCC=C)NC(=O)C)O L101030 CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C L112500 C[C@@H](C(=O)O)O L113500 CCCCCCCCCCCCOC(=O)C(C)O L113510 C[C@H]1C(=O)O[C@H](C(=O)O1)C L113600 [13CH3][C@H]1C(=O)O[C@H](C(=O)O1)[13CH3] L113602 CCOC(=O)C(C)OC(=O)c1cc(ccc1[N+](=O)[O-])Oc2ccc(cc2Cl)C(F)(F)F L113750 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C L113850 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O.O L114000 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C L115000 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)OS(=O)(=O)O)O)O L165225 C(C1[C@@H](C([C@@](O1)(CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)O L165500 c1cc(oc1)CS(=O)CC(=O)NC/C=C\COc2cc(ccn2)CN3CCCCC3 L166500 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])Cc2ccnc(c2)OC/C=C\CNC(=O)CS(=O)Cc3ccco3)([2H])[2H])([2H])[2H])[2H] L168502 c1cc(oc1)CS(=O)CC(=O)NC/C=C/COc2cc(ccn2)CN3CCCCC3 L168505 c1cc(oc1)CS(=O)CC(=O)NC/C=C\COc2cc(ccn2)CN3CCCCC3.c1cc(oc1)CS(=O)(=O)CC(=O)NC/C=C\COc2cc(ccn2)CN3CCCCC3 L168520 CCN(C)C(=O)Oc1ccc2c(c1)[C@@H](CC2)NCC#C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O L168700 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C L170575 c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)C(=O)O L172490 c1c[15n]([13c](=O)[15n]c1N)[C@@H]2CS[C@@H](O2)C(=O)O L172492 c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)CO L172500 c1c[15n]([13c](=O)[15n]c1N)[C@@H]2CS[C@@H](O2)CO L172502 c1cn(c(=O)nc1N)[C@H]2CS[C@H](O2)CO L172505 c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-].[NH4+].[NH4+].[NH4+] L172510 c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)COP(=O)([O-])OP(=O)(O)[O-].[NH4+].[NH4+] L172515 c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)COP(=O)(O)[O-].[NH4+] L172520 c1cn(c(=O)nc1N)[C@H]2CS[C@H](O2)C(=O)O.c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)C(=O)O L172525 c1c[15n]([13c](=O)[15n]c1N)[C@H]2CS[C@H](O2)C(=O)O.c1c[15n]([13c](=O)[15n]c1N)[C@@H]2CS[C@@H](O2)C(=O)O L172527 c1cn(c(=O)nc1N)[C@@H]2C[S@@](=O)[C@@H](O2)CO.c1cn(c(=O)nc1N)[C@@H]2C[S@](=O)[C@@H](O2)CO L172530 c1c[15n]([13c](=O)[15n]c1N)[C@@H]2C[S@@](=O)[C@@H](O2)CO.c1c[15n]([13c](=O)[15n]c1N)[C@@H]2C[S@](=O)[C@@H](O2)CO L172532 c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N L173250 c1cc(c(c(c1)Cl)Cl)[13c]2[13c](n[13c](nn2)N)N L173252 [2H]c1c(c(c(c(c1[2H])Cl)Cl)[13c]2[13c](n[13c](nn2)N)N)[2H] L173253 c1cc(c(c(c1)Cl)Cl)c2c(nc([n+](n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)N L173260 c1cc(c(c(c1)Cl)Cl)[13c]2[13c](n[13c]([n+](n2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)N)N L173262 c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O L173265 c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)N)N.C(CS(=O)(=O)O)O L173270 c1cc(c(c(c1)Cl)Cl)c2c(nc([n+](n2)[O-])N)N L173280 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)n2c(=N)nc(c(n2)c3cccc(c3Cl)Cl)N)C(=O)OC)OC(=O)C L173300 CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](C[C@@H](OC2C)OC3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)O)O)O[C@H]8C[C@H]([C@@H](C(O8)C)O[C@H]9C([C@@H]([C@@H](C(O9)CO)O)O)O)OC(=O)C L173800 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H]([C@@H](CO)O)OC)C(=O)O)NC(=N)N L174000 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H]([C@@H](CO)O)OC)C(=O)O)N[13C](=[15NH])[15NH2] L174002 CCCCCCCC(=O)OC[C@H]([C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)NC(=N)N)NC(=O)C)OC)O L174010 c1ccc(c(c1)C2CS/C(=C(/C#N)\n3ccnc3)/S2)Cl L174500 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCC(F)(F)F L175000 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)S(=O)Cc3c(c(ccn3)OCC(F)(F)F)C)[2H])[2H] L175002 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCC(F)(F)F L175010 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)[S@@H](Cc3c(c(ccn3)OCC(F)(F)F)C)O)[2H])[2H] L175012 Cc1c(ccnc1C[S@@H](c2[nH]c3ccccc3n2)O)OCC(F)(F)F L175015 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)[S@H](Cc3c(c(ccn3)OCC(F)(F)F)C)O)[2H])[2H] L175017 Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCC(F)(F)F L175020 [2H]c1c(c(c(c(c1C#N)[2H])[2H])C(c2ccc(cc2)C#N)n3cncn3)[2H] L330102 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)N L330112 CC(C)C[C@H](CO)N L330120 CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C L330200 [2H]C([2H])([2H])N(c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C([2H])([2H])[2H] L330202 CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C L330300 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)[2H])[2H] L330302 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O L330310 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N L330350 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C\C=C/C=C/C=C/[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)N L330352 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NCC2CNc3c(c(=O)nc([nH]3)N)N2C=O.[Ca+2] L330400 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)OC(=O)C[C@@H](C[C@@H](CC[C@H]4[C@H](C=CC5=C[C@@H](C[C@@H]([C@H]45)OC(=O)[C@@H](C)CC)C)C)O)O)C L472245 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] L472250 [2H]C([2H])([2H])C(CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] L472252 CN1CCN(CC1)C2=Nc3ccccc3Oc4c2cc(cc4)Cl.C(CC(=O)O)C(=O)O L472750 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Oc4c2cc(cc4)Cl)([2H])[2H])[2H].Cl L472752 CC(c1ccc(cc1)CC2CCCC2=O)C(=O)[O-].[Na+] L472900 CC(c1ccc(cc1)C[C@H]2CCC[C@@H]2O)C(=O)O L472915 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)SCc3c(c(ccn3)OCC(F)(F)F)C)[2H])[2H] L175022 Cc1c(ccnc1CS(=O)(=O)c2[nH]c3ccccc3n2)OCC(F)(F)F L175026 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)S(=O)(=O)Cc3c(c(ccn3)OCC(F)(F)F)C)[2H])[2H] L175027 Cc1c(cc[n+](c1CS(=O)(=O)c2[nH]c3ccccc3n2)[O-])OCC(F)(F)F L175030 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)S(=O)(=O)Cc3c(c(cc[n+]3[O-])OCC(F)(F)F)C)[2H])[2H] L175032 Cc1c(cc[n+](c1CS(=O)c2[nH]c3ccccc3n2)[O-])OCC(F)(F)F L175035 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)S(=O)Cc3c(c(cc[n+]3[O-])OCC(F)(F)F)C)[2H])[2H] L175037 Cc1c(cc[n+](c1CSc2[nH]c3ccccc3n2)[O-])OCC(F)(F)F L175045 CC1(CCC2=C(O1)c3ccccc3C(=O)C2=O)C L175300 CC(=O)OCC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)c4cccc(c4OC)OC)Cl L175500 [2H]C1(C(N(C(C(C1([2H])CC(=O)O)([2H])[2H])([2H])[2H])C(=O)C[C@@H]2C(=O)N(c3ccc(cc3[C@H](O2)c4cccc(c4OC)OC)Cl)CC(C)(C)COC(=O)C)([2H])[2H])[2H] L175502 Cc1ccc(cc1)S(=O)(=O)O.CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F L175800 Cc1ccc(cc1)S(=O)(=O)O.CS(=O)(=O)[13CH2][13CH2][15NH]Cc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F L175802 [2H]C([2H])([2H])S(=O)(=O)C([2H])([2H])C([2H])([2H])NCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F.Cc1ccc(cc1)S(=O)(=O)O L175803 CS(=O)(=O)[13CH2][13CH2][15NH]Cc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F L175804 CCN(c1ccccc1)C(=O)c2c(c3c(cccc3Cl)n(c2=O)C)[O-].[Na+] L175900 [2H]c1c(c(c(c(c1[2H])[2H])N(CC)C(=O)c2c(c3c(cccc3Cl)n(c2=O)C)[O-])[2H])[2H].[Na+] L175902 CC1=C2[C@@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)O)OC(=O)c7ccccc7)(CO5)OC(=O)C)OC(=O)C L176000 c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O L176490 c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O L176500 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[C@@H]2c3ccc(cc3CC[C@@H]2c4ccccc4)O)N5CCCC5 L176502 c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O L176510 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[C@@H]2c3ccc(cc3CC[C@@H]2c4ccccc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)N6CCCC6 L176512 c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5=O)O L176515 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[C@@H]2c3ccc(cc3CC[C@@H]2c4ccccc4)O)N5CCCC5=O L176517 c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)OS(=O)(=O)O L176520 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[C@@H]2c3ccc(cc3CC[C@@H]2c4ccccc4)OS(=O)(=O)O)N5CCCC5 L176522 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)O)O)O L177280 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@@H](CCc2ccccc2)O)O)O L177285 c1ccc(cc1)CC[C@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O L177295 CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)O)O)O L177300 CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@@H](CCc2ccccc2)O)O)O L177305 c1ccc(cc1)CC[C@@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O L177310 c1ccc(cc1)CC[C@@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C/CCCC(=O)O)O)O)O L177315 c1ccc(cc1)CC[C@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C/CCCC(=O)O)O)O)O L177320 CC[Si](CC)(CC)O[C@@H]1C[C@@H]([C@@H]([C@H]1CC[C@H](CCc2ccccc2)O[Si](CC)(CC)CC)C/C=C\CCCC(=O)OC(C)C)O[Si](CC)(CC)CC L177390 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C L177500 CC[C@@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)[O-])O)C)O.[Na+] L177800 CN1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)OC)OC L178500 CN1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)OC)OC)OC)OC L178525 CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-] L178620 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)NCCC[N+](C)(C)CC(=O)[O-] L178622 CCCCCCCCCCCC(=O)Cl L178630 CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O L178650 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)N[C@@H](CCC(=O)N)C(=O)O L178652 CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] L178750 CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl L179000 [2H]C([2H])([2H])N(CCC(c1ccccc1)c2ccccc2)CC(C)(C)OC(=O)C3=C(NC(=C(C3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C.Cl L179002 CC1=C([C@H](C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl L179010 [2H]C([2H])([2H])N(CCC(c1ccccc1)c2ccccc2)CC(C)(C)OC(=O)C3=C(NC(=C([C@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C.Cl L179012 CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl L179020 [2H]C([2H])([2H])N(CCC(c1ccccc1)c2ccccc2)CC(C)(C)OC(=O)C3=C(NC(=C([C@@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C.Cl L179022 CCCCCCCCCCCC(=O)OCC(CCl)O L184750 CCCCCCCCCCCC(=O)OC(CO)CCl L184755 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCC)O L184757 CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-] L185000 CCCCCCCCCCCC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3C(C[C@H](O3)CO)O L185500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O L185502 CC(=CCC(CO)C(=C)C)C L195300 c1ccc(c(c1)CN(Cc2cc(ccc2O)O)c3ccc(c(c3)C(=O)O)O)O L215000 c1ccc(c(c1)CN(Cc2ccccc2O)c3ccc(c(c3)C(=O)O)O)O L215250 Cc1c(cno1)C(=O)Nc2ccc(cc2)C(F)(F)F L322750 [2H]c1c(c(c(c(c1C(F)(F)F)[2H])[2H])NC(=O)c2cnoc2C)[2H] L322752 Cc1c(cno1)C(=O)Nc2cccc(c2)C(F)(F)F L322765 c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O L328000 c1cc2c(c(c1)N)CN(C2=O)[13CH]3[13CH2][13CH2][13C](=O)N[13C]3=O L328002 Cc1c(oc(=O)o1)COC(=O)[C@H]2C(S[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](c4ccccc4)N)(C)C.Cl L328100 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)OCc4c(oc(=O)o4)C)N)[2H])[2H].Cl L328102 c1cc(ccc1C(=O)CCCN2CCC(CC2)C(=O)c3ccc(cc3)F)F L328800 [2H]c1c(c(c(c(c1C(=O)CCCN2CCC(CC2)C(=O)c3ccc(cc3)F)[2H])[2H])F)[2H] L328802 C1CCN2C[C@H]([C@@H]([C@H]2C1)O)O L329000 C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O L329800 c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O L329850 [2H]C1(CN(CC(C1([2H])N2CCCNC2=O)([2H])[2H])C(=O)[C@@H](CS(=O)(=O)c3ccc4cc(ccc4c3)Cl)O)[2H] L329852 c1cc(ccc1C(=O)[O-])NC(=O)CCn2cnc3c2nc[nH]c3=O.[K+] L329900 c1cc(ccc1C#N)C(c2ccc(cc2)C#N)n3cncn3 L330100 [2H]C1C(N(c2c([nH]c(nc2=O)N)N1)C=O)([2H])C([2H])([2H])Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2] L330402 CCNC(=O)[C@@H]1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6.CC(=O)O L330600 [2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@H]1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6.CC(=O)O L330602 CC[C@]12C[N@]3CCc4c5ccccc5[nH]c4[C@](C[C@H](C3)[C@H]1O2)(c6cc7c(cc6OC)N([C@@H]8[C@]79CCN1[C@H]9[C@@](C=CC1)([C@H]([C@@]8(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC L330800 c1ccc(cc1)[C@H]2CN3CCSC3=N2 L331100 [2H]c1c(c(c(c(c1[2H])[2H])[C@H]2CN3CCSC3=N2)[2H])[2H].Cl L331102 CC[C@@H](C(=O)N)N1CCCC1=O L331500 [2H]C([2H])([2H])C[C@@H](C(=O)N)N1CCCC1=O L331502 [2H]C1(C(=O)N(C(C1([2H])[2H])([2H])[2H])[C@@H](CC)C(=O)N)[2H] L331503 CC[C@@H](C(=O)O)N1CCCC1=O L331510 CC(C)(C)NC[C@@H](COc1cccc2c1CCCC2=O)O.Cl L335000 CC(C)(C)NC[C@H](COc1cccc2c1CCCC2=O)O.Cl L335010 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O L360000 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])c2c(cc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H] L360002 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O L360010 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])c2c(cc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)F)([2H])[2H])[2H] L360012 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O L360250 C1C2C=CC(=O)[C@H](O1)O2 L375000 Cc1cccc(c1C)[C@@H](C)c2cnc[nH]2 L375700 CN1c2c([nH]c(nc2=O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[CaH2] L375720 CN1c2c([nH]c(nc2=O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O L375730 [2H][13C]([2H])([2H])N1c2c([nH]c(nc2=O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O L375732 C[C@@H](CN1c2ccccc2Sc3c1cc(cc3)OC)CN(C)C.C(=C\C(=O)O)\C(=O)O L375750 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4c3cc(cc4)OC L375850 c1ccc(cc1)C(=O)CN2CC[C@]34CCCC[C@H]3[C@H]2Cc5c4cc(cc5)O L375900 CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N L376000 CN1CC[C@]23CCCC[C@H]2[C@@H]1Cc4c3cc(cc4)O L376500 [2H]C([2H])([2H])N1CC[C@]23CCCC[C@H]2[C@@H]1Cc4c3cc(cc4)O.C(C(C(=O)O)O)(C(=O)O)O L376502 C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NN=C(C#N)C#N L378000 CC1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O)CO)O)O)O L394000 CC1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)OC)CO)O)O)O L394500 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)OC)COCc4ccccc4)OCc5ccccc5)OCc6ccccc6)OCc7ccccc7 L394625 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O L395000 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)OC)NC(=O)C)O)O)O L395500 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C L395600 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+] L397500 CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C L397730 CC1(Cc2c(c(c(n2C1)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c4ccc(cc4)Cl)c5ccccc5)C L397740 CCN(CC)CC(=O)Nc1c(cccc1C)C.O.Cl L397800 [2H]C([2H])([2H])C([2H])([2H])N(CC(=O)Nc1c(cccc1C)C)C([2H])([2H])C([2H])([2H])[2H].Cl L397802 CC[N+](CC)(CC(=O)Nc1c(cccc1C)C)[O-] L397815 [2H]C([2H])([2H])C([2H])([2H])[N+](CC(=O)Nc1c(cccc1C)C)(C([2H])([2H])C([2H])([2H])[2H])[O-] L397817 CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O L461500 [2H]C([2H])([2H])[C@H](CCCC)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)O L461502 CC(=C)[C@@H]1CCC2(C(C1)O2)C L461750 CC#CCn1c2c(nc1N3CCC[C@H](C3)N)n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C L465900 CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O L466000 CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)O.Cl L466200 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)O)CCC L466202 CCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)O.Cl L466225 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)O)CC.Cl L466227 Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2)c3cccc4c3c(n[nH]4)N)F L466450 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 L466500 [2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 L466502 CC(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 L466505 [2H]C([2H])([2H])C(=O)NC[C@@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3 L466507 CC(=O)N(C[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3)C[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)N6CCOCC6 L466520 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O L467500 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O L467650 [13CH3][13CH2]/[13CH]=[13CH]\[13CH2]/[13CH]=[13CH]\[13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O L467652 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)O L467700 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(C([2H])([2H])Cl)O L467702 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CCl L467705 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)O L467707 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)Cl L467790 [2H][C@@](C([2H])([2H])O)(C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)Cl L467792 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)O L467800 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C([2H])([2H])Cl)O L467802 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CCl L467805 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O L467807 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1COC(O1)(C)C L467900 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)O L467950 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O)O L467952 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)O L467955 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO L467960 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC L467980 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)Cl L468010 [2H][C@@](C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)(C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)Cl L468012 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC L468060 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)O L468070 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC L468080 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC L468082 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)Cl L468090 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC L468100 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O L468150 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C L468200 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCl L468400 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCCCC L468402 CN(C(=O)Nc1ccc(c(c1)Cl)Cl)OC L468500 [2H]C([2H])([2H])N(C(=O)Nc1ccc(c(c1)Cl)Cl)OC([2H])([2H])[2H] L468502 C1CSS[C@H]1CCCCC(=O)O L468725 C1CSS[C@H]1CCCCC(=O)O L468730 C1CSSC1CCCCC(=O)O L468750 [2H]C1(CSSC1([2H])C([2H])([2H])CCCC(=O)O)[2H] L468752 CCCCCC[C@@H]1[C@@H](OC1=O)C[C@H](C/C=C\C/C=C\CCCCC)OC(=O)[C@H](CC(C)C)NC=O L468800 CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3 L468850 C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)N L468880 [2H]C([2H])([2H])[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)N L468882 C(CCN)C[C@@H](C(=O)O)N L468895 COC(=O)[C@H](CCCCN)N L468900 C(CCN)C[C@@H](C(=O)O)N.C([C@@H](C(=O)O)O)C(=O)O L468910 c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)O.[NaH] L468980 c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)O L468985 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)O)[2H])[2H].[NaH] L468987 c1ccc(cc1)CC[C@@H](C(=O)O)N2[C@H](C(=O)N3CCCC3C2=O)CCCCN L468990 C1CCC(CC1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O L469000 c1ccc(cc1)CC[C@@H](C(=O)NCCCC[C@@H](C(=O)N2CCC[C@@H]2C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O)N[C@@H](CCCCN)C(=O)N4CCC[C@@H]4C(=O)O L469010 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](CCCCNC(=O)[C@H](CCc2ccccc2)N[C@@H](CCCCN)C(=O)N3CCC[C@@H]3C(=O)O)C(=O)N4CCC[C@@H]4C(=O)O)[2H])[2H] L469012 C[C@]1(CC(C1)c2n3c(c(ncc3)N)c(n2)c4cc5nc(ccc5cc4)c6ccccc6)O L469020 C[C@H](CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)O L469040 CC(CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)O L469050 [2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])CCCCC(C)O L469052 [2H]C([2H])([2H])C([2H])(C([2H])([2H])CCCn1c(=O)c2c(ncn2C)n(c1=O)C)O L469053 CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C L469075 [Li+].[Li+].C(=O)([O-])[O-] L469100 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C L469180 [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H] L469182 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C L469200 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)C)([2H])[2H])O L469202 Cc1ccc(cc1C(=O)Nc2ccc(c(c2)Cl)C(=O)N3Cc4cccn4Cc5c3cccc5)F L469275 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCOC(=O)OCCN5CCN(CC5)S(=O)(=O)c6ccc(c(c6)c7[nH]c8c(nn(c8c(=O)n7)C)CCC)OCC)n(n1)C L469300 C[C@@H](C1=NCCN1)Oc2c(cccc2Cl)Cl L469350 c1nc2c(=O)[nH]c(nc2n1[C@@H]3CC([C@@H]3CO)CO)N L469360 [2H]C([2H])([C@@H]1[C@@H](CC1C([2H])([2H])O)n2cnc3c2nc([nH]c3=O)N)O L469362 CCC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)CCc3ccccc3)C(=O)OC.C(=O)(C(=O)O)O L469370 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)[C@]2(CCN(C[C@H]2C)CCc3ccccc3)C(=O)OC.C(=O)(C(=O)O)O L469372 CN(CCCN1c2ccccc2CCc3c1cccc3)CC(=O)c4ccc(cc4)Cl L469380 [2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1cccc3)CC(=O)c4ccc(cc4)Cl L469382 CC(C1=NCCN1)Oc2c(cccc2Cl)Cl.Cl L469390 [2H]C1(C(N=C(N1)C(C)Oc2c(cccc2Cl)Cl)([2H])[2H])[2H].Cl L469392 C[C@@H](C1=NCCN1)Oc2c(cccc2Cl)Cl L469395 [2H]C([2H])(C([2H])(C([2H])([2H])O)O)N(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C L469400 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O L469405 CCn1cc(c(=O)c2c1c(c(c(c2)F)N3CCNC(C3)C)F)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O L469410 CCn1cc(c(=O)c2c1c(c(c(c2)F)N3CCNC(C3)C)F)C(=O)O.[Cl] L469415 COc1ccc(c(c1OC)OC)CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F L469430 [2HH].[2H]C1(C(N(C(C(N1Cc2ccc(c(c2OC)OC)OC)([2H])[2H])([2H])C)C(c3ccc(cc3)F)c4ccc(cc4)F)([2H])[2H])[2H] L469432 C1CCC(CC1)NC(=O)N(CCCl)N=O L469440 c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl L469445 CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4.Cl L469450 [2H]C([2H])([2H])N(C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4)C([2H])([2H])[2H].Cl L469452 CN(C)C(=O)C(CC[N+]1(CCC(CC1)(c2ccc(cc2)Cl)O)[O-])(c3ccccc3)c4ccccc4 L469460 [2H]C([2H])([2H])N(C(=O)C(CC[N+]1(CCC(CC1)(c2ccc(cc2)Cl)O)[O-])(c3ccccc3)c4ccccc4)C([2H])([2H])[2H] L469462 c1cc(ccc1CC[C@@H]2CC3C(=NC(=NC3=O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O L469465 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C L469480 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3C)C)O)N4CCCNC4=O L469482 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCC(=O)NC4=O)O)C L469485 Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCC(NC4=O)O)O)C L469490 CN1CCN(CC1)/C=C\2/C(=O)N3c4ccc(cc4C(=NCC3=N2)c5ccccc5Cl)[N+](=O)[O-] L469510 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])/C=C\2/C(=O)N3c4ccc(cc4C(=NCC3=N2)c5ccccc5Cl)[N+](=O)[O-])([2H])[2H])[2H] L469512 Cc1c(cc(c(=O)[nH]1)C#N)c2ccc3nccn3c2 L469530 c1ccc(cc1)[C@H](C(=O)N[C@H]2C3CCC(=C(N3C2=O)C(=O)O)Cl)N L469550 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2C3CCC(=C(N3C2=O)C(=O)O)Cl)N)[2H])[2H] L469552 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC1 L469575 [2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1C(=O)OCC)([2H])[2H])[2H] L469577 CCOC(=O)N1CCC2(CC1)C3(O2)c4ccc(cc4CCc5c3nccc5)Cl L469585 [2H]C1(CC2(CC(N1C(=O)OCC)([2H])[2H])C3(O2)c4ccc(cc4CCc5c3[n+](ccc5)[O-])Cl)[2H] L469592 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2[n+](ccc4)[O-])Cl)CC1 L469595 [2H]C1(CC(=C2c3ccc(cc3CCc4c2[n+](ccc4)[O-])Cl)CC(N1C(=O)OCC)([2H])[2H])[2H] L469596 [2H]c1ccc2c(n1)C(=C3CC(N(C(C3)([2H])[2H])C(=O)OCC)([2H])[2H])c4ccc(cc4CC2)Cl L469597 COc1ccc(c(c1OC)OC)CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F L469850 c1ccc(c(c1)C2=[15N][13CH]([13C](=O)Nc3c2cc(cc3)Cl)O)Cl L469852 c1ccc(c(c1)C2=N[C@@H](C(=O)Nc3c2cc(cc3)Cl)O)Cl L469855 c1ccc(c(c1)C2=N[C@H](C(=O)Nc3c2cc(cc3)Cl)O)Cl L469856 c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)Cl L469860 C[C@H]1CNCCc2c1cc(cc2)Cl L469890 CN1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3Cl)Cl L469930 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3Cl)Cl L469932 CN1C(=C(C2=C(S1(=O)=O)C=C(C2)Cl)O)C(=O)Nc3ccccn3 L470000 [2H]c1c(c(nc(c1[2H])NC(=O)C2=C(c3c(cc(s3)Cl)S(=O)(=O)N2C)O)[2H])[2H] L470002 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl L470490 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl L470495 [2H]c1c(c(c(c(c1Cn2c(nc(c2CO)Cl)CCCC)[2H])[2H])c3ccccc3c4n[nH]nn4)[2H].CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C[O-])Cl.[K+] L470500 [2H]C([2H])([2H])CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl L470502 [2H]c1c(c(c(c(c1Cn2c(nc(c2CO)Cl)CCCC)[2H])[2H])c3ccccc3c4n[nH]nn4)[2H] L470503 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C=O)Cl L470505 [2H]C([2H])([2H])CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C=O)Cl L470507 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)Cl L470510 [2H]C([2H])([2H])CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)Cl L470512 [2H]c1c(c(c(c(c1Cn2c(nc(c2C(=O)O)Cl)CCCC)[2H])[2H])c3ccccc3c4n[nH]nn4)[2H] L470513 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)Cl L470515 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(C(CCC)c5nc(c(n5Cc6ccc(cc6)c7ccccc7c8[nH]nnn8)CO)Cl)O)Cl L470520 [2H]c1c(c(c(c(c1Cn2c(nc(c2Cl)C[O-])CCCC)[2H])[2H])c3ccccc3c4n[nH]nn4)[2H].[K+] L470525 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)COC(c5ccccc5)(c6ccccc6)c7ccccc7)Cl L470530 CCCCc1nc(c2n1Cc3ccc(cc3C2)c4ccccc4c5n[nH]nn5)Cl L470540 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)Cn5c(nnn5)c6ccccc6c7ccc(cc7)Cn8c(nc(c8CO)Cl)CCCC)Cl L470600 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)Cn5nc(nn5)c6ccccc6c7ccc(cc7)Cn8c(nc(c8CO)Cl)CCCC)Cl L470605 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)Cn8c(nnn8)c9ccccc9c1ccc(cc1)Cn1c(nc(c1CO)Cl)CCCC)Cl L470610 CCC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O L471250 CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl L471400 [2H]C([2H])([2H])COC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl L471402 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C L472225 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C L472227 C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O L472240 CCCCC(C)(C)C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O L473500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)(F)F L473503 CCN(CC)CCNc1ccc(c2c1c(=O)c3ccccc3s2)C.Cl L473700 [2H]C([2H])(C([2H])([2H])N(CC)CC)Nc1ccc(c2c1c(=O)c3ccccc3s2)C.Cl L473702 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C L473900 Cc1cc2c(cc1C)n(c-3nc(=O)n(c(=O)c3n2)CC(=O)O)C L473910 CCCCN(CCCC)CC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O L474000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] L474002 CCCCN(CCCC)CC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O L474010 c1cc(ccc1/C=C\2/c3cc(ccc3-c4c2cc(cc4C5C(O5)C6(CO6)c7cc(cc\8c7-c9ccc(cc9/C8=C/c1ccc(cc1)Cl)Cl)Cl)Cl)Cl)Cl L474020 c1cc(ccc1/C=C\2/c3cc(ccc3-c4c2cc(cc4C5C6C(O6)(CO5)c7cc(cc\8c7-c9ccc(cc9/C8=C/c1ccc(cc1)Cl)Cl)Cl)Cl)Cl)Cl L474025 CC(=O)N[C@H]1CCc2cc(c(c(c2C3=C1[C@H]4[C@@H]3C=C(C4=O)OC)OC)OC)OC L474300 [13cH]1[13cH]c2c(c(=O)[nH][nH]c2=O)[13c]([13cH]1)N L474452 Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F L474700 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])CC(=O)O)Nc2c(cccc2Cl)F)[2H] L474702 Cc1ccc(c(c1)CC(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)F L474710 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C L474800 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C L474820 CC(=C)C1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C L474850 CCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CC L474870 c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@@H]6[C@H](C5=O)C7CCC6C7.Cl L474920 [2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H](C3=O)C5CCC4C5)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].Cl L474922 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O L475000 Cc1cccc(n1)C L476500 Cc1cccc([15n]1)C L476502 CC(=O)NCCc1c2ccccc2[nH]c1Cc3ccccc3 L482000 C.CC(C)(C)Cn1c2c(ccc(n2)c3c(nc([nH]3)C(C)(C)C)c4ccc(cc4)F)nc1N L486500 [2H]C([2H])([2H])C(c1[nH]c(c(n1)c2ccc(cc2)F)c3ccc4c(n3)n(c(n4)N)CC(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].C L486502 c1cc(ccc1CCC2c3c([nH]c(nc3=O)N)NC2=O)C(=O)N[C@H](CCC(=O)O)C(=O)O L486650 c1cc(ccc1CCC(=O)c2c([nH]c(nc2=O)N)N)C(=O)N[C@H](CCC(=O)O)C(=O)O L486700 CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](c3ccccc3)NC(=O)c4ccc5cc[nH]c5c4 L486750 [2H]C1(C(N(C(C(N1C2CCN(CC2)C)([2H])[2H])([2H])[2H])C(=O)[C@@H](c3ccccc3)NC(=O)c4ccc5cc[nH]c5c4)([2H])[2H])[2H] L486752 c1ccc2c(c1)c(c(s2)C(=O)c3ccc(cc3)O)c4ccc(cc4)O L486900 CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C L487500 [2H]C(/C(=C\C=C\C=C(/C([2H])([2H])[2H])\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)([2H])[2H] L487502 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCNCCCCC(C(=O)O)N)O)N(C)C)O)O)O)O L487800 [2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])C([2H])([2H])NCNC(=O)C1=C([C@H]([C@@H]2C[C@H]3C(=C([C@@]2(C1=O)O)O)C(=O)c4c(cccc4O)[C@@]3(C)O)N(C)C)O L487802 CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N L487990 CN1C[C@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)O L488000 [2H]C([2H])([2H])N1C[C@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)O L488002 CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)NN L488005 CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C L488010 [2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(CC)CC L488012 [2H]C([2H])([2H])C([2H])([2H])N(C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C)C([2H])([2H])C([2H])([2H])[2H] L488013 CC(=O)Oc1ccccc1C(=O)O.C(CCN)CC(C(=O)O)N L488500 Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O.C(CCN)C[C@@H](C(=O)O)N L488530 C(CCNCC(C(=O)O)N)C[C@@H](C(=O)O)N L488650 C(CCNCCCC[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N L488750 C(CCNCCCC[C@@H](C(=O)[O-])N)C[C@@H](C(=O)[O-])N.[Na+].[Na+] L488755 C([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O.[K+] L489950 C([C@@H]1C([C@H](C(=O)O1)O)O)O L490000 C([C@H]1C([C@@H](C(=O)O1)O)O)O L490005 C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O L501000 C1[C@@H]([C@H](C([C@H](O1)O)O)O)O L502000 C1[C@H]([C@@H](C([C@@H](O1)N)O)O)O L503000 CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NC[C@H](CS)N L744832 CC(C)(C)c1cc2nnc(n2nc1OCc3ncnn3C)c4cc(ccc4F)F L838417 CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O M104000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O M104002 c1cc(oc1C(=O)Nc2ccncc2)Oc3cc(cc(c3)Cl)Cl M105000 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC=CC4)C M108000 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C)O M108002 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(CC=CC5)C M108010 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC=CC4)C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O M108012 C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@H](C)[C@H]6[C@H]([C@H]([C@@H]([C@](O6)(CC(=O)[O-])O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@@H]([C@@H](O7)C)OC)OC)(C)O)C.[NH4+] M110000 CC(=O)O.c1cc(ccc1CN)S(=O)(=O)N M110200 C1CO[P@](=O)(N[C@@H]1SCCS(=O)(=O)[O-])N(CCCl)CCCl.[Na+] M110300 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[Cl-] M110400 [2H]c1c(c(c(c(c1[2H])[2H])C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C)[2H])[2H].[Cl-] M110402 CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC M110500 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC M111000 [2H]C([2H])([2H])OP(=S)(OC([2H])([2H])[2H])SC(CC(=O)OCC)C(=O)OCC M111002 COP(=S)(OC)SC(CC(=O)O)C(=O)O M111010 [2H]C([2H])([2H])OP(=S)(OC([2H])([2H])[2H])SC(CC(=O)O)C(=O)O M111012 CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC M111015 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CC(C(=O)O)SP(=S)(OC)OC M111017 CCOC(=O)C(CC(=O)O)SP(=S)(OC)OC M111020 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C(CC(=O)O)SP(=S)(OC)OC M111022 C1=CC(=O)OC1=O M124400 [13CH]1=[13CH][13C](=O)O[13C]1=O M124402 c1cc(=O)[nH][nH]c1=O M124500 C1=CC(=O)NC1=O M124980 C1=CC(=O)N(C1=O)CC(=O)O M124990 C1CC(=O)N(C1=O)OC(=O)CN2C(=O)C=CC2=O M125000 C1=CC(=O)N(C1=O)CC(=O)NN.C(=O)(C(F)(F)F)O M125020 c1ccc2c(c1)c(c3ccccc3n2)N4C(=O)C=CC4=O M125150 c1cc(cc(c1)N2C(=O)C=CC2=O)C(=O)ON3C(=O)CCC3=O M132700 c1ccc(cc1)C(=O)c2ccc(cc2)N3C(=O)C=CC3=O M133000 C[N+](C)(C)Cc1ccc(cc1)N2C(=O)C=CC2=O.[I-] M135000 C1=CC(=O)N(C1=O)CCCC(=O)O M135960 C1=CC(=O)N(C1=O)CCCC(=O)NN.C(=O)(C(F)(F)F)O M135980 C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O M136000 C1=CC(=O)N(C1=O)CCCCCC(=O)NN.C(=O)(C(F)(F)F)O M136800 C1C(C(=O)N(C1=O)OC(=O)CCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+] M137000 C1=CC(=O)N(C1=O)CCCCCC(=O)O M137950 C1=CC(=O)N(C1=O)CCNC(=O)CCCCCN.C(=O)(C(F)(F)F)O M138400 CC(C)(C)OC(=O)NCCCCCC(=O)NCCN1C(=O)C=CC1=O M138415 C1=CC(=O)N(C1=O)CCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O M138460 C1=CC(=O)N(C1=O)CCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O M138480 C1=CC(=O)N(C1=O)CCCCCC=O M138550 C1=CC(=O)N(C1=O)CCCCCCO M138560 C1=CC(=O)N(C1=O)CO M138675 CC(C)(C)OC(=O)NNC(=O)C1CCC(CC1)CN2C(=O)C=CC2=O M138970 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)NN.C(=O)(C(F)(F)F)O M139000 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O M139030 CC(C)(C)OC(=O)NNC(=O)CCN1C(=O)C=CC1=O M140170 C1=CC(=O)N(C1=O)CCC(=O)O M140750 C1=CC(=O)N(C1=O)CCC(=O)NN.C(=O)(C(F)(F)F)O M140800 C1CC(=O)N(C1=O)OC(=O)CCN2C(=O)C=CC2=O M141000 CC(C)(C)OC(=O)NNC(=O)CCCCCCCCCCN1C(=O)C=CC1=O M151275 C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O M151350 C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)NN M151400 C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+] M151500 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@H](C(=O)O)NC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2 M157500 C(C(=O)N)C(=O)N M158000 [13CH2]([13C](=O)N)[13C](=O)N M158002 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M158500 C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)O)O M159000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M159015 C([C@H](C(=O)O)O)C(=O)O M159500 C([C@@H](C(=O)O)O)C(=O)O M159505 C(C(C(=O)O)O)C(=O)O M159510 [13CH2]([13CH]([13C](=O)O)O)[13C](=O)O M159512 C1CCC(CC1)NC2CCCCC2.C(C1[C@H]([C@@H](C([C@H](O1)O[C@@H]([C@@H](C(C(=O)O)O)O)C(CO)O)O)O)O)O M159700 [2H]C([2H])([2H])Oc1c(ccc2c1C(=O)OC2)OC M202902 Cc1cc(ccc1OC(C)C(=O)O)Cl M203050 [2H]c1c(c(c(c(c1OC(C)C(=O)O)C)[2H])Cl)[2H] M203052 [2H]c1c(c(c(c(c1OC(C)C(=O)O)C([2H])([2H])[2H])[2H])Cl)[2H] M203053 COC(=O)[C@H](CS)N.Cl M203100 CN1CCN=C(c2c1ccc(c2)Cl)c3ccccc3.Cl M203150 [2H][13C]([2H])([2H])N1CCN=C(c2c1ccc(c2)Cl)c3ccccc3.Cl M203152 Cc1cccc(c1C)C(C)c2cnc[nH]2.Cl M203250 [2H][13C]([2H])([2H])C(c1cccc(c1C)C)c2cnc[nH]2.Cl M203252 [2H]C([2H])([2H])C(c1cccc(c1C)C)c2cnc[nH]2.Cl M203253 CN(C)CCOC(c1ccccc1)c2ccc(cc2)OC.Cl M203400 C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@H](OC3CO)O[C@H]4[C@@H](C([C@H](OC4CO)O[C@H]5[C@@H](C([C@H](OC5CO)O[C@H]6[C@@H](C([C@H](OC6CO)O[C@H]7[C@@H](C([C@@H](OC7CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O M160050 C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@H](OC3CO)O[C@H]4[C@@H](C([C@H](OC4CO)O[C@H]5[C@@H](C([C@H](OC5CO)O[C@H]6[C@@H](C([C@@H](OC6CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O M160100 C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@H](OC3CO)O[C@H]4[C@@H](C([C@H](OC4CO)O[C@H]5[C@@H](C([C@H](OC5CO)O[C@H]6[C@@H](C([C@H](OC6CO)O[C@H]7[C@@H](C([C@H](OC7CO)OC8C(OC(C(C8O)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O M160150 C(C1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O.O M160650 Cc1c(c(=O)ccn1CCCC[C@@H](C(=O)O)N)O M161500 C(CNC(=S)[S-])NC1=S[Mn+2][SH-]1.C(CNC(=S)[S-])NC1=S[Zn+2][SH-]1 M162200 c1ccc(cc1)[C@H](C(=O)O)O M162530 c1ccc(cc1)[C@@H](C(=O)O)O M162535 C(CNC(=S)[S-])NC1=S[Mn+2][SH-]1 M163500 CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC M164000 [2H]C([2H])(C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)C)N3CCN(CC3)C(c4ccccc4)c5ccccc5 M164002 CC1=C([C@H](C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC M164005 [2H]C([2H])(C([2H])([2H])OC(=O)C1=C(NC(=C([C@H]1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)C)N3CCN(CC3)C(c4ccccc4)c5ccccc5 M164007 CC1=C([C@@H](C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC M164010 [2H]C([2H])(C([2H])([2H])OC(=O)C1=C(NC(=C([C@@H]1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)C)N3CCN(CC3)C(c4ccccc4)c5ccccc5 M164012 CC(=CCc1c(cc2c(c1O)c(=O)c3c(o2)cc(c(c3CC=C(C)C)OC)O)O)C M164500 [2H]C([2H])([2H])Oc1c(cc2c(c1CC=C(C)C)c(=O)c3c(o2)cc(c(c3O)CC=C(C)C)O)O M164502 C([C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O M165000 [2H][C@]([C@]([2H])(C([2H])(C([2H])(C([2H])([2H])O)O)O)O)(C([2H])([2H])O)O M165002 C(C1[C@H]([C@H](C([C@](O1)(CO)O)O)O)O)O M165100 [13CH2]([13CH]1[13C@H]([13C@H]([13CH]([13C@](O1)([13CH2]O)O)O)O)O)O M165102 C([C@@H]1[C@H]([C@@H]([C@@H](C(N1)S(=O)O)O)O)O)O M165150 C(C1[C@H]([C@@H](C(C(=O)N1)O)O)O)O M166000 C(C([C@H]1C([C@H](C(=O)O1)O)O)O)O M166030 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O M166250 C(C1[C@H]([C@@H](C([C@@H](O1)O)O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O)O M166330 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C(O[C@H](C2O)O)CO)O)O)O)O)O M166335 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O[C@H]2[C@H](C([C@H](C(O2)CO)O)O)O)O)O M166340 C(C1[C@H](C([C@H]([C@H](O1)O[C@@H]2C(O[C@H]([C@@H](C2O)O)O)CO)O)O)O)O M166345 C(C1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O M166346 C(C1[C@H]([C@@H](C([C@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O M166350 C(C1[C@H]([C@@H](C([C@@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O M166355 CS[C@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N M166500 CS[C@H]1[C@@H]2[C@H]([C@@H]3[C@H]1OC4(O3)CCCCC4)OC(=O)N2 M166505 CS(=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N M166510 C(C1[C@H]([C@@H](C([C@@H](O1)O)N)O)O)O.Cl M167000 [13CH2]([13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)N)O)O)O.Cl M167002 C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O M168000 C([C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O)O M169000 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+] M185000 CCC(C)(C)NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O.Cl M187000 [2H]C([2H])([2H])C(CC)(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O.Cl M187002 CNCCCC12CCC(c3c1cccc3)c4c2cccc4 M188000 [2H]C([2H])([2H])NC([2H])([2H])CCC12CCC(c3c1cccc3)c4c2cccc4.Cl M188002 Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C(C)C M193000 [2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H] M193002 CN1CCN(CC1)c2c(cc3c4c2OCN(n4cc(c3=O)C(=O)O)C)F M197000 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])c2c(cc3c4c2OCN(n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H] M197002 C1CC(CC2[C@@H]1[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)[C@H]4C[C@@]5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl M197200 CC(C)(C)c1ccc(c(c1)CN[C@@H]2[C@@H](N3CCC2CC3)C(c4ccccc4)c5ccccc5)OC M197300 [2H]C([2H])([2H])Oc1ccc(cc1CN[C@@H]2[C@@H](N3CCC2CC3)C(c4ccccc4)c5ccccc5)C(C)(C)C M197302 Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C M197500 COc1cc(ccc1O)C[C@@H]2COC(=O)[C@H]2Cc3ccc(c(c3)OC)O M197850 COc1cc(ccc1O)C[C@@H]2[13CH2]O[13C](=O)[13C@H]2Cc3ccc(c(c3)OC)O M197852 [2H]c1c(c(c(c(c1C[C@@H]2COC(=O)[C@H]2Cc3c(c(c(c(c3[2H])OC)O)[2H])[2H])[2H])OC)O)[2H] M197853 COc1cc(ccc1OCc2ccccc2)C[C@@H]3COC(=O)[C@H]3Cc4ccc(c(c4)OC)OCc5ccccc5 M197855 c1ccc2c(c1)C3=NCCN3C2(c4ccc(cc4)Cl)O M198500 [2H]C1(C(N2C(=N1)c3ccccc3C2(c4ccc(cc4)Cl)O)([2H])[2H])[2H] M198502 Cn1cc(cc1/C=C/C(=O)NO)/C=C/C(=O)c2cccc(c2)F M199250 CC1(C(=O)N(C(=S)N1c2ccc(c(c2)F)C(=O)NC)c3ccc(c(c3)C#N)C(F)(F)F)C M199800 [2H]C([2H])([2H])NC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(c(c3)C#N)C(F)(F)F M199802 COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3 M200500 [2H]C([2H])([2H])OC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3 M200502 CCOC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3 M200510 CCN(CCCCOC(=O)c1ccc(c(c1)OC)OC)C(C)Cc2ccc(cc2)OC.Cl M202490 [2H]C([2H])([2H])Oc1ccc(cc1OC([2H])([2H])[2H])C(=O)OCCCCN(CC)C(C)Cc2ccc(cc2)OC.Cl M202492 CCN(CCCC(=O)O)C(C)Cc1ccc(cc1)OC M202500 CCN(CCCCO)C(C)Cc1ccc(cc1)OC M202525 CCC(C)C(C)C1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl M202550 C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC.Cl M202590 C[C@@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC.Cl M202595 C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC.Cl M202600 [2H]C([2H])([2H])N[C@@]1([C@H]2CC[C@H](C2)C1(C)C)C.Cl M202602 Cc1cccc(c1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl.O M202700 [2H]C1(C(N(C(C(N1Cc2cccc(c2)C)([2H])[2H])([2H])[2H])C(c3ccccc3)c4ccc(cc4)Cl)([2H])[2H])[2H] M202702 Cc1cccc(c1)C[N+]2(CC[N+](CC2)(C(c3ccccc3)c4ccc(cc4)Cl)[O-])[O-] M202705 [2H]C1(C([N+](C(C([N+]1(Cc2cccc(c2)C)[O-])([2H])[2H])([2H])[2H])(C(c3ccccc3)c4ccc(cc4)Cl)[O-])([2H])[2H])[2H] M202707 Cc1cccc(c1)C[N+]2(CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl)[O-] M202710 [2H]C1(C([N+](C(C(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])(Cc4cccc(c4)C)[O-])([2H])[2H])[2H] M202712 Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl M202750 [2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2c(ccc(c2Cl)C)Cl)[2H])[2H] M202752 CN(C)CCOC(=O)COc1ccc(cc1)Cl.Cl M202770 Cc1cc2c(cc1C)n(cn2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C[Co+] M202800 COc1ccc2c(c1OC)C(=O)OC2 M202900 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccc(cc2)OC)OCCN(C)C)[2H])[2H].Cl M203402 C(P(=O)(O)O)P(=O)(O)O M203500 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C M203550 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)[15n]3ccc([15n][13c]3=O)N)C(C)C M219022 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@H](CS2)O)C(C)C M219050 C[N+]1(CCCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)C M223750 CC1([C@@H]([C@H]1C(=O)OCc2c(c(c(c(c2F)F)COC)F)F)C=C(Cl)Cl)C M223800 CCOC(=O)C1(CCN(CC1)C)c2ccccc2.Cl M223900 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2)C)C(=O)OCC)[2H])[2H].Cl M223902 Cc1ccc(cc1)C(=O)C(C)NC.Cl M224200 [2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)C.Cl M224202 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)C)C)C)O M226012 CC(=C)C#N M226015 CC(=C)C#[15N] M226017 CC(=O)/N=c/1\n(nc(s1)S(=O)(=O)N)C M226020 [2H]C([2H])([2H])n1/c(=N\C(=O)C)/sc(n1)S(=O)(=O)N M226022 [2H]C([2H])([2H])C(=O)/N=c/1\n(nc(s1)S(=O)(=O)N)C([2H])([2H])[2H] M226023 c1ccc(cc1)C(=O)NCC(=O)O.C1N2CN3CN1CN(C2)C3 M226025 CC(=C)[13CH]=O M258807 CS(=O)(=O)O.c1cc(cc(c1)N=C=S)C2(CCCCC2)N3CCCCC3 M258810 [2H]C([2H])([2H])N(C(=N)NC(=N)N)C([2H])([2H])[2H].Cl M258812 CN(C)C(=N)NC(=N)N.Cl M258815 CS(=O)(=O)CC(=O)c1c[nH]c2c1cccc2 M258817 CS(=O)(=O)OCCOCCOCCOCCO M258820 CS(=O)(=O)c1cccc(c1)[C@@H]2CCCNC2.C(C(C(=O)O)O)(C(=O)O)O M258825 CS(=O)(=O)c1cccc(c1)[C@H]2CCCNC2.C(C(C(=O)O)O)(C(=O)O)O M258826 CS(=O)(=O)c1cccc(c1)c2cccnc2.Cl M258830 CS(=O)(=O)SCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O M258835 CN(C)CCNC(=O)OCCSS(=O)(=O)C.Cl M258850 CS(=O)(=O)SCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O M258960 [2H]C([2H])([2H])[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C M203552 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C)[C@@]5(C1=CC(=O)CC5)C M203555 [2H]C([2H])([2H])[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C)[C@@]5(C1=CC(=O)CC5)C M203557 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M203560 [2H]C([2H])([2H])[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C([2H])([2H])[2H])C)[C@@]4(C1=CC(=O)CC4)C M203562 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)O M203565 C[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M203570 [2H]C([2H])([2H])[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M203572 Cc1cccc(c1C)Nc2ccccc2C(=O)O M205050 [2H]C([2H])([2H])c1cccc(c1C)Nc2ccccc2C(=O)O M205052 Cc1cccc(c1C)Nc2ccccc2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O M205060 [2H]C([2H])([2H])c1cccc(c1C)Nc2ccccc2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O M205062 CCC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)CCc3ccccc3.Cl M205505 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)CCc3ccccc3.Cl M205507 c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O.Cl M207050 [2H][C@@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@H](c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F)O.Cl M207052 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C M208040 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M208050 [2H]C([2H])([2H])C1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M208052 c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N M208450 c1(nc(nc(n1)N)N)N M208700 c1(nc(nc(n1)[15NH2])[15NH2])[15NH2] M208703 [13c]1(n[13c](n[13c](n1)[15NH2])[15NH2])[15NH2] M208704 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC M215000 [2H]C([2H])(c1c[nH]c2c1cc(cc2)OC)C([2H])([2H])NC(=O)C M215002 CN(C)c1ccc2c(c1)[o+]c3ccc4ccccc4c3n2.[Cl-].[Cl-].[Cl-].[Zn+2] M215120 CC1(OC(=O)CC(=O)O1)C M215250 CC1(OC(=O)[13CH2]C(=O)O1)C M215252 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C M215340 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C M215350 [2H]C([2H])([2H])C(=O)O[C@@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)C)C)C(=O)C M215352 CC1(c2ccccc2C(=CCCN(C)C)c3c1cccc3)C.Cl M215500 [2H]C([2H])([2H])C1(c2ccccc2C(=CCCN(C)C)c3c1cccc3)C([2H])([2H])[2H].Cl M215502 Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O M216100 [2H]C([2H])([2H])N1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ncc(s3)C M216102 CC1CCN(CC1)CCCC(=O)c2ccc(cc2)F M216800 [2H]c1c(c(c(c(c1C(=O)CCCN2CCC(CC2)C)[2H])[2H])F)[2H] M216802 c1cc(ccc1C[C@@H](C(=O)O)N)N(CCCl)CCCl M216900 [2H]C([2H])(C([2H])([2H])Cl)N(c1ccc(cc1)C[C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])Cl.Cl M216902 c1cc(ccc1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-] M216920 [2H]C([2H])(C([2H])([2H])Cl)[N+](c1ccc(cc1)C[C@@H](C(=O)O)N)(C([2H])([2H])C([2H])([2H])Cl)[O-] M216922 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)N)C.Cl M218000 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N)C([2H])([2H])[2H].Cl M218002 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N)C.Cl M218003 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C M218005 [2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C([2H])([2H])[2H] M218007 CC12CC3CC(C1)(CC(C3)(C2)N[C@H]4C([C@H]([C@@H](C(O4)CO)O[C@H]5C([C@H]([C@H](C(O5)CO)O)O)O)O)O)C M218010 C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)NCC(=O)O)C M218015 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218585 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218590 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H] M218592 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218595 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H] M218597 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218600 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H] M218602 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218605 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218610 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218615 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218620 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218625 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C M218630 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC12C(=O)c3ccccc3C(=O)C1(O2)C)/C)/C)/C)C M218650 [2H]c1c(c(c2c(c1[2H])C(=O)C3(C(C2=O)(O3)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H] M218652 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC12C(=O)c3ccccc3C(=O)C1(O2)C)/C)/C)/C)/C)/C)/C)C M218670 [2H]c1c(c(c2c(c1[2H])C(=O)C3(C(C2=O)(O3)C([2H])([2H])[2H])C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)[2H])[2H] M218672 CCNCCNc1cc2c(cc1F)c(=O)c(cn2C3CC3)C(=O)O M218750 C[C@]1(CC[C@H](C=C1)C(C)(C)O)O M218870 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C M218875 C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C M218880 C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C M218885 C[C@H]1CC[C@@H]([C@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C M218890 [2H]C1(C(CCC(C1([2H])O)([2H])C(C)C)C)[2H] M218902 [2H]C1(C(CCC(C1([2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)([2H])C(C)C)C)[2H] M218907 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@H](CS2)OC(=O)C)C(C)C M219010 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)OC(=O)C)C(C)C M219011 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)n3ccc(nc3=O)N)C(C)C M219020 COc1ccccc1OCC2CNC(=O)O2 M224900 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCC4)OC)CC[C@@H]5[C@@]3(C[C@@H]6[C@H](C5)S6)C M224920 CC[C@@H]1CN(CC[C@@]1(c2ccccc2)OC(=O)CC)C.Cl M224950 [2H]c1c(c(c(c(c1[2H])[2H])[C@]2(CCN(C[C@H]2CC)C)OC(=O)CC)[2H])[2H].Cl M224952 CC[C@@H]1CN(CC[C@@]1(c2ccccc2)OC(=O)CC)C.Cl M224955 [2H]c1c(c(c(c(c1[2H])[2H])[C@]2(CCN(C[C@H]2CC)C)OC(=O)CC)[2H])[2H].Cl M224957 CC[C@]1(C(=O)N(C(=O)N1)C)c2ccccc2 M224990 CC[C@@]1(C(=O)N(C(=O)N1)C)c2ccccc2 M225000 [2H]C([2H])([2H])N1C(=O)C(NC1=O)(CC)c2ccccc2 M225002 [2H]c1c(c(c(c(c1[2H])[2H])C2(C(=O)N(C(=O)N2)C)CC)[2H])[2H] M225007 CCC1(C(=O)NC(=O)N(C1=O)C)c2ccccc2 M225020 [2H]C([2H])([2H])N1C(=O)C(C(=O)NC1=O)(CC)c2ccccc2 M225022 Cc1cc2c([nH]1)cccc2OCC(CNC(C)C)O M225025 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cc([nH]2)C)O M225027 Cc1cc(n[nH]1)CCN2CCN(CC2)c3cccc(c3)Cl M225030 [2H]C1(C(N(C(C(N1CCc2cc([nH]n2)C)([2H])[2H])([2H])[2H])c3cccc(c3)Cl)([2H])[2H])[2H] M225032 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C M225040 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C M225045 CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C)OC(=O)CC M225050 [2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] M225052 [2H]C([2H])([2H])N1CCCCC1C(=O)Nc2c(cccc2C)C M225057 Cc1cccc(c1NC(=O)C2CCCCN2C)C.Cl M225060 Cc1cccc(c1NC(=O)C2CCCC[N+]2(C)[O-])C M225065 [2H]C([2H])([2H])[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)[O-] M225067 Cc1cccc(c1NC(=O)[C@H]2CCCCN2C)C.Cl M225070 Cc1cccc(c1NC(=O)[C@@H]2CCCCN2C)C.Cl M225075 CCC1(CCCCN(C1)C)c2cccc(c2)O.Cl M225080 c1cc2c(cc1)Sc3c(cccc3)N2C[C@H]4[C@H]5CC[N@@](C4)CC5 M225105 c1cc2c(cc1)Sc3c(cccc3)N2C[C@H]4[C@H]5CC[N@@](C4)CC5 M225110 [2H][13C](N1c2c(cccc2)Sc3c1cccc3)([C@H]4[C@H]5CC[N@@](C4)CC5)[2H] M225112 c1nc(c2c(n1)[nH]c(n2)S)N M225150 c1ccc2c(c1)[nH]c(n2)S M225190 Cc1cc(ccc1O)S M225225 CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C M225250 c1cc(cnc1)c2cnc([nH]2)S M225300 CC(=O)SCP(=O)(c1ccccc1)c2ccccc2 M225340 c1c(cc(nc1C(=O)O)C(=O)O)CS M225380 C[C@@H](C(=O)O)NC(=O)C(C)S M225390 CC(C(=O)N[C@@H](CO)C(=O)O)S M225400 CC(C)[C@@H](C(=O)O)NC(=O)C(C)S M225420 c1[nH]c2c(n1)[nH]cnc2=S.[OH] M225450 c1nc(c2[13c](n1)[nH][13cH][15n]2)S M225452 CS(=O)(=O)C#N M225470 c1cnccc1S M225500 C1CSC(=S)N1 M225550 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)[O-])[C@@H](C)O.[Na+] M225620 [2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1)SC2=C(N3[C@H]([C@H]2C)[C@H](C3=O)[C@@H](C)O)C(=O)O)C([2H])([2H])[2H] M225623 CC(Cc1ccccc1)[n+]2cc(on2)[N-]C(=O)Nc3ccccc3 M225650 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)[N-]c2c[n+](no2)C(C)Cc3ccccc3)[2H])[2H] M225652 CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C M225670 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C M225672 CCCOc1cc(ccc1OC)[C@]2(CNC(=O)O2)C M225675 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc(ccc1OC)[C@]2(CNC(=O)O2)C M225677 C(CS(=O)(=O)[O-])S.[Na+] M225750 [2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])S.[Na+] M225752 CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)C M225760 CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@@]2([C@@H]3[C@@H]1[C@@H]4[C@@H]5C[C@@H]5[C@]6([C@]4(CC3)C)CCC(=O)O6)C M225770 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C M225790 [2H]C1(C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)[2H] M225792 C[C@H]1CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C M225800 CNCCC(c1ccccc1)Oc2cccc(c2)C(F)(F)F.Cl M225820 CNC1Cc2ccccc2N(c3c1cccc3)C M225830 [2H]C([2H])([2H])N1c2ccccc2CC(c3c1cccc3)NC M225832 CC(C)NCC(c1cc(cc(c1)O)O)O M225835 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1cc(cc(c1)O)O)O M225837 Cc1cc(cc(c1)OCC2CNC(=O)O2)C M225850 [2H]C([2H])([2H])c1cc(cc(c1)OCC2CNC(=O)O2)C([2H])([2H])[2H] M225852 Cc1cccc(c1N(Cn2cccn2)C(=O)CCl)C M225855 [2H]C([2H])([2H])c1cccc(c1N(Cn2cccn2)C(=O)CCl)C([2H])([2H])[2H] M225857 CC[C@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)O M225860 CC[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)O M225861 [2H]C([2H])([2H])C[C@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)O M225862 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2.Cl M225865 [2H]C([2H])([2H])CC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2.Cl M225867 CCC(=O)C(CC(C)[N+](C)(C)[O-])(c1ccccc1)c2ccccc2 M225870 CS(=O)(=O)SCCCCCCCC(=O)O M225875 CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2.Cl M225880 CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2.Cl M225885 CCC(=N)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2 M225890 CC(=C)C(=O)OCCCCCCn1c(=O)c2ccc3c4ccccc4sc5c3c2c(c1=O)cc5 M225895 Cc1ccccc1n2c(nc3ccccc3c2=O)C M225900 [2H]c1cc(c(c(c1)n2c(nc3ccccc3c2=O)C)C([2H])([2H])[2H])[2H] M225902 CS(=O)(=O)SCCC(=O)N(Cc1c[nH]c-2nc(nc(=O)c2n1)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O M225905 CC[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)O.Cl M225910 [2H]C([2H])([2H])C[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)O.Cl M225912 CC[C@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)O M225920 CC(C(=O)c1ccccc1)NC.Cl M225925 [2H]C([2H])([2H])NC(C)C(=O)c1ccccc1.Cl M225927 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)n(n1)C M225935 [2H]C1([C@H](N[C@H](C(N1S(=O)(=O)c2ccc(c(c2)c3[nH]c4c(nn(c4c(=O)n3)C)CCC)OCC)([2H])[2H])C)C)[2H] M225937 COc1ccccc1OCC(COC(=O)N)O M225950 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)N)O)Oc1ccccc1OC M225952 COc1ccccc1OCC(COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O M225960 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)Oc2ccccc2OC M225962 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(COc2ccccc2OC)COC(=O)N)C(=O)OC)OC(=O)C M225965 COc1ccccc1OCC(COC(=O)N)OS(=O)(=O)[O-].[Na+] M225970 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)N)OS(=O)(=O)[O-])Oc1ccccc1OC.[Na+] M225972 Cc1ccccc1n2c(nc3ccc(cc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C M225985 Cc1ccccc1n2c(nc3ccc(cc3c2=O)OS(=O)(=O)O)C M225990 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C M226000 [2H]C([2H])([2H])[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O M226002 C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)C M226010 C[C@]12CC[C@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O)C)OC M226035 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=C4)OC)C M226040 CC(=O)Nc1ccc(c(c1)OC)O M226050 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)OC)O M226052 COC1CNC1.Cl M226060 COc1ccccc1CC(=O)O M226070 CC(=O)Oc1cc(ccc1OC)O M226075 COc1ccc(cc1)C(=O)c2ccccc2 M226080 COc1ccc(cc1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)Cc4ccccc4)CCl M226085 COc1[nH]c2c(cccc2n1)C(=O)OC M226100 COc1ccc(cc1)CN=C=S M226110 COc1ccc(cc1)CN2[C@H]3[C@H]([C@@H]4[C@H]([C@@H]3I)OC5(O4)CCCCC5)OC2=O M226115 COc1ccc(cc1)C/N=C(/O[C@@H]2C=C[C@H]3[C@@H]2OC4(O3)CCCCC4)\SC M226120 [2H]C([2H])([2H])[C@H](CCCC)CC(=O)N(C)OC M226127 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC)CCC4=CC(=O)C=C[C@]34C M226130 [2H]C([2H])([2H])O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C M226132 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2=O)OC)O M226135 [2H][13C]([2H])([2H])Oc1c(ccc2c1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O M226137 COCCc1ccc(cc1)OCC(CO)O M226140 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCOC)O)O M226142 COC(CN)c1ccc2c(c1)OCO2.Cl M226145 [2H]C([2H])([2H])OC(CN)c1ccc2c(c1)OCO2.Cl M226147 CN1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)OC M226150 [2H]C([2H])([2H])N1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)OC M226152 B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)OC M226155 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)COC)Cl)C)OC(=O)C M226165 COc1ccc(nc1)C(=O)O M226170 CC(C)(COC)C#N M226175 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)OC M226200 [2H]C([2H])([2H])CC(=O)c1ccc(cc1)OC M226228 CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C M226240 CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@H]4OC(=O)C)C)C M226250 CCNC1(CCCCC1=O)c2cccc(c2)OC M226300 [2H]C([2H])([2H])C([2H])([2H])NC1(CCCCC1=O)c2cccc(c2)OC M226302 CC(C)NCC(COc1cccc2c1cccc2OC)O.Cl M226450 COc1cc(n[nH]1)N M226600 COc1cc(c(nc1)N)N M226700 COCCc1ccc(cc1)N M227200 [2H]C([2H])([2H])OCCc1ccc(cc1)N M227202 CCCC(C)(COC(=O)N)COC(=O)N M227750 [2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)N M227752 CCCC(C)(COC(=O)N)COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O M227760 CCCC(C)(COC(=O)N)COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O.[Na+] M227761 CC(=O)Oc1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 M232895 CC(=O)Nc1ccc(c(c1)SSc2cc(ccc2O)NC(=O)C)O M250900 [2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)SSc2cc(ccc2O)NC(=O)C([2H])([2H])[2H])O M250902 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)S)[2H])[2H] M251612 c1ccc(c(c1)C(=O)O)S M251700 [2H]c1c(c(c(c(c1[2H])C(=O)O)S)[2H])[2H] M251702 c1cc(cc(c1)S)C(=O)O M252000 c1cc(ccc1C(=O)O)S M252480 c1cc(ccc1C(=O)O)S M252500 CC(=O)OCOC(=O)c1ccc(cc1)S M252515 c1cc(ccc1CO)S M252595 CC(C)(C)OC(=O)C(C)(C)O/N=C(/c1csc(n1)N)\C(=O)Sc2nc3ccccc3s2 M252610 C(CC(=O)O)CS M252625 c1cc(ccc1/C=C/C(=O)O)S M252650 COC(=O)/C=C/c1ccc(cc1)S M252660 c1c([nH]c(=S)[nH]1)C[C@@H](C(=O)O)N M253000 c1ccc2c(c1)c(c[nH]2)S M253300 CC(C)(C(=O)O)S M253400 COc1ccc(c(c1)C(=O)O)S M253460 CC(C)(CCOC=O)S M253540 [2H]C([2H])([2H])C(CCOC=O)(C([2H])([2H])[2H])S M253542 C1CC1(CC(=O)O)CS M253570 CC(CS)C(=O)O M253950 CC(CS)C(=O)NCC(=O)O M254000 [2H]C([2H])([2H])C(C(=O)NCC(=O)O)C([2H])([2H])S M254002 C(CCCCCOCCOCCOCCOCCOCCOCCOCC(=O)O)CCCCCS M254250 C1C2C(C(S1)CCCCC(=O)NCCNC(=O)OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCS)NC(=O)N2 M254265 C(CCCCCOCCOCCOCCO)CCCCCS M254325 c1ccc(c(c1)CC(=O)O)S M254475 c1cc(cc(c1)S)CC(=O)O M254500 c1cc(ccc1CC(=O)O)S M254550 c1ccc(c(c1)CCCC(=O)O)S M254700 c1cc(cc(c1)S)CCCC(=O)O M254705 c1cc(ccc1CCCC(=O)O)S M254710 c1cc(ccc1CCC(=O)O)S M255000 c1cc(c(nc1)C(=O)O)S.Cl M257000 C(CS)C(=O)O M257070 c1cc(cc(c1)NC(=O)[C@@H]2C[C@@H](CN2)SS[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)O)C(=O)O M257090 c1[nH]c2c(c(=S)n1)ncn2[C@H]3[C@H](C([C@H](O3)CO)O)O M257125 c1cc(c(cc1CCN)S)O.Cl M257500 CCCCSP(SCCCC)SCCCC M257700 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])SP(SC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] M257702 c1cc(c(cc1N)C(=O)O)O M258100 [13cH]1[13cH][13c]([13c]([13cH][13c]1N)C(=O)O)O.Cl M258102 [2H]c1c(c(c(c(c1N)[2H])C(=O)O)O)[2H].Cl M258103 c1cc(c(cc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)O)O M258110 Cc1cc(c(c(c1)C)C=O)C M258400 Cc1cccc(c1N(C(C)C(=O)OC)C(=O)COC)C M258740 [2H]C([2H])([2H])c1cccc(c1N(C(C)C(=O)OC)C(=O)COC)C([2H])([2H])[2H] M258742 C[13c]1[13cH][13cH][13cH][13c]([13c]1N(C(C)C(=O)OC)C(=O)COC)C M258743 CC(C(=O)N(C)c1ccccc1F)Oc2ccc(cc2)Oc3nc4ccc(cc4o3)Cl M258745 Cc1cc(c(c(c1)C)S(=O)(=O)n2cnc(n2)[N+](=O)[O-])C M258750 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC M258755 CNCC(c1ccc(c(c1)OC)O)O.Cl M258760 [2H]C([2H])([2H])NCC(c1ccc(c(c1)OC)O)O.Cl M258762 Cc1c(c(c(cn1)CO)CO)O.C1CC(=O)N[C@@H]1C(=O)O M258765 CC(=O)Nc1ccc(cc1)OC M258770 CC(=O)Nc1ccc(cc1)O[13CH3] M258772 CC(=C)C(=O)NC1CC(NC(C1)(C)C)(C)C M258775 CC(=C)C(=O)OCC1(COC1)c2ccccc2 M258780 CN(C)[C@H]1[C@@H]2C([C@@H]3C(=C)c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O.Cl M258785 C[C@@H](Cc1ccccc1)NC.Cl M258790 C[C@H](Cc1ccccc1)NC.Cl M258791 [2H]C([2H])([2H])N[C@@H](C)Cc1ccccc1.Cl M258792 [2H]C([2H])([2H])N[C@H](C)Cc1ccccc1.Cl M258793 CC(Cc1ccccc1)NC.Cl M258795 [2H]C([2H])([2H])NC(C)Cc1ccccc1.Cl M258797 CS(=O)(=O)SCSS(=O)(=O)C M258800 CN(C)C(=O)CCSS(=O)(=O)C M259000 CS(=O)(=O)SCCC(=O)NCCNc1cccc2c1cccc2S(=O)(=O)[O-].[Na+] M259500 CS(=O)(=O)SCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)[NH3+].C(=O)(C(F)(F)F)[O-] M259625 [2H]C1(C[C@]2([C@H]3Cc4ccc(cc4[C@@]2(CCN3CC5CCC5)C(C1([2H])[2H])([2H])[2H])OC)O)[2H] M261257 COC1=Cc2ccccc2N(c3c1cccc3)C(=O)N M261260 CO[n+]1cccc2c1[nH]c3c2cccc3.COS(=O)(=O)[O-] M261265 CO[15n+]1cccc2c1[15nH]c3c2cccc3.COS(=O)(=O)[O-] M261267 COc1ccc2c(c1)[C@]34CCN([C@H](C2)[C@@]3(CCC5(C4)OCCO5)O)CC6CCC6 M261270 CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC M261275 COC(=O)c1ccc(cc1)C(=O)CC(=O)C(F)(F)F M261280 COC(=O)N/N=C(/CCl)\N M261290 CC(C)(C)[C@@H](C(=O)O)NC(=O)OC M261295 COC(=O)N1C(=O)C=CC1=O M261300 C[n+]1c2ccccc2c(c3c1cccc3)C(=O)OC.COS(=O)(=O)[O-] M261330 Cc1ccc(cc1)c2cn3cc(ccc3n2)C(=O)OC M261335 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C(=O)OC)CC(=O)O M261340 [2H]C([2H])([2H])[n+]1cccc(c1)C(=O)OC.[I-] M261362 COc1ccc2c3ccnc4c3n(c2c1)c(=O)cc4 M261380 CCOC(=O)CCC(C(=O)O)NC(=O)OC M261400 COC(=O)CCCCCCCC(=O)O M261485 COC(=O)CCCCCCCCO M261500 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCCCCCCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C M261520 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCCCCCCCOC(=O)C)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O M261540 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCCCCCCC(=O)OC)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OCc3ccccc3 M261560 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCCCCCCCCC(=O)OC)CO)N6C(=O)c7ccccc7C6=O)OC(=O)C)OC(=O)C M261580 COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C(=O)c3ccccc3C2=O M261590 COc1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)OCCCCCCCCC(=O)OC)N4C(=O)c5ccccc5C4=O)O M261600 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C(=O)OC)Cl)CC1 M261610 COC(=O)N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O M261620 CNCc1cccc(c1)OC M263500 [2H]C([2H])([2H])NCc1cccc(c1)OC M263502 Cc1cc(=O)oc2c1ccc(c2)OC M263750 CN1CCC(=C2c3ccc(cc3CCc4c2ncc(c4)OC)Cl)CC1 M263950 [2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)OC)Cl)CC(N1C)([2H])[2H])[2H] M263952 CC1(OCCO1)OC M264200 CCCc1[nH]c(c(n1)C(C)(C)OC)C(=O)OCC M264210 C[C@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O M264270 C[C@@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O M264275 C[C@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C M264280 C[C@@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C M264285 COc1ccc2c(cc(=O)oc2c1)CC(=O)NCCS(=O)(=S)OC M259800 CS(=O)(=O)SCCCCCCCCCCCCCCCC(=O)O M259940 Cc1cc2c(cc1C)n(c-3nc(=O)n(c(=O)c3n2)CSS(=O)(=O)C)C M259960 CS(=O)(=O)SCCCN1c2ccccc2Sc3c1cccc3 M259965 CN(C)CCN(Cc1cccs1)c2ccccn2.Cl M259970 [2H]C([2H])([2H])C(c1ccc(cc1)C#CCCOS(=O)(=O)C)(C(=O)OC)C([2H])([2H])[2H] M260075 CN1CCC(C1)CN2c3ccccc3Sc4c2cccc4.Cl M260100 [2H]C1(CC(CN1C)C([2H])([2H])N2c3ccccc3Sc4c2cccc4)[2H].Cl M260102 CC(C(=O)c1ccc(cc1)OC)NC.Cl M260150 [2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)OC.Cl M260152 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)[O-])C.[Na+] M260175 [2H]C([2H])([2H])Oc1cccc(c1C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-])OC([2H])([2H])[2H].[Na+] M260177 Cn1ccnc1S M260300 [2H]C([2H])([2H])n1ccnc1S M260302 Cn1ccnc1S[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O M260310 CSCC[C@@H](C(=O)O)N M260440 [2H]C([2H])([2H])SCC[C@@H](C(=O)O)N M260442 CS(=O)CC[C@@H](C(=O)O)N M260450 C[S+](C)CC[C@@H](C(=O)O)N.[Cl-] M260470 [2H]C([2H])([2H])[S+](CC[C@@H](C(=O)O)N)C([2H])([2H])[2H].[Cl-] M260472 CS(=N)(=O)CC[C@@H](C(=O)O)N M260500 CS(=N)(=O)CC[C@@H](C(=O)O)N M260505 C[S@](=N)(=O)CC[C@@H](C(=O)O)N M260510 CSc1ncc(c(n1)N)CO M260520 C/C(=N/O)/SC M260540 [2H]C([2H])([2H])[N@@+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C.[I-] M260572 CC(Cc1cccs1)NC.Cl M260600 CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C M260650 [2H]C([2H])([2H])N1C(=O)C(C(=O)NC1=O)(CC=C)C(C)C#CCC M260652 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O M260675 [2H]C([2H])([2H])N(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O M260677 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)OC)C(=O)OC M260685 [2H]C([2H])([2H])N(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)OC)C(=O)OC M260687 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)NCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C(=O)O M260710 CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)NC[C@@H]4[C@H](C[C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)N)O)N)N)N)O)C(=O)O M260780 CC(CN1c2ccccc2Sc3c1cc(cc3)OC)CN(C)C.Cl M260785 [2H]C([2H])([2H])Oc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C.Cl M260786 [2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cc(cc3)OC)C([2H])([2H])[2H].Cl M260787 CC(CN1c2ccccc2Sc3c1cc(cc3)OC)CN(C)C.C(=C\C(=O)O)\C(=O)O M260788 CC(CN1c2ccccc2S(=O)c3c1cc(cc3)OC)CN(C)C M260790 [2H]C([2H])([2H])N(CC(C)CN1c2ccccc2S(=O)c3c1cc(cc3)OC)C([2H])([2H])[2H] M260792 COc1c2c(ccc(=O)o2)cc3c1occ3 M260795 [2H][13C]([2H])([2H])Oc1c2c(ccc(=O)o2)cc3c1occ3 M260797 CC(=O)c1ccc2cc(ccc2c1)OC M260805 [2H]C([2H])([2H])C(=O)C([2H])([2H])c1ccc(cc1)OC M260817 COc1cccc(c1N)C(=O)N M260835 COc1cc(ccc1C(=O)O)N M260850 C[C@@H]([C@@H](C(=O)NOC)NC(=O)OC(C)(C)C)OS(=O)(=O)C M260860 CCS(=O)(=O)c1cc(c(cc1N)OC)C(=O)O M260880 CCSc1cc(c(cc1N)OC)C(=O)O M260890 COc1ccc(cc1NC=O)N M260895 COc1cc(c(cc1C(=O)O)S)N M260900 CCCC(c1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I)OC M260915 C[C@H](Cc1ccc(cc1)OC)N.Cl M260920 COc1ccc(cc1)C(=N)N.Cl M260925 B(c1ccc(cc1)OC)(O)O M260945 CCC(=O)N[C@@H]1CCc2ccc(cc2[C@H]1OC(=O)C(c3ccccc3)OC)OC M260950 COc1ccc(cc1)[13C](=O)O M260962 COc1cccc(c1)C(=O)c2ccc(cc2)C(=O)O M261000 COc1ccccc1C(=O)Cl M261020 CCN(CC)C(=O)c1ccc(cc1)C(=O)c2cccc(c2)OC M261030 COc1ccc2ccc3c4ccccc4cc5c3c2c1cc5 M261035 COc1ccccc1CN M261040 COc1cccc(c1)CN M261045 CC(=O)OC1CC(N(C1=O)Cc2ccc(cc2)OC)c3cccnc3 M261060 COc1ccc(cc1)[13CH2]O M261067 COc1ccc(cc1)CNc2ccc(cc2C(=O)C(F)(F)F)Cl M261068 COc1ccc(cc1)CN2C(CCC2=O)c3cccnc3 M261070 [2H]c1c(c(c(nc1[2H])[2H])C2CCC(=O)N2Cc3ccc(cc3)OC)[2H] M261072 COc1cccc(c1)CBr M261075 COc1ccc(cc1)C[N+]2=C3C=CC=CN3CC2.[Cl-] M261080 COc1cc(c(cc1OCc2ccccc2)O)C(=O)C(Cc3ccccc3)Cc4ccccc4 M261090 CCOC(=O)C1=C(C(=O)N(C1c2cccnc2)Cc3ccc(cc3)OC)O M261100 CCCC(c1cc2ccccc2o1)OC M261120 CC(=O)c1cc(c(cc1OCc2ccccc2)OCc3ccccc3)OC M261145 COc1cc(c(cc1OCc2ccccc2)OCc3ccccc3)C(=O)/C=C/c4ccc(cc4)OCc5ccccc5 M261150 COc1cccc(c1)CC2CCNCC2 M261175 [2H]C1(CC(CC(N1)([2H])[2H])Cc2cccc(c2)OC)[2H] M261177 COc1ccc(cc1)CN2[C@@H](C[C@@H](C2=O)O)c3cccnc3 M261200 COc1ccc(cc1)/C=N/[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O M261205 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)/N=C/c2ccc(cc2)OC)OC(=O)C)OC(=O)C M261210 COc1ccc(cc1)CS M261215 CC1(C(=O)NC(=O)N1)Cc2ccc(cc2)OC M261218 CNCCN(Cc1ccc(cc1)OC)c2ccccn2 M261220 COc1ccc(cc1)CN2c3ccc(cc3C(=C(C#N)C#N)C2=O)S(=O)(=O)N4CCSCC4 M261225 COc1cc(c(cc1OCc2ccccc2)/C=C/[N+](=O)[O-])[N+](=O)[O-] M261230 COc1ccc(cc1)CN(CCN)c2ccccn2 M261235 COc1ccc2c(c1)onc2C3CCN(CC3)C(=O)OCc4ccccc4 M261240 COc1ccc(cc1)CC2c3ccccc3C(=O)O2 M261245 COc1cc(ccc1OCc2ccccc2)CCN.Cl M261250 COc1ccc2c(c1)[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)CC5CCC5)O M261255 CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C(=O)OC M261625 COC(=O)c1ccc2c(c1)C(CC(=O)O2)c3ccccc3 M261630 B(c1cccc(c1)C(=O)OC)(O)O M261635 COC(=O)c1ccc(nc1)C(=O)O M261640 C/C(=C\C(=O)OC)/N[C@H](c1ccc(cc1)O)C(=O)[O-].[K+] M261650 CC1([C@@H]([C@@H](C(N1[O])(C)C)C(=O)OC)C[N+](=O)[O-])C M261660 CC1(CC(=O)C(C(N1O)(C)C)C(=O)OC)C M261665 CC1(C=C(C(N1[O])(C)C)C(=O)OC)C M261670 COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OC M261700 CCOC(=O)CCC(C=C)NC(=O)OC M261780 [2H][13C](=CC(CCC(=O)OCC)NC(=O)OC)[2H] M261782 CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)OC)Cl M262025 COc1ccc(cc1)/C=C/C(=O)O M262150 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)CC([C@]34C)OC M262200 COc1ccc2c(cc(=O)oc2c1)CC(=O)O M262250 COc1ccc2c(cc(=O)oc2c1)CC(=O)ON3C(=O)CCC3=O M262260 Cc1cnc(c(c1OC)C)Cn2c3ccc(cc3nc2S(=O)Cc4c(c(c(cn4)C)OC)C)OC M262310 [2H]C([2H])([2H])Oc1ccc2c(c1)nc(n2Cc3c(c(c(cn3)C)OC)C)S(=O)Cc4c(c(c(cn4)C)OC)C M262312 Cc1cnc(c(c1OC)C)Cn2c3ccc(cc3nc2SCc4c(c(c(cn4)C)OC)C)OC M262315 [2H]C([2H])([2H])Oc1ccc2c(c1)nc(n2Cc3c(c(c(cn3)C)OC)C)SCc4c(c(c(cn4)C)OC)C M262317 Cc1cnc(c(c1OC)C)Cn2c3ccc(cc3nc2S(=O)(=O)Cc4c(c(c(cn4)C)OC)C)OC M262320 [2H]C([2H])([2H])Oc1ccc2c(c1)nc(n2Cc3c(c(c(cn3)C)OC)C)S(=O)(=O)Cc4c(c(c(cn4)C)OC)C M262322 COc1ccc2c(cc(=O)oc2c1)CC(=O)N3CCCC3C(=O)O M262350 CC(C)(C)OC(=O)C1CCCN1C(=O)Cc2cc(=O)oc3c2ccc(c3)OC M262360 COC1=CCCCC1 M262390 COC1=CCCCC1.COC1(CCCCC1)OC M262395 COc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N M262400 [2H]C([2H])(c1ccc(c(c1)OC)O)C([2H])([2H])N.Cl M262412 COC1C[C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3 M262415 COc1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl M262420 COc1ccc2ccc3ccccc3c(=O)c2c1 M262430 COc1ccc2c(c1)C(=O)c3ccccc3CC2 M262440 CN(C)c1c2cc(c(cc2ncn1)OC)OCCc3ccc4ccccc4n3 M262455 COc1ccc2c(c1)C(=CCC2)CC#N M262460 [2H]C([2H])([2H])C(C1=CCC(=CC1)OC)(C([2H])([2H])[2H])O M262467 CC(C)N(CCc1c[nH]c2c1cc(cc2)OC)C(C)C.Cl M262470 [2H]C([2H])(c1c[nH]c2c1cc(cc2)OC)C([2H])([2H])N(C(C)C)C(C)C.Cl M262472 CN(C)CCc1c[nH]c2c1cc(cc2)OC M262475 CC(=C)C(=O)N(C)OC M262480 CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)OC)O)[N+](=O)[O-])/C#N M262485 CCN(CC)C(=O)/C(=C\c1cc(c(c(c1)OC)O)[N+](=O)[O-])/C#N M262490 COCCOCOc1cccc(c1)C=O M262495 COCCOCOc1cccc(c1)[C@@H](CO)O M262500 COCCOCOc1cccc(c1)C2CO2 M262505 CC(C)(CN)COC.Cl M262510 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OCOCCOC)(C)O)C)C)O)(C)O M262515 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2=O)O)OC M262520 COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2nc([nH]c3=O)N)CO)O M262525 COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)CO)O M262535 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)COCCOC)O)(C)O)C)C)O)(C)O.[Cl-] M262540 COCCCC/C(=N\O)/c1ccc(cc1)C(F)F M262550 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O)OC M262555 Cc1cn2c(c(c1=O)C)c(=S)n3c2nc4c3cc(cc4)OC.Cc1cn2c(c(c1=O)C)c(=S)n3c2nc4c3ccc(c4)OC M262560 COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O M262565 COCCO[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(nc2=O)N)CO)O M262570 COCCc1ccc(cc1)O M262575 CC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)OCCOC M262580 COCCc1cccc(c1)O M262585 COCCc1ccc(cc1)OCC2CO2 M262590 COCCc1ccc(cc1)OC[C@@H]2CO2 M262595 COCCc1ccc(cc1)OC[C@H]2CO2 M262596 COCC(=O)c1ccc(cc1)O M262600 COc1ccc2c(c1)Nc3ccccc3CC2 M262605 CC\1=CCCC(/C1=C/CC(C)OC)(C)C M262610 CC1(CC(CC(N1[O-])(C)C)OP(=O)(OC)F)C M262615 COc1ccc2cnccc2c1 M262620 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC M262625 [2H]C([2H])([2H])Oc1cc2c(cc1O)CCC3C2CC[C@]4(C3CC[C@@H]4O)C M262627 [2H][C@]1([C@]2(CCC3c4cc(c(cc4CCC3C2CC1([2H])[2H])O)OC)C)O M262628 C[C@]12CCC3c4ccc(c(c4CCC3C1CC[C@@H]2O)OC)O M262630 [2H]C([2H])([2H])Oc1c(ccc2c1CCC3C2CC[C@]4(C3CC[C@@H]4O)C)O M262632 [2H][C@]1([C@]2(CCC3c4ccc(c(c4CCC3C2CC1([2H])[2H])OC)O)C)O M262633 COCCOc1cc2c(cc1OCCOC)ncnc2O M262635 COC1=Cc2ccccc2Nc3c1cccc3 M262638 CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2ncc(c4)OC)Cl)CC1 M262640 [2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)OC)Cl)CC(N1C(=O)OCC)([2H])[2H])[2H] M262642 COc1cccc(c1[N+](=O)[O-])C(=O)N M262645 COc1ccc2c(c1)CC[C@@H]([C@@H]2c3ccc(cc3)OCCN4CCCC4)c5ccccc5 M262650 COc1ccc2c(c1)Nc3ccccc3C=C2 M262655 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)Nc2ccc(cc2)OC)/C)/C M262660 COCCc1ccccc1O M262665 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCC(c2cc(cc(c2)O)O)O M262672 CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)OC)O M262680 CC(=O)/C(=N/OC)/C(=O)OC M262685 [2H]C([2H])([2H])O/N=C(/C(=O)C)\C(=O)OC M262687 [2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)[O-].[NH4+] M262692 COc1ccc2c(c1)C(=O)CC2 M262695 CC(C)NCCc1c[nH]c2c1cc(cc2)OC M262700 [2H]C([2H])(c1c[nH]c2c1cc(cc2)OC)C([2H])([2H])NC(C)C M262702 COc1ccc2c(c1)cc[nH]2 M262710 COc1ccc2cc[nH]c2c1 M262715 CON.Cl M262720 [2H]C([2H])([2H])ON.Cl M262722 COC1(CCn2c1ccc2C(=O)c3ccccc3)C(=O)O M262725 CN1CCc2cc(c(cc2C1Cc3cc(c(c(c3)OC)OC)OC)OC)OC M262730 COc1cc(cc(c1OC)OC)CC2c3cc(c(cc3CCN2[13CH3])OC)OC M262732 COc1ccc2c(c1)nc([nH]2)S M262760 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)S M262762 COc1cc(ccc1C(=O)O)S M262815 CC(Cc1cccc(c1)OC)NC.Cl M262825 [2H]C([2H])([2H])NC(C)Cc1cccc(c1)OC.Cl M262827 CC(Cc1ccc(cc1)OC)NC.Cl M262830 [2H]C([2H])([2H])NC(C)Cc1ccc(cc1)OC.Cl M262832 COCOc1ccccc1C(=O)O M262840 COc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)[N+](=O)[O-])C(=O)OC M262875 CC(c1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl)OCOC M262930 CCCC[Sn](CCCC)(CCCC)COCOC M263000 COc1ccc(cc1)c2cc3ccc(cc3s2)OC M263060 COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)Nc4n[13c]5c([13c](n4)OC)[15n]cn5[C@H]6C[C@@H]([C@H]([C@H]6O)COCc7ccccc7)OCc8ccccc8 M263072 COCOC(COC(=O)c1ccccc1)COC(=O)c2ccccc2 M263100 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)c1ccccc1)OCOC)OC(=O)c2ccccc2 M263102 COCCCOc1cc(ccc1OC)CO M263130 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)CBr M263140 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)CO M263145 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H](C(=O)Sc2ccccn2)NC(=O)OCc3ccccc3 M263150 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H](C(=O)O)NC(=O)OCc2ccccc2 M263160 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H](C(=O)OC)NC(=O)OCc2ccccc2 M263165 CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@@H]2CCC(=O)O2)NC(=O)OCc3ccccc3 M263175 CC(C)C1C[C@H](OC1=O)[C@H](C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)NC(=O)OC(C)(C)C M263250 CC(C)[C@H]1C[C@H](OC1=O)[C@H](C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)NC(=O)OC(C)(C)C M263255 CC(C)[C@@H]1C[C@H](OC1=O)[C@H](C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)NC(=O)OC(C)(C)C M263256 Cc1c(cccc1OC)N M263300 Cc1ccc(cc1)C(=O)c2cccc(c2)OC M263400 C[C@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)OC M264290 C[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)OC M264295 COCOc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)[N+](=O)[O-] M264320 [2H]c1c(c(c(c(c1N2CCN(CC2)c3ccc(cc3)OCOC)[2H])[2H])[N+](=O)[O-])[2H] M264322 COCOc1ccc(cc1)N2CCNCC2 M264330 COCOc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N M264340 [2H]c1c(c(c(c(c1N)[2H])[2H])N2CCN(CC2)c3ccc(cc3)OCOC)[2H] M264342 COCOc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4 M264350 [2H]c1c(c(c(c(c1NC(=O)Oc2ccccc2)[2H])[2H])N3CCN(CC3)c4ccc(cc4)OCOC)[2H] M264352 COC1CCS(=O)(=O)C1 M264375 Cc1cc2cc(ccc2[nH]1)OC M264400 CC1Cc2cc(ccc2N1)OC M264410 Cc1c2cc(ccc2[nH]c1C(=O)O)OC M264420 [2H]C([2H])([2H])c1c2cc(ccc2[nH]c1C(=O)O)OC M264422 Cc1ccc(c(c1)C(CC(=O)NC(C)C)c2ccccc2)OC M264460 [2H]C1(C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)O)[2H] M287853 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@]4(C)O)O)C)O M287880 [2H]C([2H])([2H])[C@@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)O M287882 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@]4(C)O)O)C)O M287890 [2H]C([2H])([2H])[C@@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)O M287892 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H]([C@]4(C)O)O)C)O M287900 [2H]C([2H])([2H])[C@@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)O M287902 C[C@]12CC[C@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C)O)C)O M287910 CNc1ccccc1C(=O)OC2[C@H]([C@H](O[C@H]2n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O M288050 CNc1ccccc1C(=O)O[C@@H]2[C@H]3[C@@H](COP(=O)(O3)[O-])O[C@H]2n4cnc5c4nc([nH]c5=O)N.[Na+] M288250 CO[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O M288255 [2H]C([2H])([2H])O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O M288257 CO[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)O M288260 [2H]C([2H])([2H])O[C@@H]1[C@@H]([C@H]([C@H](CO1)O)O)O M288262 CC(C)CC(=O)N1[C@@H](COC1=O)Cc2ccccc2 M294335 [2H]C([2H])([2H])[C@H](CC)C(=O)Cl M294352 [2H]C([2H])([2H])C([2H])(CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C([2H])([2H])[2H].[Br-] M294357 Cc1cc(ccc1O[C@H](CCI)c2ccccc2)OC(=O)OC(C)(C)C M294360 CC[C@@H](C)C(=O)O M294365 [2H]C([2H])([2H])[C@@H](CC)C(=O)O M294367 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N=CC(=O)c1ccc(c(c1)C(=O)OC)O M294372 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)CC(c1ccccc1)c2cc(ccc2OC)C M264462 CC(C)Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)COC M264500 CC(COCOC)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O M264520 C[C@H]1[C@@H](C(=O)N1OC)NC(=O)OC(C)(C)C M264530 CCC1(C(=O)NC(=O)N(C1=O)COC)c2ccccc2 M264540 Cc1cc(cc(c1)OC)O M264580 C[C@H](Cc1ccc(cc1)OC)N[C@H](C)c2ccccc2.Cl M264590 [2H]C([2H])([2H])c1c(cccc1OC)C(=O)Nc2ccccc2 M264602 COCc1[nH]c2ccc(cc2n1)Sc3ccccc3 M264605 Cc1ccc(c(c1)C(CC(=O)O)c2ccccc2)OC M264610 Cc1ccnc(n1)OC M264625 C[C@H]1[C@H](c2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)OC)S(=O)(=O)c5ccccc5 M264635 C[C@@H]1[C@H](c2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)OC)S(=O)(=O)c5ccccc5 M264640 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OCOC M264650 Cc1[nH]c(=O)c2cccc(c2n1)OC M264655 Cn1cnc2cc(c(cc2c1=O)OCCc3ccc4ccccc4n3)OC M264660 COc1cc2c(cc1OCCCN3CCOCC3)c(=O)nc[nH]2 M264670 COc1ccc(c2c1cccc2)/C=C/C=O M264675 COc1ccc2ccccc2c1 M264685 CCOC(=O)CCc1ccc(c2c1cccc2)OC M264690 COc1ccc2cc(ccc2c1)CC(=O)O M264695 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)CC(=O)O M264697 COc1ccc(c2c1cccc2)CCC(=O)O M264700 COc1cccc2c1cccc2O M264705 COc1ccc2cccc(c2c1)O M264710 COc1ccc(c2c1cccc2)OCC3CO3 M264715 COc1ccc(c2c1cccc2)OC[C@H]3CO3 M264720 COc1ccc2cccc(c2c1)CC#N M264725 COc1ccc2cc(ccc2c1)CC#N M264730 COc1cccc2c1cccc2OCC3CO3 M264735 CC(c1ccc2cc(ccc2c1)OC)O M264740 COc1ccc2cc(ccc2c1)c3c(nc([nH]3)c4ccc(cc4)S(=O)C)c5ccncc5 M264745 COc1ccc(c2c1cccc2)C(=O)O M264750 [2H]C([2H])([2H])Oc1ccc(c(c1)[N+](=O)[O-])N M264752 COc1ccc2cc(ccc2c1)C(=O)O M264755 COc1ccc(c2c1cccc2)C(=O)Cl M264765 COc1cc(ccc1C(=O)O)[N+](=O)[O-] M264830 COc1ccc2cnccc2c1[N+](=O)[O-] M264920 COc1ccc2c(c1)C=CC(O2)c3ccc(cc3)[N+](=O)[O-] M264950 COc1ccc(c(c1)[N+](=O)[O-])C[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[Br-] M264980 COc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cscn2 M264990 COc1ccc(c(c1)[15N+](=O)[O-])N[13C](=O)[13c]2cscn2 M264992 C/C(=C/c1ccc(c(c1)OC)O)/[N+](=O)[O-] M265000 COc1ccncc1[N+](=O)[O-] M265050 CCC(Cc1ccc2c(c1)OCO2)NC.Cl M265085 [2H]C([2H])([2H])NC(CC)Cc1ccc2c(c1)OCO2.Cl M265087 Cc1ccc(c2c1cccc2)C(=O)c3cn(c4c3cccc4)CCCCCF M265110 [2H]C([2H])(CCCC([2H])([2H])F)n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)C M265112 Cc1cc2c3ccccc3ccc2c4c1cccc4 M265140 CC(C)[C@@H]([C@]12[C@H](C(C(=O)N1)(C)C)OC2=O)O M265145 [2H]C([2H])([2H])C1([C@H]2[C@](C(=O)O2)(NC1=O)[C@H](C(C)C)O)C([2H])([2H])[2H] M265147 COc1ccc2c(c1[N+](=O)[O-])cccn2 M265150 COc1ccc2cccnc2c1[N+](=O)[O-] M265155 Cc1c(ccnc1Cn2c3ccccc3nc2SCc4c(c(ccn4)OCCCOC)C)OCCCOC M265175 COCCCCCCCCO M265200 [2H]C([2H])(CCCC(=O)OC)C(=O)C([2H])([2H])COC M265237 COCC(=O)c1ccc(cc1)OCC2CO2 M265250 COc1ccc2c(c1)[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)O)CC5CCC5 M265260 COc1ccc2c(c1)c3ccccc3c(=O)[nH]2 M265270 [2H]C([2H])([2H])Oc1ccc2c(c1)c3ccccc3c(=O)[nH]2 M265272 COc1ccc(cc1)C2(CCCCC2)N3CCCCC3.Cl M265275 [2H]c1c(c(c(c(c1C2(CCCCC2)N3CCCCC3)[2H])[2H])OC)[2H].Cl M265277 COc1ccccc1O M265300 [2H]C([2H])([2H])Oc1ccccc1O M265302 CO[13c]1[13cH][13cH][13cH][13cH][13c]1O M265303 COc1cccc(c1)O M265305 COc1ccc(c(c1)O)C(=O)C2CCN(CC2)C(=O)OCc3ccccc3 M265310 COc1ccc(c(c1)O)/C(=N/O)/C2CCN(CC2)C(=O)OCc3ccccc3 M265315 COc1ccc(c(c1)O)/C(=N\O)/C2CCN(CC2)C(=O)OCc3ccccc3 M265320 CC(=O)O/N=C(/c1ccc(cc1O)OC)\C2CCN(CC2)C(=O)OCc3ccccc3 M265325 COc1ccc2c(c1)Nc3ccccc3S2 M265330 COc1ccc(c(c1)O)C(=O)C2CCNCC2.Cl M265340 COc1ccccc1OCC=O M265420 COc1cccc(c1)OCCN M265450 [2H]C([2H])([2H])Oc1cccc(c1)OCCN M265452 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(c4c3ccc(c4)OC)S(=O)(=O)c5ccccc5)C M265470 C[C@@H]1CCc2c(ccc3c2C(=O)c4cccc(c4C3=O)OC)C1 M265640 COc1ccccc1OCCN.Cl M265650 COc1ccccc1OCCNC(=O)c2ccccc2 M265665 COc1ccccc1OCCNCc2ccccc2 M265670 COc1ccccc1OCC2CO2 M265700 [2H]C([2H])([2H])Oc1ccccc1OCC2CO2 M265702 COc1cccc(c1)CC(=O)O M265770 CO[C@@H](c1ccccc1)C(=O)O M265775 CC(=O)Cc1ccc(cc1)OC M265790 COc1ccc(cc1)CC(=O)c2ccccc2 M265795 COc1ccc(cc1)C(=O)Cc2ccccc2 M265800 COc1ccc(cc1)C#C M265805 COc1ccccc1C2CCN2.Cl M265850 B1(OC(C(O1)(C)C)(C)C)c2ccccc2OC M265900 B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)OC M265905 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)OC M265910 CCOC(=O)C(=Cc1cccc(c1)OC)C(=O)OCC M265925 CCOC(=O)C(Cc1cccc(c1)OC)C(=O)OCC M265930 COc1cccc(c1)CC(CO)CO M265940 CC(=O)OCC(Cc1cccc(c1)OC)CO M265945 CC(=O)OCC(Cc1cccc(c1)OC)COS(=O)(=O)C M265950 COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC(=O)[C@@]4(Cc5c(c(c6c(c5O)C(=O)c7cccc(c7C6=O)OC)O)[C@H](C4)O)O M266060 COc1cccc(c1)C(=O)Nc2ccccc2 M266095 CCC(c1ccc(cc1)OC)C(=O)c2ccccc2 M266100 CCC(c1ccccc1)C(=O)c2ccc(cc2)OC M266105 CN(C)C(=O)Cc1cccc(c1)OC M266110 COc1ccccc1N2CCN(CC2)CC(=O)Nc3ccccn3 M266120 COc1cccc(c1)CCO M266130 COc1ccc(cc1)CCO M266135 COc1ccc(cc1)CCc2ccccc2C(=O)O M266145 CN(/C=C/C=O)c1ccccc1 M266150 CNc1ccc(cc1[N+](=O)[O-])C(=O)O M266155 [2H]C([2H])([2H])Nc1ccc(cc1[N+](=O)[O-])C(=O)O M266157 Cc1ccc2c(c1)C=Cc3ccccc3N2 M266160 Cc1ccc2c(c1)C=Cc3ccccc3N2 M266165 CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4NCc5ccccc5)CO)C M266170 COc1ccccc1CC2CNC2 M266175 CC1(C(=O)OC(=N1)c2ccccc2)Cc3ccc(cc3)OC M266180 COc1ccccc1N2CCNCC2.Cl M266185 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccccc2OC)([2H])[2H])[2H].Cl M266187 COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)[N+](=O)[O-] M266190 CN1CCC(CC1)(C#N)c2cccc(c2)OC M266195 COc1ccc(cc1)C(c2ccccc2)C(=O)c3ccccc3 M266200 CCC(C)/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] M266210 COc1ccccc1N2CCNCC2 M266220 CCC(c1ccc(cc1)OC)O M266226 [2H]C([2H])([2H])CC(c1ccc(cc1)OC)O M266227 [2H]C([2H])(C)C(c1ccc(cc1)OC)O M266228 COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N M266230 COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)NC(=O)Oc4ccccc4 M266235 COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)n4cn[nH]c4=O M266245 COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)NC(=O)NN M266265 CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)NCc2cccc(c2)OC M266270 COc1ccc(cc1)c2ccc(nn2)N M266280 COc1ccc(cc1)n2ccccc2=O M266290 COc1ccc(cc1)/N=C(\C(F)(F)F)/Cl M266320 COc1cccc(c1)C2(NN2)C(F)(F)F M266345 COc1cccc(c1)C2(N=N2)C(F)(F)F M266350 COc1ccc(cc1)CC#N M266380 COc1ccc2c(c1)onc2C3CCNCC3.Br M266425 COCCOCCNC(=O)CCS(=O)(=S)OC M266475 COCCOCCNC(=O)CCSS(=O)(=O)C M266501 [2H]C([2H])([2H])OCCCO M266562 B(/C=C/COC)(O)O M266580 C[C@@H](C(=O)N)OC M266925 C[C@@H](C(=O)N)OC M266930 C[C@@H](C(=O)O)OC M266950 C[C@@H](C(=O)O)OC M266955 C[C@@H](C#N)OC M266975 C[C@@H](C#N)OC M266980 CCC(=O)c1ccc(cc1)OC M267000 [2H]C([2H])(C)C(=O)c1ccc(cc1)OC M267002 CC(C)NCC(COc1ccc(c2c1cccc2)OC)O M267055 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)OC)O M267057 CC(C)NC[C@H](COc1ccc(c2c1cccc2)OC)O M267060 CC(C)NCC(COc1cccc2c1cc(cc2)OC)O M267100 COc1cc[n+](cc1)[O-].O M267130 COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)c5cccnc5 M267140 COc1cncnc1 M267150 COC1CCC(=O)N1 M267200 CC(C(=O)c1ccc(cc1)OC)N2CCCC2.Cl M267250 [2H]C1(C(C(N(C1([2H])[2H])C(C)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl M267252 COc1cccc2c1cccn2 M267395 COc1ccc2c(c1)cccn2 M267400 COc1ccc2cccnc2c1 M267405 COc1c(cccc1O)O M267600 COc1ccc(cc1O)O M267605 CC1=C(C(CCC1OC)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC)/C)/C M267805 COc1c2ccn(c2nc(n1)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O M268000 CCCN(CCC)CCc1cccc2c1CC(=O)N2OC M268200 CCCN(CCC)CCc1cccc2c1C(C(=O)N2)OC M268205 CCC(=O)c1ccc(c(c1)S(=O)(=O)N)OC M268380 [2H]C([2H])([2H])CC(=O)c1ccc(c(c1)S(=O)(=O)N)OC M268382 CC(Cc1ccc(c(c1)S(=O)(=O)N)OC)N.Cl M268420 [2H]C([2H])([2H])C(Cc1ccc(c(c1)S(=O)(=O)N)OC)N.Cl M268422 COc1ccc2c(c1)ccc[n+]2CCCS(=O)(=O)[O-] M268500 B(c1c(c(c(c(c1F)F)OC)F)F)(O)O M268650 COc1ccc2c(c1)C(=O)CCC2 M268700 COc1cccc2c1CCC(=O)C2 M268705 COc1ccc2c(c1)/C(=N/O)/CCC2 M268750 COc1cccc(c1)C(=O)C(F)(F)F M268850 COc1cc(ccc1C(=O)OC)C2(N=N2)C(F)(F)F M269600 COCCCC/C(=N\O)/c1ccc(cc1)C(F)(F)F M269650 Cc1cc(c(c(c1C=O)C)C)OC M269700 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)C=O)C M269702 Cc1cc(c(c(c1)OC)C)C M269750 [2H]C([2H])([2H])Oc1cc(cc(c1C)C)C M269752 Cc1cc(c(c(c1CO)C)C)OC M269800 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)CO)C M269802 C/C(=C\C(=O)CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)/CCCCn3c(=O)c4c(ncn4C)n(c3=O)C M270000 Cc1cc(c(c(c1CBr)C)C)OC M270500 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)CBr)C M270502 Cc1cc(c(c(c1C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)C)C)OC.[Br-] M271000 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)CP(c2ccccc2)(c3ccccc3)(c4ccccc4)Br)C M271002 CC1=CC(Nc2c1ccc(c2)OC)(C)C M271100 Cc1cc(oc(=O)c1)/C=C/C=C/c2c(cc(c(c2C)C)OC)C M271500 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C=C/c2cc(cc(=O)o2)C)C M271502 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=O)/C)C M271602 Cc1cc(c(c(c1/C=C/C(=C/CO)/C)C)C)OC M271620 [2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/CO)/C)C M271622 Cc1c(c(c(c(c1O)C)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC)C M271650 COc1ccc2c(c1)c(c[nH]2)CCN M271695 COc1ccc2c(c1)c(c[nH]2)CCN.Cl M271700 COc1c[nH]c(=O)[nH]c1=O M271750 CC(C)[C@H](C(=O)OCC(CO)OCOCn1cnc2c1nc([nH]c2=O)N)N M271815 CC(C)[C@@H](C(=O)OCC(CO)OCOCn1cnc2c1nc([nH]c2=O)N)N M271820 CC1(CC(=O)N(C1=O)C)c2ccccc2 M271900 [2H]c1c(c(c(c(c1[2H])[2H])C2(CC(=O)N(C2=O)C)C)[2H])[2H] M271902 COC(=O)Nc1[nH]c2ccc(cc2n1)SC M271950 [2H]C([2H])([2H])OC(=O)Nc1[nH]c2ccc(cc2n1)SC M271952 CC1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)N(C)C4C=C(C(C(C4O)O)O)CO M272100 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O M272500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)O M275000 Cc1ccc(cc1)NC(=O)C M275010 CC(=O)N[C@H]1C[C@H](O[C@@H]([C@H]1OC(=O)c2ccccc2)CBr)OC M275020 CC(=O)N[C@H]1C[C@H](O[C@@H]([C@H]1OC(=O)c2ccccc2)CO)OC M275030 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M275040 CC(=O)N[C@@H]1C[C@H](O[C@H]2[C@H]1O[C@@H](OC2)c3ccccc3)OC M275060 CC(=O)N[C@H]1C[C@H](O[C@H]2[C@H]1O[C@@H](OC2)c3ccccc3)OC M275065 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1OC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M275090 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OC)O M275115 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OC)OCC=C M275120 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COCc2ccccc2)O)OCc3ccccc3 M275130 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OCC=C M275135 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC=C M275140 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC)CO)O)O M275145 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)OC)NC(=O)C)O)O)O M275150 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O M275180 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OC)CO)O)CO)O)O M275185 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O M275225 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COC(=O)C)OC(=O)C)OC(=O)C M275230 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COC(=O)C)OC(=O)C)OC(=O)C M275235 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O)OCC=C M275240 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)OC(=O)C)OC(=O)C)OCC=C M275245 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)OC(=O)C)OC(=O)C)OC(=O)C)O M275250 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)COCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)OC(=O)C)OC(=O)C)OC(=O)C)OCC=C M275255 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M275260 CC(=O)N/C(=C\c1ccc(c(c1)OC(=O)C)OC(=O)C)/C(=O)OC M275275 CC(=O)Nc1ccc(c(c1)O)C(=O)OC M275280 CC(=O)N[C@@H]1[C@H]([C@@H](C(O[C@H]1[C@@H]([C@H](COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)(C(=O)OC)Cl)Sc5ccccc5)OCc6ccccc6 M275285 CC(=O)OC(CC(=O)O)C(=O)OC M275290 CC(=O)O[C@H](CC(=O)O)C(=O)OC M275295 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C(=O)COC(=O)C)/c3ccccc3 M275300 Cc1ccc(cc1)C(=O)C M275305 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)O M275310 CC(Cc1ccccc1)N2CCC(CC2)N(c3ccccc3)C(=O)C M275320 [2H]C([2H])([2H])C(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3ccccc3 M275322 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC)CO)O)CO)O)O M275325 CC(=O)NCC(=O)OC M275340 CCCCCCCCCCCCC(C(=O)OC)OC(=O)OC M275375 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O M275400 CC(=O)NC1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O M275405 CC(=O)NC1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OC)O M275410 C[C@H]1[C@@H]([C@H](C[C@@H](O1)OC)N)O M275500 COC(=O)c1c2ccccc2nc3c1cccc3 M275700 [2H]C([2H])([2H])n1cnc(c-2ncnc12)N M275905 [2H]C([2H])([2H])n1cnc2c1ncnc2N M275915 CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O M276150 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])N M276572 CNCCC(=O)O M276575 [2H]C([2H])([2H])NCCC(=O)O M276577 CN(CCCNc1nc2cc(c(cc2c(n1)N)OC)OC)C(=O)C3CCCO3.Cl M276650 [2H]C1(C(C(OC1([2H])[2H])([2H])C(=O)N(C)CCCNc2nc3cc(c(cc3c(n2)N)OC)OC)([2H])[2H])[2H].Cl M276652 COC(=O)CCNCC=C M276750 CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)OCC=C M277000 CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)OCC=C M278000 CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)c3ccccc3)OCC=C)O M278050 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OCc2ccccc2)OCc3ccccc3)OCC=C M279000 COC(=O)CCCN(CCC(=O)OC)CC=C M282250 COC(=O)CCN(CCC(=O)OC)CC=C M282275 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2OCC=C)OC)CO)O)OC(=O)C)OC(=O)C)OC(=O)C M285000 CNC[C@@H](C(=O)O)N M285550 Cc1c(c(=O)n(n1C)c2ccccc2)NC M285600 [2H]C([2H])([2H])Nc1c(n(n(c1=O)c2ccccc2)C)C M285602 CCOC(=O)CCCc1nc2cc(ccc2n1C)N M285645 [2H]C([2H])([2H])n1c2ccc(cc2nc1CCCC(=O)OCC)N M285647 CNc1ccc(cc1)C(=O)O M285665 CCOC(=O)c1ccc(cc1)NC M285670 C[15NH][13CH2][13CH](c1ccc(cc1)OCc2ccccc2)O M285707 COC(=O)c1cnc(c(n1)Br)N M285730 CCOC(CCCNC)OCC M285740 CNCCCC(=O)O M285745 [2H]C([2H])([2H])NCCCC(=O)O M285747 CNCCC[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1 M285752 B(c1cccc(c1)C(=O)NC)(O)O M285775 [2H][13C]([2H])([2H])NC(=O)c1cccc(c1)B(O)O M285777 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC(=O)c3ccccc3C(=O)NC M285800 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M285815 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Nc2ccc(cc2)Oc3ccnc(c3)C(=O)NC)OC(=O)C)OC(=O)C)OC(=O)C M285820 COc1cc(c(cc1C(=O)OC)Cl)N M285880 C/C(=C/C(=O)OC)/N M285900 CC1(COC2(CCC(CC2)NC)OC1)C M285940 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O.Cl M286000 COC(=O)CCCCCCCCCCCN.Cl M286060 [2H]C([2H])([2H])NCCO M286092 CNCCC(c1ccccc1)O M286120 CC(c1cc2ccccc2[nH]1)NC M286150 CNCCNS(=O)(=O)c1cccc2c1ccnc2 M286200 CNCCSS(=O)(=O)C.Br M286350 Cc1c(nc[nH]1)CSCCN M286500 [2H]C([2H])([2H])Nc1ccc(cc1[N+](=O)[O-])C(=O)N(CCC(=O)OCC)c2ccccn2.Cl M286582 CNc1ccc(cc1)c2cc(=O)c3cc(ccc3o2)O M286825 COC(=O)c1c2ccccc2[nH]c1N M286835 COC(=O)c1ccnc(c1)N M286840 [2H]C([2H])([2H])NCCC#N M286847 COC(=O)c1ccc(nc1)N M286855 COc1cc(ccc1C(=O)OC)N M286860 COc1cc(c(cc1C(=O)OC)SC#N)N M286870 CCCC(C(=O)c1ccc2c(c1)OCO2)NC.Cl M286880 Cc1ccc(c(c1)C(=O)OC)N M286885 CCC(C(=O)c1ccc2c(c1)OCO2)NC.Cl M286890 [2H]C([2H])([2H])NC(CC)C(=O)c1ccc2c(c1)OCO2.Cl M286892 CNCc1ccc(o1)CO M286895 CNc1c(cnc(n1)SC)CO M286900 CCOC(=O)c1cnc(nc1NC)SC M286905 Cc1cc2c(cccn2)c(c1NC)[N+](=O)[O-] M286910 CNc1c(cnc(n1)SC)C=O M286915 COC(=O)c1cccc(c1N)[N+](=O)[O-] M286920 CNc1ccc2c(c1[N+](=O)[O-])n[se]n2 M286935 [2H]C([2H])([2H])Nc1ccc2c(c1[N+](=O)[O-])n[se]n2 M286937 CNCP(=O)(O)O M286950 CN(c1ccccc1C(=O)OC)c2ccccc2N M286955 CNc1ccc2c(c1[N+](=O)[O-])nccn2 M286960 CCC(CO)(c1ccccc1)NC M286965 CNCCCNC(=O)/C=C/c1cccs1 M286970 Cc1ccc(cc1N)NC(=O)c2ccc(cc2)CN3CCN(CC3)C M286975 COC(=O)C[C@H](c1ccccc1)N M286980 CNC(CCCO)c1cccnc1 M286985 [2H]C([2H])([2H])NC(CCCO)c1cccnc1 M286987 CNCCCC(c1cccnc1)O M286990 CNCCC[13CH]([13c]1[13cH][13cH][13cH]n[13cH]1)O M286992 [2H]C([2H])(CCNC)C([2H])(c1cccnc1)O M286993 CNCCCC(=O)c1cccnc1 M287000 [2H]C([2H])([2H])NCCCC(=O)c1cccnc1 M287002 [2H]c1c(c(c(nc1[2H])[2H])C(=O)CCCNC)[2H] M287003 COC(=O)c1c[nH]nc1N M287010 CNC(CCC(=O)O)c1cccnc1 M287030 CNCCCCC(=O)c1cccnc1 M287125 CNCCC(c1cccs1)c2c3ccccc3ccc2O M287180 CNCC[C@H](c1cccs1)c2c3ccccc3ccc2O M287185 CNCCC(c1cccs1)c2c3ccccc3ccc2O M287190 CNCCC(c1ccc(c2c1cccc2)O)c3cccs3.Br M287200 CC1C(OC(=N1)N)c2ccccc2 M287225 [2H]c1c(c(c(c(c1[2H])[2H])C2C(N=C(O2)N)C)[2H])[2H] M287227 Cc1ccc(cc1)C2CN=C(O2)N M287230 [2H]C([2H])([2H])c1ccc(cc1)C2CN=C(O2)N M287232 CNCCC(c1cccs1)O.C(=O)(C(=O)O)O M287250 [2H]C([2H])([2H])NCCC(c1cccs1)O.C(=O)(C(=O)O)O M287252 COC(=O)c1csc(n1)N M287275 COC(=O)c1cnc(s1)N M287280 CCCC(C(=O)c1ccccc1)NC.Cl M287300 [2H]C([2H])([2H])NC(CCC)C(=O)c1ccccc1.Cl M287302 CCN1CCCC1CN(C)C(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC M287320 [2H]C([2H])([2H])N(CC1CCCN1CC)C(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC M287322 Cc1ccc(cc1)CC(C)N.Cl M287400 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)C)N.Cl M287402 CN1CCCCC1c2cccnc2 M287500 C[C@@H]1CC2=C(CCC3(C2)OCCO3)[C@@H]4[C@@H]1[C@@H]5CCC(=O)[C@]5(CC4)C M287750 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O M287850 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O M287852 CNC(=N)NCC[C@@H](C(=O)O)N M288265 CC(C)c1c(c(c(n1CC[C@H](C[C@@H](CC(=O)[O-])OC)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 M288270 CN1[C@@H]2CCC[C@H]1C[C@H](C2)N M288600 Cc1cc2c([nH]1)cccn2 M288655 Cc1cc2cnccc2[nH]1 M288660 Cc1c[nH]c2c1cccn2 M288665 Cc1c(c2cccnc2[nH]1)CC(=O)O M288670 COC(=O)C(=O)c1c[nH]c2c1cccn2 M288675 CN1CCCC(CC1)NNC(=O)c2ccccc2.Cl M288685 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)NNC2CCCN(CC2)C)[2H])[2H].Cl M288687 CC1c2cccnc2NC1=O M288695 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(c2ccccc2)(c3ccccc3)c4ccccc4)N=[N+]=[N-])OC(=O)c5ccccc5)OC(=O)c6ccccc6 M288725 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC)OCc2ccccc2)N=[N+]=[N-] M288745 Cc1cccc2c1c3cc4ccccc4cc3cc2 M288750 [2H]C([2H])([2H])c1cccc2c1c3cc4ccccc4cc3cc2 M288752 Cc1ccc2ccc3cc4ccccc4cc3c2c1 M288755 [2H]c1c(c(c2c(c3c(c(c(c4c3c(c(c(c4[2H])[2H])C([2H])([2H])[2H])[2H])[2H])[2H])c(c2c1[2H])[2H])[2H])[2H])[2H] M288757 Cc1ccc2c(c1)ccc3c2cc4ccccc4c3 M288760 [2H]C([2H])([2H])c1ccc2c(c1)ccc3c2cc4ccccc4c3 M288762 COC(=O)c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F M288765 Cc1ccc(cc1)C(=O)c2ccccc2 M288770 [2H]C([2H])([2H])c1ccc(cc1)C(=O)c2ccccc2 M288772 Cc1cccc2c1ccc3c2cc4ccccc4c3 M288775 [2H]C([2H])([2H])c1cccc2c1ccc3c2cc4ccccc4c3 M288777 Cc1cccc2c1nn[nH]2 M288780 [2H]C([2H])([2H])c1cccc2c1nn[nH]2 M288782 Cc1ccc2c(c1)nn[nH]2 M288785 [2H]c1c(c2c(c(c1C([2H])([2H])[2H])[2H])nn[nH]2)[2H] M288787 Cn1c2ccc(cc2nn1)CN M288790 Cc1cc2cc3ccccc3cc2c4c1cccc4 M288795 [2H]c1c(c(c2c(c3c4c(c(c(c(c4c(c(c3c(c2c1[2H])[2H])[2H])C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] M288797 C[C@H](c1ccccc1)N M288800 C[C@H](c1ccccc1)N M288801 Cc1cc2ccccc2c3c1cc4ccccc4c3 M288805 [2H]c1c(c(c2c(c3c(c(c2c1[2H])[2H])c4c(c(c(c(c4c(c3C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] M288807 Cc1c2ccccc2cc3c1ccc4c3cccc4 M288810 [2H]C([2H])([2H])c1c2ccccc2cc3c1ccc4c3cccc4 M288812 Cc1cccc2c1cc3ccc4ccccc4c3c2 M288815 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c4c(c(c(c(c4c3[2H])C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] M288817 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c4c(c(c(c(c4c3[2H])[2H])C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] M288822 Cc1ccc2cc3ccc4ccccc4c3cc2c1 M288825 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)C[C@@H](C(=O)OCC(Cl)(Cl)Cl)N M288830 Cc1cccc2c1cc3c(c2)ccc4c3cccc4 M288835 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c4c(c3[2H])c(c(c(c4C([2H])([2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] M288837 COS(=O)(=O)c1ccccc1 M288890 COC(=O)[C@H](c1ccccc1Cl)OS(=O)(=O)c2ccccc2 M288910 Cc1ccccc1C(c2ccccc2)O M288920 Cc1ccc(cc1)C(=O)C(=O)c2ccccc2 M288925 Cc1c2ccccc2sc1C=O M288935 COC(=O)/C=C/c1ccc(cc1)OCc2ccccc2 M288940 Cc1c2ccccc2on1 M288945 [2H]c1c(c(c2c(c1[2H])c(no2)C)[2H])[2H] M288947 CC(Cc1ccc2ccoc2c1)N.Cl M288950 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc2ccoc2c1)N.Cl M288952 Cc1ccc(cc1)C(=O)n2c3ccccc3nn2 M288955 CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)OC(=O)c4ccccc4 M288965 Cc1cccc(c1)C(=O)C2CCNCC2 M288980 Cc1ccc(cc1)C(=O)C2CCNCC2 M288985 CNCc1ccccc1 M288990 [2H]C([2H])([2H])NCc1ccccc1 M288992 COC(=O)CCNCc1ccccc1 M288995 CC(C)[C@@H](C(CO[Si](C)(C)C(C)(C)C)(C(=O)OC)NCc1ccccc1)O M288997 CC(C)[C@@H](C(CO)(C(=O)OC)NCc1ccccc1)O M288998 CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)N5C(=O)c6ccccc6C5=O M289000 Cc1ccccc1CN M289005 Cc1ccc(cc1)CN M289015 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OCc2ccccc2)N3C(=O)c4ccccc4C3=O M289725 COC(=O)[C@@H](COCc1ccccc1)O M289900 Cc1ccc(cc1)/C=C\2/[C@@H]3CC[C@](C2=O)(C3(C)C)C M290500 CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)N4C(=O)c5ccccc5C4=O M291000 CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)O M291395 CO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)O M291400 CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O)O M291500 CO[C@@H]1[C@@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OC)O M292100 CC1(O[C@H]2[C@H](O[C@@H]([C@H]2O1)OCc3ccccc3)/C=C\CC(=O)OC)C M292475 COC(=O)CCCN(CCC(=O)OC)Cc1ccccc1 M292590 CC1[C@@H]2Cc3ccc(cc3[C@@]1(CC[N@]2C(C)c4ccccc4)C)O M292650 CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1 M292725 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccccc2C(=O)OCc3ccccc3)C(=O)OC)OC(=O)C M292775 C[C@H](C(=O)OC)OCc1ccccc1 M292800 CC1CN(CCN1)Cc2ccccc2 M292840 [2H]C1(CN(C(C(N1)C)([2H])[2H])Cc2ccccc2)[2H] M292842 Cc1cccc(c1)CN2CCNCC2 M292850 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2cccc(c2)C)([2H])[2H])[2H] M292852 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC)OCc2ccccc2)OC(=O)C)OC(=O)C M293000 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC)N3C(=O)c4ccccc4C3=O)OCc5ccccc5)O)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 M294000 CS(=O)Cc1ccccc1 M294035 CNC(=N)NC(=N)N M294050 CC(CCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O M294075 COC(=O)c1ccc2cc(ccc2c1)NC(=O)CCCCC3C4C(CS3)NC(=O)N4 M294125 Cc1c(cccc1c2ccccc2)CO M294130 [2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)CO)[2H])[2H] M294132 [2H]c1c(c(c(c(c1C)[2H])[2H])c2ccccc2c3[nH]nnn3)[2H] M294137 Cc1ccc(c(c1)OCCOc2ccccc2N(CC(=O)OC)CC(=O)OC)N(CC(=O)OC)CC(=O)OC M294140 CO[C@@H]1[C@@H](C(=O)[C@H](O1)COCc2ccc(cc2Cl)Cl)OCc3ccc(cc3Cl)Cl M294145 CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COCc2ccc(cc2Cl)Cl)O)OCc3ccc(cc3Cl)Cl M294150 CC(C)(C)[Si](C)(C)OCC[C@@H](C(C)(C)C(=O)OC)O[Si](C)(C)C(C)(C)C M294160 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCCO4)CCC5=CC6(CC[C@]35C(=O)OC)OCCO6 M294175 [2H]C([2H])([2H])n1c2ccc(cc2nc1CCC([2H])([2H])C(=O)OC)N(CCO)CCO M294187 CCOC(=O)CCCc1nc2cc(ccc2n1C)N(CCO)CCO M294190 [2H]C([2H])([2H])n1c2ccc(cc2nc1CCCC(=O)OCC)N(CCO)CCO M294192 CC(C)(C)OC(=O)N(C)CCCO M294195 C[C@]1(CC(C(=O)N1C(=O)OC(C)(C)C)(C)C)C(=O)OC M294200 CC(C)(C)OC(=O)N[C@H](CC(=O)OC)c1ccccc1 M294205 COC(=O)C(c1ccccc1Cl)Br M294210 CN(CCc1ccccn1)CCc2ccccn2 M294215 [2H]C([2H])([2H])N(CCc1ccccn1)CCc2ccccn2 M294217 Cc1cccc(n1)C2=NCC(=O)Nc3c2cc(cc3)Br M294220 COC(=O)c1ccc2c(c1)[nH]c(c2C3CCCCC3)Br M294230 COC(=O)Cc1cc(=O)n(c(c1)Br)CC#C M294255 COC(=O)Cc1cc(=O)[nH]c(c1)Br M294280 COC(=O)/C=C/c1ccc(cc1)CBr M294290 CCCCCCCCCCCCC(C(=O)OC)Br M294300 COC(=O)Cc1ccc(cc1)Br M294310 CCC(C(=O)c1ccc(cc1)C)NC.Cl M294315 [2H]C([2H])([2H])NC(CC)C(=O)c1ccc(cc1)C.Cl M294317 Cc1ccc(cc1C#CC(C)(C)O)N M294320 CCCC(=O)c1ccc(cc1)C M294330 CCC(C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] M294375 [2H]C([2H])([2H])[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)C(C)CC.[Cl-] M294377 [2H]C([2H])([2H])[N+](C[C@@H](CC(=O)O)OC(=O)C(C)CC)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] M294378 CC(=CCOc1cc(cc2c1c(=O)c(c(o2)c3ccc(cc3)OCOC)OCOC)OCOC)C M294380 CC(C)(C)OC(=O)NC(=C)C(=O)OC M294385 CC(C)(c1ccc(cc1)Br)C(=O)OC M294390 [2H]C([2H])([2H])C(c1ccc(cc1)Br)(C(=O)OC)C([2H])([2H])[2H] M294393 CNCCCCN M294395 [2H]C([2H])([2H])C(CC)(CO)C([2H])([2H])[2H] M294396 [2H]C([2H])([2H])C(=CCO)C([2H])([2H])[2H] M294397 CC(=CCS)C M294400 [2H]C([2H])([2H])C(=CCS)C([2H])([2H])[2H] M294402 CC(=CCSC(=O)C)C M294405 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)OC)/C=C(\Cc3cccs3)/C(=O)OC M294406 [2H]C([2H])([2H])C(=CCSC(=O)C)C([2H])([2H])[2H] M294407 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)sc(c3C(=O)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O[Si](C)(C)C(C)(C)C)C(=O)OC)OC(=O)C M294408 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3c(c4ccc(cc4s3)O[Si](C)(C)C(C)(C)C)C(=O)c5ccc(cc5)OCCN6CCCCC6)C(=O)OC)OC(=O)C M294409 CC(C)(C)[Si](C)(C)OCC[C@@H](C(C)(C)C(=O)OC)O M294410 CC(C)c1c(c(c(c(n1)C(C)C)C(=O)OC)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C M294411 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)OC)O)O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C M294412 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/C(CC(=O)CC(=O)OC)O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C M294413 C[C@H](CO[Si](C)(C)C(C)(C)C)C(=O)OC M294415 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[Si](C)(C)C(C)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N6CCCCC6 M294418 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O[Si](C)(C)C(C)(C)C)N6CCCCC6 M294419 CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)(OC)O[C@H]6[C@H]7[C@H]([C@@H]([C@@H]8[C@H]6OC(O8)(C)C)OC(C)OCC)OC(O7)(C)C M294420 CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)(O)OC M294423 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)OC)C=O M294424 CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)N M294425 CC1(C[C@@H](N(C1=O)C(=O)OC(C)(C)C)C(=O)OC)C M294426 C[C@@H]1C[C@H](N(C1=O)C(=O)OC(C)(C)C)C(=O)OC M294427 C[C@H]1C[C@H](N(C1=O)C(=O)OC(C)(C)C)C(=O)OC M294428 CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC M294429 COC(=O)[C@H](CN)NC(=O)OCc1ccccc1.Cl M294430 CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)O)C(=O)O M294435 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)C M294437 [2H]C([2H])([2H])[C@H](CC)C(=O)N1[C@H](COC1=O)Cc2ccccc2 M294438 CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)NC(=O)OCc1ccccc1 M294440 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccccc2C(=O)O)C(=O)OC)OC(=O)C M294443 COc1cc(c(cc1C(=O)OC)Cl)NC(=O)C(F)(F)F M294447 Cc1cc2c3ccccc3[nH]c2nc1 M294449 CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)OC)OC(=O)O3)C M294450 COC(=O)c1ccc(=O)n(c1)c2ccccc2 M294451 Cn1c2ccc3c(c2nc1Cl)cccn3 M294452 CC1(CCCCC1)COc2ccc(cc2)CC(C(=O)OC)Cl M294453 COC(=O)c1cc(ccn1)Cl M294455 COC(=O)c1cc(ccn1)Cl.Cl M294457 Cc1ccc2cc3c4ccccc4ccc3c5c2c1CC5 M294460 [2H]C([2H])([2H])c1cccc(c1O)O M294467 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)Cl)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M294470 COc1ccc(cc1O)[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O M294480 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3Cl)[N+](=O)[O-] M294485 [2H]C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3Cl)[N+](=O)[O-] M294487 CNC(=O)SC[C@@H](C(=O)O)N M294490 [2H]C([2H])([2H])NC(=O)SC[C@@H](C(=O)O)N M294492 CNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N M294495 [2H]C([2H])([2H])NC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N M294497 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)OC)OC M294500 C[C@@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)Cl M294505 COc1cc(ccc1O)[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O M294510 Cc1ccc(cc1)/C=C/C(=O)N=[N+]=[N-] M294515 CCOC(=O)C1=C(OCCC1)C M294520 Cc1cc(cnc1)C2CCC(=O)N2C M294525 [2H]C([2H])([2H])N1C(CCC1=O)c2cc(cnc2)C M294527 COC(=O)c1ccc(=O)oc1 M294530 CC(=CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C)C M294535 CC(=CC(=O)NCC(=O)O)C M294540 [2H]C([2H])([2H])[C@@H](CC)C(=O)Cl M294547 COC(=O)C(C#N)c1ccccc1[N+](=O)[O-] M294550 COC(=O)CC(=O)CCl M294555 C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)Cl M294560 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4C)O M294565 CC(C)(C)NCC(c1ccc(c(c1)OC)O)O M294570 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)OC)O)O M294572 CN(CCCC#N)Cc1ccccc1 M294575 Cn1c2ccccc2c3c1cccc3OCC(CNCCOc4ccccc4OC)O.Cl M294580 [2H]C([2H])([2H])n1c2ccccc2c3c1cccc3OCC(CNCCOc4ccccc4OC)O.Cl M294582 CN(CCc1cccs1)Cc2ccccc2Cl.Cl M294585 CC(Cc1ccc(c(c1)OC)O)(C(=O)O)NN M294590 [2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])c1ccc(c(c1)OC)O)NN M294592 C[C@H]1CC[C@H](CC1)N M294595 C[C@@H]1CCC(C(=O)C1)S(=O)c2ccccc2 M294600 C[C@H]1CC[C@@H](CC1)OS(=O)(=O)C M294605 [2H]C([2H])([2H])[C@H](CC)C(=O)Cl M294612 CC1(CCCCC1)COc2ccc(cc2)N M294615 CNC/C=C/c1ccccc1.Cl M294620 [2H]C([2H])([2H])NC/C=C/c1ccccc1.Cl M294622 CC1(CCCCC1)COc2ccc(cc2)[N+](=O)[O-] M294625 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)OC M294630 [2H]C([2H])([2H])O[C@@]1([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H](C(=O)[C@@H]([C@H]1O)C)C)(C)OC)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)CC)C M294632 CC1=CCC(=O)CC1 M294635 CC1CCCC1N M294640 COC(=O)C(c1ccccc1)(C2CCCCC2)O M294645 COC(=O)C(c1ccccc1)(C2CCCC2)O M294650 [2H]C([2H])([2H])SC[C@@H](C(=O)O)N M294657 CO[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(nc2=O)N)CO)O M294660 C[C@]1([C@@H](O[C@@H](C1O)CO)n2ccc(nc2=O)N)O M294665 Cn1c(=N)ccn(c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.COS(=O)(=O)O M294670 [2H]C([2H])([2H])n1c(=N)ccn(c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.[2H]C([2H])([2H])OS(=O)(=O)O M294672 CN1C[C@@H]2C[C@H](C1)c3cccc(=O)n3C2 M294680 Cc1cnc(=O)[nH]c1N.Cl M294700 [13CH3]c1c[15n]c(=O)[15nH]c1N.Cl M294702 COC(=O)c1ccc(cc1)CC#N M294750 COC(=O)c1ccc(cc1)C#N M294770 C[C@H]1[C@H]([C@H](C[C@@H](O1)OC)N)O M294800 C[C@H]1[C@H]([C@H](C[C@H](O1)OC)N)O M295000 CC(C)CCCCCCCC=O M295150 [2H]C([2H])([2H])C([2H])(CCCCCCCC=O)C([2H])([2H])[2H] M295152 CC(C)CCCCCCCCO M295160 [2H]C([2H])([2H])C([2H])(CCCCCCCCO)C([2H])([2H])[2H] M295162 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C M295300 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CO)O)C)C M295350 CO[C@@]1(C[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)C(=O)O M295725 Cc1cn(c(=O)nc1N)[C@H]2C[C@H]([C@H](O2)CO)O M295900 [2H]C([2H])([2H])c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)O M295902 CC(Cc1ccc(cc1)OC)N(C)CC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O M295950 [2H]C([2H])([2H])N(CC(c1ccc(c(c1)NC=O)O)O)C(C)Cc2ccc(cc2)OC.C(=C/C(=O)O)\C(=O)O M295952 Cc1cc(ccc1OC)CC(C)NCC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O M295960 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@H](CC(O2)OC)OC(=O)c3ccc(cc3)C M296125 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4cc(n(c(=O)c4ncc3=O)C)SC)OC(=O)c5ccc(cc5)C M296185 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3c4cc(n(c(=O)c4ncc3=O)C)SC)OC(=O)c5ccc(cc5)C M296190 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4cc(n(c(=O)c4ncc3=O)C)SC)OC(=O)c5ccc(cc5)C M296195 CCOC(=O)/C=C/1\[C@@H]2[C@H](CO[C@@H]1OC)OC(O2)(C)C M296200 CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)O)O M296210 C[C@@H]1[C@H]2[C@@H]([C@H]([C@H](O1)OC)O)OC(O2)(C)C M296300 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OC)OCc2ccccc2)O M296500 C[C@@H]1[C@H]2[C@@H]([C@H]([C@H](O1)OC)OC)OC(O2)(C)C M296650 CN1CC([C@H]([C@@H](C1CO)O)O)O M297000 CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@@H](O1)SC)N2C(=O)c3ccccc3C2=O)OC(=O)C M297810 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N2C(=O)c3ccccc3C2=O M298000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C M298175 Cn1c(=O)c2c(nc1N)n(c(=O)cn2)[C@H]3CC([C@H](O3)CO)O M298205 COC1C[C@@H]([C@H](O1)CO)O M298215 Cc1ccc(cc1)S(=O)(=O)Oc2c(c(c(c3c2C(=O)OC3)C)O)C/C=C(\C)/CCC(=O)OC M298225 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C M298235 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C)([2H])[2H])O M298237 [2H][C@@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C)([2H])[2H])O M298242 CC(=O)OC[C@@H]1[C@@H](C=C[C@H](O1)OC)OC(=O)C M298300 COc1ccc(cc1OC)[13C](=O)OC M298357 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]([C@H]1OC(=O)C)C(=O)OC)OC(O2)(C)OC M298675 CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H]([C@@H](O1)OC)OC(=O)O2)OC(=O)C M299000 CO[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)c3ccccc3)OCC=C)OCC=C M299200 COC(=N)CCSCc1csc(n1)N=C(N)N M299525 COC(=N)CCSC[13c]1cs[13c](n1)N=[13C](N)N M299527 Cn1c2ccccc2c3ccccc3/c(=N/O)/c1=O M299700 CO[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)COC(O2)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 M299775 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)O)OCc3ccccc3)N4C(=O)c5ccccc5C4=O M300000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](COC(O3)c4ccccc4)O[C@@H]([C@@H]2OC(=O)c5ccccc5)OC)OC(=O)C)OC(=O)C)OC(=O)C M300070 CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O M300090 CO[C@@H]1C2[C@H]([C@H]3[C@H](O1)CO[C@H](O3)c4ccccc4)O[C@@H](O2)c5ccccc5 M300110 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OCc2ccccc2)O)OCc3ccccc3 M300990 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OCc2ccccc2)OCc3ccccc3)O M301000 C/C=C/c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 M301150 CC(=O)/C(=C/c1cccc(c1Cl)Cl)/C(=O)OC M301250 Cc1c(c(cc[n+]1[O-])Cl)Cl M301350 C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC)O)O M301500 CO[C@@H]1[C@H]([C@@H]2[C@@H]([C@H](O1)CN2C(=O)CCl)O)O M301550 CCN(CC)C(=S)SC M301700 [2H]C([2H])([2H])SC(=S)N(CC)CC M301702 CCN(CC)C(=S)S(=O)C M301710 CCN(CC)C(=O)SC M301730 CCN(CC)C(=O)S(=O)(=O)C M301750 CCN(CC)C(=O)S(=O)C M301780 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)OC M301850 CC(Cc1ccc(c(c1)O)O)C(=O)O M301950 CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2C(F)(F)F)C(=O)NCCc3ccc(c(c3)OC)OC M302025 CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2C(F)(F)F)C(=O)NCc3cc(cc(c3)OC)OC M302045 CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2C(F)(F)F)C(=O)NCc3ccccc3 M302125 CN1C=CCC(=C1)C(=O)N M302175 Cc1c(nc2ccccc2n1)CC(CO)O M302225 COC(=O)C(CCCCN=C=O)N=C=O M302280 CC(C)c1c(c(c(c(n1)C(C)C)C(=O)OC)c2ccc(cc2)F)COC M302350 CC(C)c1c(c(c(c(n1)C(C)C)C(=O)OC)c2ccc(cc2)F)CO M302365 CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)OC)O)O)c2ccc(cc2)F)CO M302375 COC(=O)/C=C/c1cc(ccc1O)O M302700 COC(=O)c1cc(ccc1O)C(=O)C(O)O M302720 COC(C(=O)CC(=O)OC)OC M302790 CC1=C(C(C(=C(N1)C)C(=O)OCc2ccc(c(c2)OC)OC)c3ccccc3C(F)(F)F)C(=O)OC M302825 COC(C(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=O)OC)OC M302850 COc1ccc(cc1OC)CCC(=O)OC M302865 COc1ccc(cc1OC)/C=C/C(=O)OC M302870 Cn1c2c3cccnc3ccc2nc1N(C)C M303000 c1cc(ccc1Cc2ccc(cc2)NNC3=CC(=O)CCC3)NNC4=CC(=O)CCC4 M303050 c1cc(ccc1Cc2ccc(cc2)NN)NN M303060 Cn1c2ccc3c(c2nc1N(C)C)cccn3 M303500 CN(CCc1ccc(cc1)N(S(=O)(=O)C)S(=O)(=O)C)CCOc2ccc(cc2)N(S(=O)(=O)C)S(=O)(=O)C M303562 CCNC(=O)C1=C(NC(=C(C1c2ccccc2C(F)(F)F)C(=O)OC)C)C M303610 [2H]C([2H])(CC1(OCCO1)C)C([2H])([2H])O M303627 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34C(=O)OC M303630 CC1(OCCO1)CCC(=O)O M303635 Cc1ccc(cn1)C2(OCCO2)C M303640 CC1(OCCO1)c2ccc(nc2)CCO M303645 [2H]C([2H])(c1ccc(cn1)C2(OCCO2)C)C([2H])([2H])O M303647 CC1(OCCO1)c2ccc(nc2)CCOc3ccc(cc3)C=O M303650 [2H]C([2H])(c1ccc(cn1)C2(OCCO2)C)C([2H])([2H])Oc3ccc(cc3)C=O M303652 CC(=O)OCCc1ccc(cn1)C2(OCCO2)C M303655 [2H]C([2H])(CC1(OCCO1)C)C(=O)OC M303662 CC1(OCCCO1)CCN M303665 CC1(OCCO1)c2ccc(nc2)CCOc3ccc(cc3)CC4C(=O)NC(=O)S4 M303670 [2H]C([2H])(c1ccc(cn1)C2(OCCO2)C)C([2H])([2H])Oc3ccc(cc3)CC4C(=O)NC(=O)S4 M303672 CC1(OCCO1)c2ccc(nc2)CCOc3ccc(cc3)/C=C\4/C(=O)NC(=O)S4 M303675 [2H]C([2H])(c1ccc(cn1)C2(OCCO2)C)C([2H])([2H])Oc3ccc(cc3)/C=C\4/C(=O)NC(=O)S4 M303677 COC(=O)C1CCC2(CC1)OCCO2 M303680 C[As](I)I M303685 [2H]C([2H])([2H])[As](I)I M303687 C[N+]1(CCC[C@H]1CO)N=C(c2ccccc2)c3ccccc3.[I-] M303690 [2H]C([2H])([2H])NC(=O)CC(c1ccccc1)c2ccccc2 M303707 [2H]C([2H])([2H])NCCC(c1ccccc1)c2ccccc2 M303712 COC(=O)C(c1cccs1)(c2cccs2)O M303765 CC1CSC(=O)S1 M303770 COC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] M303775 CC(C)CCCCCCCCCC=O M303780 [2H]C([2H])([2H])C([2H])(CCCCCCCCCC=O)C([2H])([2H])[2H] M303782 CC(C)CCCCCCCCCCO M303785 [2H]C([2H])([2H])C([2H])(CCCCCCCCCCO)C([2H])([2H])[2H] M303787 C[C@@](Cc1ccc(c(c1)O)O)(C(=O)O)N M303790 C[C@](Cc1ccc(c(c1)O)O)(C(=O)OC)N.Cl M303795 CC(Cc1ccc(c(c1)O)O)(C(=O)O)N M303800 [2H]C([2H])([2H])Oc1cc(ccc1O)CC(C(=O)O)N M303807 COc1cc(ccc1O)C[C@@H](C(=O)O)N.O M303815 COc1cc(ccc1O)C[C@@H](C(=O)OC)N M303820 [2H]C([2H])([2H])Oc1cc(ccc1O)C[C@@H](C(=O)OC)N M303822 CN[C@@H](Cc1ccc(c(c1)O)O)C(=O)O M303825 [2H]C([2H])([2H])N[C@@H](Cc1ccc(c(c1)O)O)C(=O)O M303827 C[C@](Cc1ccc(c(c1)OC)OC)(C(=O)O)N.Cl M303830 C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]3([C@@H]1[C@H]4[C@H](CC3)[C@]5(CCC(=O)C=C5[C@H]6[C@@H]4C6)C)C M303850 CN(C)CC[C@@H](c1cccs1)Oc2cccc3c2cccc3.C(=O)(C(=O)O)O M303880 [2H]c1c(c(c2c(c1[2H])c(c(c(c2O[C@@H](CCN(C)C)c3cccs3)[2H])[2H])[2H])[2H])[2H] M303882 CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C(=C)C4)C)C)(C(=O)C)OC(=O)C M303890 CC1CC1C#CC2(c3cc(ccc3NC(=O)O2)Cl)C(F)(F)F M303900 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OC M303905 CC(C)C1C(=C(NC(=N1)SC)c2ccc(cc2)F)C(=O)OC M303910 CC(C)c1c(c(nc(n1)NC)c2ccc(cc2)F)C(=O)OC M303915 CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OC M303920 CC(C)c1c(c(nc(n1)SC)c2ccc(cc2)F)C(=O)OC M303925 [2H]C([2H])([2H])[C@]12CCC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C M303932 c1c(c(cc2c1OCO2)O)Cc3cc4c(cc3O)OCO4 M303935 c1cc(ccc1[C@@H]2CCNC[C@H]2COc3cc4c(cc3Cc5cc6c(cc5OCC7CNCC[C@H]7c8ccc(cc8)F)OCO6)OCO4)F M303940 Cn1cnc2c1c(=O)n(c(=O)n2C)Cn3c(=O)c4c(ncn4C)n(c3=O)C M303945 Cc1nccn1CC2CCc3c(c4cc(ccc4n3C)Cc5ccc6c(c5)c7c(n6C)CCC(C7=O)Cn8ccnc8C)C2=O M303950 c1cc2c(cc1Cc3ccc4c(c3)c5c([nH]4)CCCC5=O)c6c([nH]2)CCCC6=O M303955 CC(C(=O)c1ccc2c(c1)OCO2)NC.Cl M303960 [2H]C([2H])([2H])NC(C)C(=O)c1ccc2c(c1)OCO2.Cl M303962 CC(Cc1ccc2c(c1)OCO2)N M303965 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc2c(c1)OCO2)N.Cl M303967 CC(C)(C)C(=O)/C=C/c1ccc2c(c1)OCO2 M303970 [2H]C([2H])([2H])C(C(=O)/C=C/c1ccc2c(c1)OCO2)(C([2H])([2H])[2H])C([2H])([2H])[2H] M303972 CCNC(C)Cc1ccc2c(c1)OCO2.Cl M303975 [2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1ccc2c(c1)OCO2.Cl M303977 CC(Cc1cccc2c1OCO2)NC.Cl M303980 [2H]C([2H])([2H])NC(C)Cc1cccc2c1OCO2.Cl M303982 CC(Cc1ccc2c(c1)OCO2)NC.Cl M303985 CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC M305350 C[C@H]1[C@H]([C@H]([C@@H](C(O1)OC)O)O)O M305400 Cc1ccc(o1)CO M305420 Cc1ccco1 M305440 [2H]C([2H])([2H])c1ccco1 M305441 [2H]c1c(n(c(n1)[2H])CC(=O)OC)[2H] M313052 Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F M313065 [2H]C([2H])([2H])c1cn(cn1)c2cc(cc(c2)N)C(F)(F)F M313067 Cn1cnc2c1cc(nc2)C(=O)O M313080 Cn1cnc2c1ccc3c2cccn3 M313125 Cc1c(n2ccsc2n1)C=O M313145 COC(=O)CCc1cnc[nH]1 M313185 Cn1cnc2c1ncc(c2)C#CCO M313200 CN(CCC#N)CCC#N M313235 Cc1ccc(c2c1CCC2)C(=O)c3cccc4c3cccc4 M313410 Cn1c2ccccc2c(n1)C(=O)O M313455 Cn1c(c2ccccc2n1)C(=O)O M313460 Cc1c[nH]c2c1cccc2 M313470 COC(=O)Cc1c[nH]c2c1cccc2 M313475 COC(=O)c1ccc2cc[nH]c2c1 M313480 COC(=O)c1ccc2c(c1)cc[nH]2 M313485 [2H]C([2H])([2H])C1Cc2ccccc2N1 M313492 COC(=O)C(=O)c1c[nH]c2c1cccc2 M313500 [2H]C([2H])([2H])[C@]1(C[C@H]2CC[C@]1(C2(C)C)C)O M314002 CN1CCC(=CC1)C2c3ccc(cc3CCc4c2nccc4)Cl M314300 [2H]C([2H])([2H])NC(C)Cc1ccc2c(c1)OCO2.Cl M303987 c1c2c(cc3c1OCO3)CC(C2)N M303990 c1cc2c(cc1CC(=O)O)OCO2 M303995 c1cc2c(cc1CCN)OCO2 M304000 CN/C(=C(\[N+](=O)[O-])/C/C(=C(\NCCSCc1oc(cc1)CN(C)C)/NC)/[N+](=O)[O-])/NCCSCc2oc(cc2)CN(C)C M304005 CCCC(=O)c1ccc2c(c1)OCO2 M304010 CCC(C(=O)c1ccc2c(c1)OCO2)N3CCCC3.Cl M304015 [2H]C1(C(C(N(C1([2H])[2H])C(CC)C(=O)c2ccc3c(c2)OCO3)([2H])[2H])([2H])[2H])[2H].Cl M304017 CC(C(=O)c1ccc2c(c1)OCO2)N3CCCC3.Cl M304020 [2H]C1(C(C(N(C1([2H])[2H])C(C)C(=O)c2ccc3c(c2)OCO3)([2H])[2H])([2H])[2H])[2H].Cl M304022 CC(=O)O.c1cc2c(cc1[C@H]([C@@H](C(=O)O)N)O)OCO2 M304025 CC(=O)O.c1cc2c(cc1[13C@@H]([13C@H](C(=O)O)[15NH2])O)OCO2 M304027 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=C)CC=C4[C@@]3(CC[C@@H](C4)O)C M304035 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=C)CCC4=CC(=O)CC[C@]34C M304040 CCC(=O)c1ccc2c(c1)OCO2 M304050 CNC1Cc2cc3c(cc2C1)OCO3 M304065 [2H]C([2H])([2H])NC1Cc2cc3c(cc2C1)OCO3 M304067 CCCC(C(=O)c1ccc2c(c1)OCO2)N3CCCC3.Cl M304080 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2ccc3c(c2)OCO3)([2H])[2H])([2H])[2H])[2H].Cl M304082 CN/C(=C\[N+](=O)[O-])/NCCSCSCCN/C(=C\[N+](=O)[O-])/NC M304100 [2H]C([2H])([2H])N/C(=C/[N+](=O)[O-])/NCCSCSCCN/C(=C/[N+](=O)[O-])/NC([2H])([2H])[2H] M304102 C=CC(=C)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[I-] M304105 CCCCC(=O)c1ccc2c(c1)OCO2 M304110 C(SC#N)SC#N M304115 CC(=C)[C@@H]1CCC(=C)C(C1)O M304120 C[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34 M304125 CC(=C)[C@@H]1CCC(=CC1)CS(=O)c2ccccc2 M304130 CC1(c2cc(ccc2N(C1=C)C)[N+](=O)[O-])C M304150 C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=C)C2=O)CCC4=CC(=O)C=C[C@]34C M304200 COc1ccc2c(c1)[C@]34CCCC[C@@H]3[C@H](C2=C)NCC4 M304215 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C)C4=CC(=O)CC[C@]34C)C)OC(=O)C M304220 CN(C)CCc1c[nH]c2c1c3c(cc2)CC4COC(=O)N4C3 M304225 C[C@H]([C@H](c1ccccc1)O)N(C)C.Cl M304250 [2H]C([2H])([2H])N(C)[C@H](C)[C@H](c1ccccc1)O.Cl M304252 CC12C(O1)C(c3c(c4ccccc4oc3=O)O2)c5ccccc5 M304400 CC(c1ccc(cc1)C2C(O2)(C)C)C(=O)O M304460 CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C.C(=C\C(=O)O)\C(=O)O M304600 [2H]C([2H])([2H])C([2H])([2H])[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C.C(=C\C(=O)O)\C(=O)O M304602 Cc1ccc(cc1C#C)Nc2c3cc(c(cc3ncn2)OCCOC)OCCOC M304630 C[C@](CO)([C@@H](COP(=O)(O)O)O)O M304650 [2H]C([2H])([2H])C(CO)([C@@H](COP(=O)(O)O)O)O M304652 Cc1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C M304665 [2H][C@]1([C@]2(CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)C)C)O M304667 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3cc(c(c4)O)C)C M304670 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4C)O)C M304675 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3c(ccc4C)O)C M304685 Cc1c(ccc2c1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O M304690 [2H]C([2H])([2H])c1c(ccc2c1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O M304692 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)OC M304695 [2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])OC)C)O M304702 [2H]C1C[C@]2([C@@H](CC[C@@H]2O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OC)C M304703 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OC M304705 [2H]C1C[C@]2([C@@H](CC[C@@H]2OC3CCCCO3)[C@H]4[C@H]1c5ccc(cc5C(C4([2H])[2H])([2H])[2H])OC)C M304707 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OC M304710 [2H]C1C[C@]2([C@@H](CCC2=O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OC)C M304712 C[C@]1\2CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC/C2=N\N)OC M304715 [2H]C1C[C@]\2([C@@H](CC/C2=N\N)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OC)C M304717 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC25OCCO5)OC M304720 CC(=O)OC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]4([C@H]3CC[C@]4(C)OC(=O)C)C M304725 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3)C M304735 CCOC(=O)C(C)(C)Cc1ccc(cc1)SSc2ccc(cc2)CC(C)(C)C(=O)OCC M304750 CC(C)OCCOCc1ccc(cc1)OCC2CO2 M304765 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)COCCOC(C)C)[2H] M304767 CCOc1cc(sn1)C(=O)OC.CCOc1cc(sn1)C(=O)OC M304780 CC/C=C(/OC(C)C)\O[Si](C)(C)C M304810 CCC(C(=O)c1ccccc1)N(C)CC.Cl M304850 [2H]C([2H])([2H])N(CC)C(CC)C(=O)c1ccccc1.Cl M304852 C[C@H](CCC(=O)OC)C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)O)O)C M304880 CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(CO)O)C M304890 CC(C)N(CC(COc1cccc2c1cc[nH]2)O)CC(COc3cccc4c3cc[nH]4)O M304895 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CC(COc1cccc2c1cc[nH]2)O)CC(COc3cccc4c3cc[nH]4)O M304897 CC(C)N(CC(COc1ccc(cc1)CCOC)O)CC(COc2ccc(cc2)CCOC)O M304900 CC(C)NC(=O)Oc1ccccc1 M304910 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)Oc1ccccc1 M304912 CC1(O[C@@H]2C(O1)[C@@H]([C@@H](O2)/C(=N/O)/COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)C M304930 CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1/C(=N/O)/COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(O2)(C)C M304935 CCc1ccc(nc1)C(=O)OC M304950 Cc1cc(cc2c1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(C#C)O)C)O M304960 Cc1c(ccc2c1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)O M304965 CC[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O M304970 Cc1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C M304975 [2H]C([2H])([2H])c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C M304977 CCc1cccc2c1n(c3c2CCOC3(CC)CC(=O)O)C M305000 Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)O M305220 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(=O)c3cccc(c3o2)C(=O)O)C)[2H])[2H] M305222 Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O M305225 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)F)O)O M305275 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)F)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M305285 CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3ccccc3.Cl M305310 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3ccccc3.Cl M305312 CN([C@H](CF)[C@@H](c1ccc(cc1)S(=O)(=O)C)O)C(=O)C(Cl)Cl M305330 [2H]C([2H])([2H])c1ccoc1 M305442 Cc1ccoc1 M305443 Cc1c(cco1)S M305450 C[C@H](c1ccco1)N M305460 Cc1c-2ccocc2oc1=O M305480 CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O M305500 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O M306500 CC1CN(CCN1C)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F M307500 [2H]C([2H])([2H])N1CCN(CC1C)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F M307502 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O M308500 CO[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O M309450 [2H]C([2H])([2H])O[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O M309452 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O M309500 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+] M311500 COC(=O)[C@@H]1[C@H](C([C@H](C(O1)O)O)O)O M311540 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O.[Na+] M311550 C[C@H](CC(=O)O)[C@@H](C(=O)O)N.Cl M311570 C[C@@H](CC(=O)O)[C@@H](C(=O)O)N.Cl M311573 C[C@H](C[C@@H](C(=O)O)N)C(=O)O M311575 C[C@@H](C[C@@H](C(=O)O)N)C(=O)O M311580 C[C@H](CC(=O)O)[C@@H](C(=O)O)N M311585 COC(=O)C=O M311620 CN(CC(=O)O)CP(=O)(O)O M311680 [2H]C([2H])([2H])NC(=N)N.Cl M311775 CNC(=N)N.Cl M311776 Cn1cnc2c1c(=O)[nH]c(n2)N M311790 COc1c2c(nc[nH]2)nc(n1)N M311800 [2H]C([2H])([2H])Oc1c2c(nc[nH]2)nc(n1)N M311802 C[C@@]1([C@@H](O[C@@H](C1O)CO)n2cnc3c2[nH]c(nc3=O)N)O M311820 CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2nc([nH]c3=O)N)CO)O M311825 COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O M311830 Cc1c2c(cc[n+]1C)c3ccc(cc3[nH]2)OC M311925 [2H]C([2H])([2H])Oc1ccc2c3cc[n+](c(c3[nH]c2c1)C)C M311927 CC(C)CCCCCO M311930 [2H]C([2H])([2H])C([2H])(CCCCCO)C([2H])([2H])[2H] M311932 [2H]C([2H])([2H])[C@H](CCCC)CC(=O)O M311937 CCCCCC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C M311940 CC(C)CCCCC=O M311945 [2H]C([2H])([2H])C([2H])(CCCCC=O)C([2H])([2H])[2H] M311947 [2H]C([2H])([2H])[C@H](CCCC)CC#N M311952 [2H]C([2H])([2H])[C@H](CCCC)CO M311957 CC(C)C/C=C/C(=O)O M311960 CCOC(=O)/C=C/CC(C)C M311965 CC(C)CCCCCCCCCCC[C@H]([C@H](CO)N)O M311970 Cc1ccc(cc1)C(=O)NCC(=O)O M311975 [2H]c1c(c(c(c(c1C(=O)NCC(=O)O)[2H])[2H])C([2H])([2H])[2H])[2H] M311977 Cc1ccccc1C(=O)NCC(=O)O M311980 [2H]C([2H])(C(=O)O)NC(=O)c1ccccc1C M311982 [2H]c1c(c(c(c(c1[2H])C(=O)NCC(=O)O)C([2H])([2H])[2H])[2H])[2H] M311983 Cc1cccc(c1)C(=O)NCC(=O)O M311985 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])[2H])C(=O)NCC(=O)O)[2H] M311987 C[C@H](Cc1c[nH]cn1)N M311990 CCCCCCCCCCCCCCCCNC M311995 CCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCC(C)C)OC(=O)[C@H](CC(C)C)NC=O M312000 Cn1cncc1CCN M312010 Cc1c(nc[nH]1)CCN M312015 Cn1cc(nc1)C[C@@H](C(=O)O)N M312050 [2H]c1c(ncn1C([2H])([2H])[2H])C[C@@]([2H])(C(=O)O)N M312052 CC(C)CCCCO M312080 [2H]C([2H])([2H])C([2H])(CCCCO)C([2H])([2H])[2H] M312082 C[C@@H]1C(=O)NC(=O)N1 M312100 C[C@H]1C(=O)NC(=O)N1 M312150 CNN.OS(=O)(=O)O M312300 [2H]C([2H])([2H])NN.OS(=O)(=O)O M312302 CC(C)CCCC=O M312380 [2H]C([2H])([2H])C([2H])(CCCC=O)C([2H])([2H])[2H] M312382 Cc1c2ccccc2c(nn1)NN M312495 Cc1c2ccccc2c(nn1)NN M312500 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)CO)O M312515 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)O M312517 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)C)O M312520 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O M312522 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O M312525 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)CCC(=O)O)O M312527 COC(=O)c1cccc(c1)O M312550 COC(=O)C1=C(c2ccccc2S(=O)(=O)N1)O M312590 COC(=O)/C=C/c1ccc(cc1)O M312595 CN(C)CC[C@@H](c1cccs1)Oc2ccc(c3c2cccc3)O M312600 C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC M312610 C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1CC[C@@H]2O)O)OC M312615 C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)O)OC M312620 [2H]C1([C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3OC4CCCCO4)C)c5ccc(cc5C1([2H])O)OC)[2H] M312622 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)CCO)/c3ccccc3 M312625 CC(CO)n1cnc2c1c(=O)[nH]c(n2)N M312630 [2H]C([2H])([2H])C([2H])(CO)n1cnc2c1c(=O)[nH]c(n2)N M312632 CC(CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N M312635 [2H]C([2H])([2H])C([2H])(CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N M312637 Cn1c2ccc3c(c2nc1O)cccn3 M312675 COC(=O)c1c(c2ccccc2[nH]1)O M312680 COC(=O)c1cc(ns1)O M312690 COC(=O)c1cc(no1)O M312700 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C M312755 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C M312760 CNO.Cl M312780 CC(C)CC(c1ccccc1N2CCCC(C2)OCOC)N M312800 CC(C)CC(=N)c1ccccc1N2CCCC(C2)OCOC M312805 COc1ccc(cc1O)/C=C/C(=O)OC M312810 COc1ccc(cc1O)CCC(=O)OC M312820 COc1ccc(c(c1)C(=O)CC(=O)OC)O M312825 Cc1ccc(c(c1)C(=O)CC(=O)OC)O M312830 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)OC M312845 [2H]C([2H])([2H])N1C(=C(c2ccccc2S1(=O)=O)O)C(=O)OC M312847 CN1C[C@H]([C@@H](C1)c2cc(ccc2Br)Cl)c3ccccc3O M312855 CN1CCC(CC1)(c2ccccc2)O M312865 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2)C)O)[2H])[2H] M312867 [2H]C1(CC(CC(N1C)([2H])[2H])O)[2H] M312872 CC(C)(Cc1ccc(cc1)C(=C)C(=O)O)O M312880 CC1CC(n2c(=O)c3c(nc2N1)n(cn3)[C@H]4CC([C@H](O4)CO)O)O M312890 CC1CC([15n]2c(=O)c3c(n[13c]2[15NH]1)n(cn3)[C@H]4CC([C@H](O4)CO)O)O M312892 CN1C(=O)C[C@@H](C1=O)O M312895 CN(C(=O)N)O M312915 C[C@H]1C=CC2=C[C@@H](C[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(O3)OC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C M312925 CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O M312930 c1cc(ccc1C#N)C(c2ccc(cc2)C#N)c3ccc(cc3)C#N M312950 Cn1ccnc1 M312980 [2H]C([2H])([2H])n1ccnc1 M312982 Cc1[nH]ccn1 M312985 [2H]c1c(nc([nH]1)C([2H])([2H])[2H])[2H] M312987 Cc1c[nH]cn1 M312990 [2H]C([2H])([2H])c1c[nH]cn1 M312992 Cn1ccnc1C(=O)O M313000 Cc1[nH]c(cn1)C(=O)O M313010 Cc1[nH]c(cn1)S(=O)(=O)O M313020 CN1CCNC1=O M313030 [2H]C([2H])([2H])N1CCNC1=O M313032 Cc1ccc(cc1)C(C(C)NC(C)C)O.Cl M314500 CC1(O[C@H]2CO[C@@H]([C@@H]([C@H]2O1)O)OC)C M314530 Cc1ccc(cc1)C(CNC(C)C)O.Cl M314550 CC(C)[C@H]1C(=O)N(C(=O)N1)C M314555 CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)COCc3ccccc3)C M314560 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O)OC)CO)C M314570 CC1(O[C@@H]([C@H](O1)[C@@H](C(=O)OC)O)CO)C M314580 CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@H](O2)OC)O)O)C M314590 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)OC)OC)CO)C M314595 CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)OC)CO)C M314600 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)OC)OC)COC(c3ccccc3)(c4ccccc4)c5ccccc5)C M314620 CC1(O[C@H]2CO[C@@H](C(=O)[C@H]2O1)OC)C M314650 C[C@@]12[C@@H](C(OC1=O)CO)OC(O2)(C)C M314680 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)OC)OC(O3)(C)C M314700 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O)OC)COC(c3ccccc3)(c4ccccc4)c5ccccc5)C M314730 Cc1cc(n[nH]1)c2ccc(cc2)C(C)C M314775 CC(C)c1nc(cs1)CNC.Cl M314835 [2H]C([2H])([2H])C(c1nc(cs1)CNC)C([2H])([2H])[2H].Cl M314837 CC(C)c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)O M314850 [2H]C([2H])([2H])C(c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)O)C([2H])([2H])[2H] M314852 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)OC M314865 [2H]C([2H])([2H])C(c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)OC)C([2H])([2H])[2H] M314867 Cc1cncc2c1cccc2 M314925 Cn1c(=O)ccs1.Cl M314940 [2H]C([2H])([2H])n1c(=O)ccs1.Cl M314942 CS[13C](=[15NH])[15NH2] M314962 COC(=O)c1cc(cc(n1)C(=O)OC)CSC(=N)N.Br M314975 Cc1ccc(cc1)S(=O)(=O)O.COC(=N)N M314980 Cc1c(con1)C(=O)O M314990 Cc1c(cno1)C(=O)O M315000 Cc1cc(ccc1[N+](=O)[O-])N M323580 CNc1cc(ccc1N)[N+](=O)[O-] M323590 [2H]C([2H])([2H])Nc1cc(ccc1N)[N+](=O)[O-] M323592 B(F)(F)F.Cc1cc(ccc1[N+](=O)[O-])[N+]#N.[F-] M323610 Cc1ccc(cc1S(=O)(=O)Cl)[N+](=O)[O-] M323620 CCOC(=O)CCCc1nc2cc(ccc2n1C)[N+](=O)[O-] M323645 [2H]C([2H])([2H])n1c2ccc(cc2nc1CCCC(=O)OCC)[N+](=O)[O-] M323647 Cc1ccc(cc1C(=O)O)[N+](=O)[O-] M323685 Cc1ccc(cc1C(=O)c2ccccc2)[N+](=O)[O-] M323690 Cc1ccc(cc1C(=O)Cl)[N+](=O)[O-] M323710 Cc1cc(ccc1[N+](=O)[O-])c2ccccc2 M323720 Cc1cc(no1)C(=O)N/N=C/c2ccccc2 M315020 Cc1cc(no1)C(=O)NN M315035 COC(=O)C1CCCCC1=O M315040 COC(=O)C1CCC(=O)CC1 M315045 C[C@H](CCC(=O)OC)[C@H]1CCC2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C M315050 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OC M315065 [2H]C1([C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3OC4CCCCO4)C)c5ccc(cc5C1=O)OC)[2H] M315067 Cc1ccc(cc1)C(=O)c2cccc(c2)C(C)C(=O)O M315080 [2H]C([2H])([2H])C(c1cccc(c1)C(=O)c2ccc(cc2)C)C(=O)O M315082 CCCCCCC(=O)CCCCCCCCCCC(=O)OC M315090 CCOC(=O)[C@H](C)OC M315250 CO[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)CO)O)O M315300 [2H]C([2H])([2H])O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)CO)O)O M315302 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O M315475 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M315500 Cc1cnc-2c(=O)[nH]c(=O)nc2[nH]1 M315800 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCNCC4)O M316500 COC(=O)CC(C(=O)O)SP(=S)(OC)OC M316725 COC(=O)C(CC(=O)O)SP(=S)(OC)OC M316730 COC(=O)[C@H](c1ccccc1)O M317450 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O M317500 CC(C)O.CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O M318500 CC1=CC(=O)N(C1=O)CCC(=O)ON2C(=O)CCC2=O M318850 CC(C(=O)O)C(=O)O M318860 [2H]C([2H])([2H])C(C(=O)O)C(=O)O M318862 CC(C(=O)O)C(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] M318900 [2H]C([2H])([2H])C(C(=O)O)C(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] M318902 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+] M319250 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O M319980 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O M320000 [2H]C([2H])([2H])[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)C([2H])([2H])[2H].[I-] M320042 CC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 M320050 CCCC(C)C(c1ccc(cc1)O)C(C)C M320100 [2H]C([2H])([2H])C(C(c1ccc(cc1)O)C(C)CCC)C([2H])([2H])[2H] M320102 Cn1c2ccc(cc2nc1NC(=O)OC)C(=O)c3ccccc3 M320150 Cc1ccc(cc1)C(=O)c2ccc3c(c2)nc([nH]3)NC(=O)OC M320155 C[C@@H]1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=CC1=O)C)CC[C@@]4(C(=O)C)OC(=O)C)C)C M320240 C[C@H]1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=CC1=O)C)CC[C@@]4(C(=O)C)OC(=O)C)C)C M320245 CC1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=CC1=O)C)CC[C@@]4(C(=O)C)OC(=O)C)C)C M320250 CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C(=C4)C)C)C)(C(=O)C)OC(=O)C M320260 CSc1c2c(nc[nH]2)ncn1 M320270 [2H]C([2H])([2H])Sc1c2c(nc[nH]2)ncn1 M320272 CC[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC M320275 CCCCCn1c(c(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC)C M320280 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1c(c(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC)C M320282 CCC[C@@H]1C[C@H](N(C1)C)C(=O)O.Cl M320285 CCC[C@@H]1C[C@H](N(C1)C)C(=O)OC M320290 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)OC)CCC M320292 CC(C)(C)c1c(=O)n(c(nn1)SC)NC M320295 [2H]C([2H])([2H])Nn1c(=O)c(nnc1SC)C(C)(C)C M320297 CCCc1cc(nn1C)C(=O)O M320305 Cc1ccccc1C(=O)C(C)NC.Cl M320315 [2H]C([2H])([2H])NC(C)C(=O)c1ccccc1C.Cl M320317 Cc1cccc(c1)C(=O)C(C)NC.Cl M320320 [2H]C([2H])([2H])NC(C)C(=O)c1cccc(c1)C.Cl M320322 CCCc1c(c(nn1C)C(=O)O)[N+](=O)[O-] M320325 CCCc1c(c(nn1C)C(=O)N)[N+](=O)[O-] M320330 CN1CCC[C@@H]2[C@H]1CN(C2)c3c(cc4c(c3OC)n(cc(c4=O)C(=O)O)C5CC5)F.Cl M320335 CN(CCCC(c1cccnc1)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] M320345 C[N+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC6CC6.[Br-] M320350 [2H]C([2H])([2H])[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC6CC6.[Br-] M320352 CC(Cc1cccnc1)N(C)C(=O)C[Si](C)(C)C M320355 Cc1cccc(n1)/C=C/c2cccc(c2)OC M320360 CC(Cc1cccnc1)N(C)C(=O)C M320365 Cc1ccc(cc1)C(=O)Nc2ccc(cn2)C M320370 [2H]c1c(c(nc(c1C([2H])([2H])[2H])[2H])NC(=O)c2ccc(cc2)C)[2H] M320372 Cc1c2ccc(cc2ccc1C(C)C(=O)O)OC M320390 C[C@H](c1ccc(cc1)[N+](=O)[O-])N M320410 CC[C@]1(C(=O)N(C(=O)N1C)C)c2ccccc2 M320475 Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)OC M320480 COc1ccc2cc(ccc2c1)CC(=O)OC M320485 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)CC(=O)OC([2H])([2H])[2H] M320487 [2H]C([2H])([2H])n1cccc1C(=O)c2ccc(cc2)C M320492 COC(=O)[C@]1(C[C@H]([C@@H]([C@H](O1)CO)O)O)OC M320495 COC(=O)[C@]1(C[C@H]([C@@H]([C@H](O1)COP(=O)(Oc2ccccc2)Oc3ccccc3)O)O)OC M320500 COC(=O)[C@]1(C[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OC M320505 Cc1ccc(cn1)C(=O)CC(=O)OC M320508 Cc1cc(oc(=O)c1)C=C(C)C M320510 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC2 M320515 CN1C(CC(O1)C(=O)OC)c2cc(cnc2)C(=O)OC M320520 C[C@H]1COCCN1 M320525 CCCc1c(c(n(n1)C)C(=O)O)[N+](=O)[O-] M320530 CCCc1c(c(n(n1)C)C(=O)N)[N+](=O)[O-] M320535 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O)C(=O)OC2 M320540 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)OC([2H])([2H])[2H])O)C(=O)OC2)C M320542 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC)C(=O)OC2 M320545 [2H]C([2H])([2H])Oc1c(c(c(c2c1C(=O)OC2)C)OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3 M320547 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CCC(C)C)NC=O M320550 CNc1ccc2ccncc2c1[N+](=O)[O-] M320555 [2H]C([2H])([2H])NCc1cccc2c1cccc2 M320562 CNc1ccc2cnccc2c1[N+](=O)[O-] M320565 Cc1cncc2c1c(ccc2)[N+](=O)[O-] M320570 CCCC1(COC(=O)OC1)C M320575 [2H]C([2H])([2H])C1(COC(=O)OC1)CCC M320577 CCCc1ccc(cc1)C(C)C(=O)O M320580 CC1C(CCN1Cc2ccccc2)N M320585 CCCC(C)(CO)CO M320590 [2H]C([2H])([2H])C(CCC)(CO)CO M320592 CC(C)(C)OC(=O)[C@@H]1CN(C(=O)N1)C M320595 [2H]C([2H])([2H])N1C[C@H](NC1=O)C(=O)OC(C)(C)C M320597 CNS(=O)(=O)/C=C/c1ccc2c(c1)ccn2Cc3ccccc3 M320600 CNS(=O)(=O)CCc1ccc2c(c1)c(cn2Cc3ccccc3)C4=CCN(CC4)C M320605 Cc1nnc(o1)C(=O)[O-].[K+] M320610 Cc1ccc(cc1)C2(C(=O)NC(=O)N2)c3ccccc3 M320615 CS(=N)(=O)c1ccccc1 M320620 C[C@H]1[C@@H](OC(=O)N1)c2ccccc2 M320625 CC1=CC(c2c(c3ccccc3oc2=O)O1)c4ccccc4 M320630 Cc1ccc(cc1)C(=O)CC(=O)C(F)(F)F M320635 CN1CCN(C(C1)c2ccccc2)c3c(cccn3)CO M320640 C[C@H]1CN(CC[C@H]1Nc2ccccc2)Cc3ccccc3 M320645 C[N+]1(CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl)C.C(=C\C(=O)[O-])\C(=O)O M320650 CCCc1cc(n(n1)C)C(=O)O M320655 CC1c2ccccc2NC1=O M320660 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CNCC(=O)OC M320665 C[C@@H]1CCC(C(=O)C1)Sc2ccccc2 M320670 Cc1cccc(c1)Nc2ccncc2S(=O)(=O)N M320675 Cc1cc[nH]n1 M320680 CCOC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(c2)CO M320685 Cc1c(cccc1C(=O)OC)c2ccccc2 M320690 [2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)C(=O)OC)[2H])[2H] M320692 C[n+]1c2ccccc2sc1/C=C/Nc3ccccc3.COS(=O)(=O)[O-] M320695 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 M320700 CN1CCCCC1CCO M320705 [2H]C([2H])([2H])N1CCCCC1CCO M320707 COC(=O)c1ccccc1S M320710 Cc1cccnc1N2CCN(CC2c3ccccc3)C M320720 COC(=O)c1cccc(c1)S M320730 COC(=O)c1ccc(cc1)S M320750 CC(C)(C(=O)OC)S M321000 CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O M321035 CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)c3cc[n+](cc3)C.[Cl-] M321050 C[N+]1(CCOCC1)[O-] M321055 Cn1c2ccccc2c3c1ccc(c3)OCC4CO4 M321060 [2H]C([2H])([2H])n1c2ccccc2c3c1ccc(c3)OCC4CO4 M321062 COc1ccc2cccc(c2c1)C=O M321070 [2H]C([2H])([2H])Oc1ccc2cccc(c2c1)C=O M321072 Cc1ccc(c2c1cccc2)C(=O)O M321090 Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)OC M321150 [2H]C([2H])([2H])OC1=C(N(S(=O)(=O)c2c1cccc2)C)C(=O)Nc3ncc(s3)C M321152 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C M321200 CNCC/C=C/c1cccnc1 M321250 [2H]C([2H])([2H])NCC/C=C/c1cccnc1 M321255 CSS(=O)(=O)C M321500 CS(=O)(=O)S[13CH3] M321502 [2H]C([2H])([2H])SS(=O)(=O)C M321503 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)O M321872 COc1ccc(cc1)[13C](=O)OC M321882 CC(Cc1ccc(cc1)OC)NC M321895 [2H]C([2H])([2H])NC(C)Cc1ccc(cc1)OC M321897 CC(C)(COCc1ccc(cc1)OC)O M322040 CC(C)(COCc1ccc(cc1)OC)OC(=O)Oc2ccc(cc2)[N+](=O)[O-] M322065 Cc1cnc2ccc(c(c2n1)N)NC M322375 Cc1ccc(cc1)/C(=C(/C)\NC)/NC.Cl M322390 Cc1cnc2ccc(c(c2n1)[N+](=O)[O-])NC M322405 [2H]C([2H])([2H])Nc1ccc2c(c1[N+](=O)[O-])nc(cn2)C M322407 CNc1nc2ccc3c(c2n1C)cccn3 M322500 Cc1ccoc1C(=O)OC M322650 CO[C@H]1[C@@H]([C@H](C(O[C@@H]1C(=O)OC)O)O)O M322800 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OC M322900 CNc1nc2c3cccnc3ccc2n1C M323000 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)C(=O)OC2 M323003 Cc1cc(cnc1)C(=O)OC M323005 Cc1ccc(cn1)C(=O)OC M323006 Cc1ccc(c(c1)C(=O)OC)/N=C/2\CCCN2c3ccccc3 M323010 COC(=O)c1ccc(cc1)SC M323015 CN/C(=C/[N+](=O)[O-])/SC M323020 [2H]C([2H])([2H])N/C(=C\[N+](=O)[O-])/SC M323022 Cc1c(cccn1)C(=O)OC M323025 Cn1c(=O)c2c([n-]c(=O)cn2)nc1SC.[Na+] M323030 Cc1c(=O)[nH]c2c(n1)c(=O)[nH]c(n2)SC M323035 Cc1c(=O)[n-]c2c(n1)c(=O)[n-]c(n2)SC.[Na+].[Na+] M323040 CC(=C)C(=O)c1ccc(cc1)S(=O)(=O)C M323045 CC(C)C(=O)c1ccc(cc1)S(=O)(=O)C M323050 COC(=O)CN1CCOCC1 M323055 C.CN1CCO[C@H](C1)CN M323060 [2H]C([2H])([2H])N1CCO[C@H](C1)CN.C M323062 CC(C)(C)OC(=O)N(C)S(=O)(=O)C M323065 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)OC)C(=O)OC2 M323075 [2H]C([2H])([2H])c1c(c(c(c2c1C(=O)OC2)C)OC([2H])([2H])[2H])C/C=C(\C)/CCC(=O)OC([2H])([2H])[2H] M323077 Cc1c(cccn1)C2=NCCC2 M323090 Cc1cc(cnc1)C2=NCCC2 M323100 Cc1ccc(cn1)C2=NCCC2 M323105 [13CH3][13c]1[13cH][13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1 M323132 CNCc1cccc2c1cccc2 M323140 CNCc1ccc2ccccc2c1 M323145 [2H]C([2H])([2H])NCc1ccc2ccccc2c1 M323147 [2H]C([2H])([2H])N(Cc1cccc2c1cccc2)Cc3cccc4c3cccc4.Cl M323152 Cc1ccc2c(c1)C(=O)C=CC2=O M323160 CC1(c2ccccc2C(=O)O1)c3ccc4ccccc4c3 M323175 CO[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O M323200 COC(=O)[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)N)O)OC M323210 Cc1ccc(cn1)C(=O)N M323225 C[n+]1cccc(c1)C(=O)N.[I-] M323235 C[n+]1cccc(c1)C(=O)N.CS(=O)(=O)O[O-] M323238 C[n+]1cccc(c1)C(=O)N.CS(=O)(=O)O[O-] M323245 Cc1cc(cnc1)C2CCCN2C M323250 [2H]C([2H])([2H])N1CCCC1c2cc(cnc2)C M323252 Cc1ccc(cn1)C2CCCN2C M323255 C[n+]1cccc(c1)[C@H]2CCCN2C.[I-2] M323275 [2H]C([2H])([2H])[n+]1cccc(c1)[C@@H]2CCCN2C.[I-] M323277 C[N+]1(CCCC1c2cccnc2)C.[I-] M323280 [2H]C([2H])([2H])[N+]1(CCC[C@H]1c2cccnc2)C.[I-] M323282 CN1CCC(C1)C(c2cccnc2)O M323310 Cc1cnccc1C(=O)O M323315 [2H]c1c(nc(c(c1C(=O)O)C([2H])([2H])[2H])[2H])[2H] M323317 Cc1c(cccn1)C(=O)O M323320 Cc1ccc(cn1)C(=O)O M323330 COC(=O)c1ccncc1 M323340 CN1CCCC(C1=O)C(=O)c2cccnc2 M323350 CN1CCC(C1)C(=O)c2cccnc2 M323400 CN1CCC(C1=O)C(=O)c2cccnc2 M323430 [2H]C([2H])([2H])N1CCC(C1=O)C(=O)c2cccnc2 M323432 CNC(=O)C[N+](=O)[O-] M323440 [2H]C([2H])([2H])NC(=O)C[N+](=O)[O-] M323442 Cc1ccc(c(c1)[N+](=O)[O-])N M323450 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[N+](=O)[O-])N)[2H] M323452 Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C M323540 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[N+](=O)[O-])NC(=O)C)[2H] M323542 Cc1cc(ccc1N)[N+](=O)[O-] M323545 [2H]C([2H])([2H])c1cc(ccc1N)[N+](=O)[O-] M323547 Cc1cc(ccc1[N+](=O)[O-])NC(=O)C M323550 CNc1ccccc1[N+](=O)[O-] M323555 [2H]C([2H])([2H])Nc1ccccc1[N+](=O)[O-] M323557 Cc1cccc(c1N)[N+](=O)[O-] M323560 [2H]C([2H])([2H])c1cccc(c1N)[N+](=O)[O-] M323562 Cc1cc(ccc1OC)[N+](=O)[O-] M323565 Cc1ccc(cc1[N+](=O)[O-])OC M323570 COC(=O)c1cc2cc(cnc2[nH]1)[N+](=O)[O-] M323575 Cc1cc(c(cc1[N+](=O)[O-])O)O M323730 CC(C)(C1CC(=O)OC1)[N+](=O)[O-] M323740 Cn1cnc(c1C(=O)O)[N+](=O)[O-] M323748 Cn1c2ccc3c(c2nc1[N+](=O)[O-])cccn3 M323750 Cn1cncc1[N+](=O)[O-] M323760 Cc1[nH]c(cn1)[N+](=O)[O-] M323765 Cc1c[nH]nc1[N+](=O)[O-] M323775 Cn1c2ccc3c(c2n[14c]1[N+](=O)[O-])cccn3 M323780 CCOC(=O)CC(CC(C)C)C[N+](=O)[O-] M324440 CCCCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] M324450 [2H]C([2H])([2H])/C(=C(\CCCCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] M324452 CCCCCCCCC1=C(C(=O)OC1=O)C M324460 [2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCCCC M324462 Cc1cnc(c(c1OC)C)CS(=O)c2nc3ccc(cc3n2C)OC.Cc1cnc(c(c1OC)C)CS(=O)c2nc3cc(ccc3n2C)OC M324500 CN(CCCC(=O)c1ccc(nc1)O)N=O M325758 CN(CCCC(=O)c1ccc[n+](c1)[O-])N=O M325760 CN(C(CCC(=O)OC)c1cccnc1)N=O M325765 CN(CCCC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N=O M325770 CC(C)CC[C@@H](C(=O)O)N M325775 CN(CCCC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)N=O M325780 Cc1cccc(c1)Nc2ccccc2S(=O)(=O)N.Cl M325785 CC(C)/C=C/CCCCC(=O)O M325790 C/C(=C/[O-])/C(=O)C.[Na+] M325795 [2H]C([2H])([2H])N1CCN(CC1)N=O M325802 CN(CCCCC(c1cccnc1)O)N=O M325805 CN(CCCCC(=O)c1cccnc1)N=O M325810 C[n+]1cccc(c1)[C@@H]2CCCN2N=O.[I-] M325813 CN(C(=O)N)N=O M325815 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccccc2C(=O)Nc3ncc(s3)[N+](=O)[O-])C(=O)OC)OC(=O)C M325820 [2H]C([2H])([2H])C(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C([2H])([2H])[2H])O[Si](C)(C)C M325827 Cc1c(cccn1)C2CCCN2 M325828 Cc1cc(cnc1)C2CCCN2 M325830 Cc1ccc(cn1)C2CCCN2 M325833 Cc1nc(co1)C=O M325835 [2H]C([2H])([2H])OC(=O)CC(=O)C M325837 CCCCCCCC(=O)CC(=O)OC M325840 CC1(COS(=O)O1)C(=O)OC M325845 [2H]C([2H])([2H])n1c2ccc(cc2nc1S(=O)Cc3c(c(c(cn3)C)OC)C)OC.[2H]C([2H])([2H])n1c2cc(ccc2nc1S(=O)Cc3c(c(c(cn3)C)OC)C)OC M324502 Cc1cccc(c1[N+](=O)[O-])O M324650 C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CSc5ccccc5 M324800 CN1CCCCC1CCl M324810 [2H]C([2H])([2H])N1CCCCC1C([2H])([2H])Cl M324812 [2H]C([2H])([2H])N1CCCCC1C([2H])([2H])O M324822 CC(C1CCCCN1)O M324830 CN1CCC(CC1)c2c[nH]c3c2cccc3 M324850 CN1CCCCC1Cn2ccc3c2cccc3 M324860 [2H]C([2H])([2H])N1CCCCC1C([2H])([2H])n2ccc3c2cccc3 M324862 Cc1ccc(cc1[N+](=O)[O-])NC(=O)c2ccc(cc2)CCl M325175 CNc1ccc(cc1N)[N+](=O)[O-] M325335 [2H]C([2H])([2H])Nc1ccc(cc1N)[N+](=O)[O-] M325337 Cc1cc(ccc1NS(=O)(=O)c2cc(ccc2Cl)Cl)[N+](=O)[O-] M325350 CN(CCc1ccc(cc1)[N+](=O)[O-])CCOc2ccc(cc2)[N+](=O)[O-] M325380 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[N+](=O)[O-])N(C)CCc2ccc(cc2)[N+](=O)[O-] M325382 Cc1cc(ccc1NC(=N)N)[N+](=O)[O-].[N+](=O)(O)[O-] M325400 Cn1c2cc(cnc2nc1[N+](=O)[O-])c3ccccc3 M325450 [2H]C([2H])([2H])n1c2cc(cnc2nc1[N+](=O)[O-])c3ccccc3 M325460 CC(CCc1ccccc1)N M325470 Cc1ccc2cnncc2c1 M325485 Cc1ccc(cc1[N+](=O)[O-])NC(=O)c2ccc(cc2)CN3CCN(CC3)C M325525 CC(C)CCC=O M325550 [2H]C([2H])([2H])C([2H])(CCC=O)C([2H])([2H])[2H] M325552 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)[N+](=O)[O-] M325585 Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)[N+](=O)[O-] M325590 Cc1ccc(cc1N(c2nccc(n2)c3cccnc3)C(=O)OC(C)(C)C)[N+](=O)[O-] M325595 CC(C)CCCCCCC=O M325610 [2H]C([2H])([2H])C([2H])(CCCCCCC=O)C([2H])([2H])[2H] M325612 CC(C)CCCCCCCO M325615 [2H]C([2H])([2H])C([2H])(CCCCCCCO)C([2H])([2H])[2H] M325617 CC(C)(CO)N[N+](=O)[O-] M325620 [2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])N[N+](=O)[O-] M325622 Cc1cc(ccn1)[N+](=O)[O-] M325625 Cc1cc(cc[n+]1[O-])[N+](=O)[O-] M325630 CNS(=O)(=O)CCc1ccc2c(c1)ccn2Cc3ccccc3 M325635 CCCn1c(=O)c2c(ncn2CCCCC(=O)C)n(c1=O)C M325640 C[C@H]1[C@@H](C(=O)N1)NC(=O)OC(C)(C)C M325645 CN(C(CCC=O)c1cccnc1)N=O M325650 [2H]C([2H])([2H])N(C(CCC=O)c1cccnc1)N=O M325652 CC(C)CCCCCCO M325655 [2H]C([2H])([2H])C([2H])(CCCCCCO)C([2H])([2H])[2H] M325657 COC(=O)c1ccc(cc1)O M325660 [2H]C([2H])([2H])OC(=O)c1ccc(cc1)O M325662 [2H]c1c(c(c(c(c1C(=O)OC)[2H])[2H])O)[2H] M325663 COC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl M325670 COC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl M325671 [2H][C@@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)OC.Cl M325672 [2H][C@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)OC.Cl M325673 COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2.Cl M325675 COC(=O)[C@H](c1ccccc1)[C@@H]2CCCCN2.Cl M325676 COC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl M325680 COC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl M325681 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)OC)O4)OC)O M325685 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)OC)O4)OC)O M325687 CNCCCc1ccccc1 M325690 [2H]C([2H])([2H])NCCCc1ccccc1 M325692 Cc1ccc(cc1)S(=O)(=O)OCCc2cccc3c2CC(=O)N3 M325695 CN(C(CCCO)c1cccnc1)N=O M325700 [2H]C([2H])([2H])N(C(CCCO)c1cccnc1)N=O M325702 Cc1cncc(n1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N M325705 CN(CCC=O)N=O M325710 [2H]C([2H])([2H])N(C([2H])([2H])CC=O)N=O M325712 CN(CCC#N)N=O M325715 [2H]C([2H])([2H])N(CCC#N)N=O M325717 CN(CCCC(c1cccnc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N=O M325720 [2H]C([2H])([2H])N(C([2H])([2H])CCC(c1cccnc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N=O M325722 CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C M325725 CCCCCCCCc1ccc(cc1)CCC2(COC(=N2)C)COP(=O)(O)O M325730 CN(CCCC(c1ccc(nc1)C(=O)O)O)N=O M325735 CN(CCCC(c1cccnc1)O)N=O M325740 CN(CCC[13CH]([13c]1[13cH][13cH][13cH]n[13cH]1)O)N=O M325741 [2H]C([2H])([2H])N(CCCC(c1cccnc1)O)N=O M325742 [2H]C([2H])([2H])N(C([2H])([2H])CCC(c1cccnc1)O)N=O M325743 CN(CCCC(c1ccc[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O)N=O M325745 [2H]C([2H])([2H])N(CCCC(c1ccc[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O)N=O M325747 CN(CCC[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1)N=O M325749 CN(CCCC(=O)c1cccnc1)N=O M325750 [2H]c1c(c(c(nc1[2H])[2H])C(=O)CCCN(C)N=O)[2H] M325751 [2H]C([2H])([2H])N(CCCC(=O)c1cccnc1)N=O M325752 CN(C(CCC(=O)O)c1cccnc1)N=O M325753 [2H]C([2H])([2H])N(C(CCC(=O)O)c1cccnc1)N=O M325754 CO[13C](=O)CCC[13C](=O)[13CH3] M325847 COC(=O)CCCCC=O M325850 CCOC(=O)C1=C(NC(=O)NC1c2ccccc2)C M325853 CNC(=O)CCC(=O)c1cccnc1 M325855 [2H]C([2H])([2H])C(C1CCCCC1=O)(C(=O)OCC)C(=O)OCC M325862 CCCCCCCCCCCC(=O)CC(=O)OC M325865 Cn1c2ccc(cc2nc1S(=O)Cc3c(c(ccn3)OC)OC)OC(F)F M325866 [2H]C([2H])([2H])n1c2ccc(cc2nc1S(=O)Cc3c(c(ccn3)OC)OC)OC(F)F M325867 CN1CC[C@H]([C@@H](C1)COc2ccc3c(c2)OCO3)c4ccc(cc4)F M325870 CC(=O)OC[C@@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M325875 CCCCCN(C)CCC(=O)O.Cl M325876 [2H]C([2H])([2H])N(CCCCC)CCC(=O)O.Cl M325878 CC(CC(=O)O)(c1ccccc1)C(=O)O M326105 [2H]c1c(c(c(c(c1[2H])[2H])C(C)(CC(=O)O)C(=O)O)[2H])[2H] M326107 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C=O M326110 Cc1ncc(cn1)O M326115 CN1CCCC1=O M326120 [2H]C([2H])([2H])N1CCCC1=O M326122 [13CH3]N1[13CH2]CC[13C]1=O M326123 Cc1c(nc(o1)c2ccccc2)CCO M326125 Cc1ccc2c(c1)[C@@H](CC(=O)O2)c3ccccc3 M326130 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)OC)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C M326135 Cc1ccc2c(c1)c(cc(=O)o2)c3ccccc3 M326140 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C M326145 CC[C@@H]([C@H](c1ccccc1)O)NC.Cl M326150 Cc1cccc(n1)CC(=O)O M326155 CP(=O)(CCC(=O)O)O M326160 [2H]C([2H])([2H])P(=O)(CCC(=O)[O-])[O-].[Na+].[Na+] M326162 Cn1cc(c2c1nccc2)C(=O)N3CCCN(CC3)c4ccccc4 M326165 COC(=O)c1ccc(cc1)S(=O)(=O)N M326170 CC(C)(c1ccc(cc1)S(=O)(=O)N)C(=O)O M326173 CCCN1CCC(=CC1)c2cccc(c2)SC M326175 CCOC(=O)C(C[Se]C)(OCC)OCC M326180 CS(=O)CCCCN M326185 CCOC(=O)[C@@H]([C@H](c1ccc(cc1)S(=O)(=O)C)O)N M326190 [2H]C([2H])([2H])N(CCCCC)CCC#N M325879 COC(=O)C(c1ccccc1)C2CCCCN2.Cl M325880 [2H]C1(C(C(NC(C1([2H])[2H])([2H])C([2H])(c2ccccc2)C(=O)OC)([2H])[2H])([2H])[2H])[2H].Cl M325882 Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCc3ccc(cc3)Cl)OCc4ccc(cc4)Cl)OCc5ccc(cc5)Cl)N=[N+]=[N-] M325885 Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)COC(O3)c4ccccc4)OCc5ccc(cc5)OC)OCc6ccc(cc6)OC M325887 Cc1ccc(cc1)S(=O)[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)COC(O3)c4ccccc4)OCc5ccc(cc5)OC)OCc6ccc(cc6)OC M325888 Cc1ccc(cc1)S[C@H]2C([C@H]([C@@H]3C(O2)COC(O3)c4ccccc4)O)O M325890 CNc1ccccc1N M325891 [2H]C([2H])([2H])Nc1ccccc1N M325892 Cc1cccc(n1)C#Cc2cccc(c2)OC.Cl M325893 Cc1c(c[nH]n1)c2ccccc2 M325894 Cc1c(cnn1c2ccccc2)C(=O)O M325895 Cc1ccc(=O)n(c1)c2ccccc2 M325896 Cc1ccc(=O)n(c1)[14c]2[14cH][14cH][14cH][14cH][14cH]2 M325897 [2H]c1c(c(c(c(c1[2H])[2H])n2cc(ccc2=O)C)[2H])[2H] M325898 CC1(CCC=[N+]1[O-])c2ccccc2 M325900 Cc1cccc(c1)N2c3ccncc3S(=O)(=O)NC2=O M325901 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)O M325903 Cc1ccc(c(c1)N)NCCCc2ccccc2 M325904 Cc1ccc(cc1)SC2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M325905 CN1CCC(=CC1)c2ccccc2 M325910 [2H]c1c(c(c(c(c1[2H])[2H])C2=CCN(CC2)C)[2H])[2H] M325912 CN1CCC(=CC1)c2ccccc2.Cl M325913 [2H]c1c(c(c(c(c1[2H])[2H])C2=CCN(CC2)C)[2H])[2H].Cl M325914 Cc1ccc(cc1)S[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O M325915 CC(Cc1cccc(c1)OCc2ccccc2)(C(=O)OC)N3C(=O)c4ccccc4C3=O M325918 Cc1ccc(cc1)Sc2c3c([nH]c(=O)n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C M325920 CN1CCN(CC1)Cc2ccc(cc2)C(=O)O M325921 CN1CCN(CC1)Cc2ccc(cc2)C#N M325922 CC(C)C[C@@H](c1ccccc1N2CCCCC2)N.CC(=O)N[C@@H](CCC(=O)O)C(=O)O M325925 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C)([2H])[2H])[2H] M325926 [2H]C([2H])([2H])N1CCNCC1 M325927 CN1CCCCC1COC(=O)C(c2ccccc2)(c3ccccc3)O M325928 CC(c1ccc(cc1)C=C(C)C)C(=O)O M325929 CN1CCC(C1)O M325930 CN1CCC(=O)CC1 M325931 [2H]C1(CC(=O)CC(N1C)([2H])[2H])[2H] M325932 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O M325933 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O M325934 CC(C)C(=S)N M325935 [2H]C([2H])([2H])C(C(=S)N)C([2H])([2H])[2H] M325936 [2H][C@]12C(C[C@@H](C3=CC(=O)C=C[C@@]31C)C)[C@@H]4CC[C@@]([C@]4(C([C@@]2([2H])O)([2H])[2H])C)(C(=O)CO)O M325937 C/C=C/N(C)CCCC(c1cccnc1)O M325938 [2H]C([2H])([2H])C(C(=O)N)C([2H])([2H])[2H] M325939 CCC(C)[C@H]1COCC(=O)N1 M325940 Cc1cnc(cn1)C(=O)O M325941 CNCCCCc1cccnc1 M325942 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl M325943 Cc1ccc(cn1)C(=O)C2CCNC2=O M325944 Cc1ccncn1 M325945 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N M325946 CN1CCC(C1=O)[13C](=O)[13c]2[13cH][13cH][13cH]n[13cH]2 M325947 COC(=O)[C@@H]1CCC(=O)N1 M325948 COC(=O)CCc1ccc[nH]1 M325949 Cc1c2c([nH]cn2)ncn1 M325950 CN1CCC[C@H](O1)c2cccnc2 M325952 Cc1cncnc1 M325953 [2H]C1(CCC(=O)N1C)[2H] M325954 Cc1c(cccn1)C(=O)C2CCNC2=O M325955 c1ccc2c(c1)c(ccn2)CNc3cc(cnc3)c4cncnc4 M325956 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC)O)O)O M325957 CO[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O M325960 C[C@]1([C@@H]([C@H](OC1=O)CO)O)O M325961 Cc1ccc2nc(c(c(=O)n2c1)CCN3CCC(CC3)c4c5ccc(cc5on4)F)C M325962 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4c[n+](cs4)C)O.C(=O)O[O-] M325963 Cc1cc2cccc(c2nc1)S(=O)(=O)O M325965 Cc1cc2cccc(c2nc1)S(=O)(=O)Cl M325967 CC(CO)(C(=O)O)N M325970 C[C@@](CO)(C(=O)O)N M325975 C[C@](CO)(C(=O)O)N M325976 COC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)O M325980 CCCC(=O)N(C)c1ccccc1 M325985 CCOC(=O)C(C)(C)/N=C/c1ccccc1 M325990 [2H]C([2H])([2H])C(C(=O)OCC)(C([2H])([2H])[2H])/N=C/c1ccccc1 M325992 CN1CCNC(C1)c2ccccc2 M325995 [2H]C([2H])([2H])N1CCNC(C1)c2ccccc2 M325997 CCCCCCCCCCCCCCCCC[13C](=O)OC M326000 Cc1ccc(cc1)C2(N=N2)C(F)(F)F M326005 [2H]C([2H])([2H])N(CCOc1ccc(cc1)/C=C/2\C(=O)NC(=O)S2)c3ccccn3 M326007 Cc1ccc(cc1)C2(NN2)C(F)(F)F M326010 CCCn1cnc2c1c(=O)[nH]c(=O)n2C M326013 CC(C)C[C@@H](CC(=O)O)CNC M326015 [2H]C([2H])([2H])NC[C@@H](CC(C)C)C([2H])([2H])C(=O)O M326017 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)OC)c5nc6ccccc6n5C)C M326020 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C(=O)OC)C M326022 [2H]C([2H])([2H])N(CCOc1ccc(cc1)C=O)c2ccccn2 M326027 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O M326030 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)COC(=O)C)O M326035 CN1CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O M326040 [2H]C([2H])([2H])n1cccc1 M326047 Cc1c(nc2ccccc2n1)C=O M326050 [2H]C([2H])([2H])N(CCO)c1ccccn1 M326057 Cc1cc2ccccc2nc1 M326065 CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC M326070 CC(=O)Cc1ccc2c(c1)OCO2 M326075 Cc1cccc(c1O)C(=O)O M326080 Cn1ccc(c1c2cccnc2)Cc3ccccc3 M326085 CN(C1CCC(CC1)CCN2CCc3cc(ccc3C2)C#N)C(=O)c4ccnc5c4cccc5 M326090 C[Se]CC(=O)C(=O)O M326095 COC(=O)CCCCC(=O)ON1C(=O)CCC1=O M326100 CCCN1CCC(CC1)c2cccc(c2)S(=O)(=O)C M326195 CCCN1CCC(=CC1)c2cccc(c2)S(=O)(=O)C M326196 C[N+]1(CCOCC1)CCCS(=O)(=O)[O-] M326200 Cc1ncc(cn1)C(C)N M326205 CN1CCCC1 M326210 Cc1ccc(c(c1)O)C(=O)O M326215 Cc1ccc(c(c1)C(=O)O)O M326220 CS(=O)CCCCN M326225 CS(=O)(=O)[13CH2][13CH2][15NH]C(=O)OCc1ccccc1 M326232 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)sc(c3C(=O)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O)C(=O)OC)OC(=O)C M326235 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N6CCCCC6 M326237 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3c(c4ccc(cc4s3)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)C(=O)OC)OC(=O)C M326240 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O)N6CCCCC6 M326242 CC(C)/C=C\CCCCC(=O)O M326245 CS(=O)(=O)c1cccc(c1)C2=CCNCC2 M326250 C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O)OC M326255 CNCCc1c[nH]c2c1cc(cc2)O M326595 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)O M326597 CNc1ccc(cc1)S(=O)(=O)Nc2c(c(ncn2)OC)OC M326600 CS(=O)(=O)N1CCCC(C1)N.C(=O)(C(F)(F)F)O M326605 CC(=O)N[C@H]1C=C(O[C@H]([C@@H]1OC(=O)C)C([C@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC M326610 CS(=O)CCCC/C=N/O M326615 [2H]C([2H])([2H])S(=O)C([2H])([2H])CCC/C=N/O M326617 CS(=O)CCCCC1OCCO1 M326620 [2H]C([2H])([2H])S(=O)C([2H])([2H])CCCC1OCCO1 M326622 CS(=O)(=O)c1ccc2c(c1)Nc3ccccc3S2 M326625 CS(=O)(=O)c1ccc2c(c1)Nc3ccccc3S2=O M326630 CS(=O)(=O)c1ccc2c(c1)Nc3ccccc3S2(=O)=O M326635 COc1ccc(cc1C(=O)O)S(=O)(=O)N M326640 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C35OCC(=O)O5)/C=N/N6CCN(CC6)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O M326650 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)CN(C)N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O M326660 [2H]C([2H])([2H])N1CCC(=O)CC1 M326667 CC(C)CC(c1ccccc1N2CCCCC2)N.C(CCC(=O)O)CC(=O)O M326260 CN(Cc1c[nH]c-2nc(nc(=O)c2n1)N)c3ccc(cc3)C(=O)O M326265 CNS(=O)(=O)CCc1ccc2c(c1)c(cn2CCS(=O)(=O)NC)C3CCN(CC3)C.Cl M326270 [13CH3]S(=O)(=O)c1ccccc1 M326277 CS(=O)(=O)SCCCCCC(=O)O M326280 C[n+]1ccc(cc1)c2ccccc2.[I-] M326285 [2H]C([2H])([2H])[n+]1ccc(cc1)c2ccccc2.[I-] M326287 CNC(=O)c1ccccn1 M326290 [2H]C([2H])([2H])NC(=O)c1ccccn1 M326292 Cc1cc2cc[nH]c2nc1 M326295 C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OC(=O)CCC(=O)O M326300 [2H][C@]12[C@@H](C[C@@H](C3=CC(=O)C=C[C@@]31C)C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)OC(=O)CCC(=O)O M326302 CCCNC M326305 Cc1ccc(cn1)C(C)O M326310 [2H]C([2H])([2H])C([2H])(c1ccc(nc1)C)O M326312 Cc1cncnc1CN M326315 CCCc1[nH]c2cc(cc(c2n1)C)c3[nH]c4ccccc4n3 M326320 CN1CCC(CC1)c2c3ccccc3on2.Cl M326325 Cc1c(c(=O)n2c(n1)CCCC2C)CCN3CCC(CC3)c4c5ccc(cc5on4)F M326330 CC(C)CC(CC(=O)O)CC(=O)O M326335 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)[N+](C)(C)C.[Cl-] M326340 CN1CCCCC1C(=O)O M326345 CN1CCCCC1CCc2ccccc2NC(=O)/C=C/c3ccc(c(c3)OC)O M326350 [2H][13C]([2H])([2H])N1CCCCC1CCc2ccccc2NC(=O)/C=C/c3ccc(c(c3)OC)O M326352 CN1CCCCC1CCc2ccccc2NC(=O)/C=C/c3ccc(cc3)O M326355 [2H][13C]([2H])([2H])N1CCCCC1CCc2ccccc2NC(=O)/C=C/c3ccc(cc3)O M326357 CN1CCCCC1CCc2ccccc2NC(=O)/C=C/c3ccccc3 M326360 CCC(C(=O)c1ccc(cc1)C)N2CCCC2.Cl M326362 CC(=O)CN1c2ccccc2Sc3c1cccc3 M326365 CC(CN1c2ccccc2Sc3c1cccc3)O M326370 CCCCC(C(=O)c1ccc(cc1)C)N2CCCC2.Cl M326375 [2H]C1(C(C(N(C1([2H])[2H])C(CCCC)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl M326377 CCC(C(=O)c1ccc(cc1)C)N2CCCC2.Cl M326380 [2H]C1(C(C(N(C1([2H])[2H])C(CC)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl M326382 Cc1ccc(cc1)C(=O)C(C)N2CCCC2.Cl M326385 [2H]C1(C(C(N(C1([2H])[2H])C(C)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl M326387 Cc1c[n+](c2ccccc2[n+]1[O-])[O-] M326390 Cc1ccc(cc1)C(=O)CCc2ccc(c3c2cccc3)OC M326395 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C M326400 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O M326402 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C)O)C M326405 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C)O)C)C M326407 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C M326410 CCC(C)C(=O)C(=O)[O-].[Na+] M326420 CCC([13CH3])[13C](=O)[13C](=O)[O-].[Na+] M326422 [2H]C([2H])([2H])C(C(=O)C(=O)[O-])C([2H])([2H])C([2H])([2H])[2H].[Na+] M326423 CC(C)CC(=O)C(=O)[O-].[Na+] M326425 CC(C)[13CH2][13C](=O)[13C](=O)[O-].[Na+] M326427 [2H]C([2H])([2H])C([2H])(CC(=O)C(=O)[O-])C([2H])([2H])[2H].[Na+] M326428 Cc1ccc(cc1)S(=O)(=O)OCc2cc(nc(c2)C(=O)OC)C(=O)OC M326435 Cc1ccc2c(c1)C(CC(=O)O2)c3ccccc3 M326450 Cn1ccc(=O)cc1 M326460 [2H]C([2H])([2H])n1ccc(=O)cc1 M326462 CN(C)[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl M326470 [2H]C([2H])([2H])N([C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl)C([2H])([2H])[2H].Cl M326472 Cc1cccc(n1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O M326480 C[C@H]1CNCC[C@H]1N(c2ccccc2)C(=O)C(F)(F)F M326500 Cc1c2cc(ccc2[nH]c1c3ccc(cc3)OCc4ccccc4)OCc5ccccc5 M326510 CC(C)CN1CCC(=O)CC1 M326515 CC1(CNC1)c2ccccc2 M326520 [2H]C([2H])([2H])P(=O)(Cl)Cl M326527 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)OC4CCCCO4)CC[C@@H]5[C@@]3(Cc6cn[nH]c6C5)C M326530 CNCC#C M326535 [2H]C([2H])([2H])C([2H])(CCCCCC=O)C([2H])([2H])[2H] M326540 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O M326545 COc1cc(cc2c1c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O M326550 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)O)O)O M326555 CC(c1cncnc1)O M326560 [2H]C([2H])([2H])C(c1cncnc1)O M326562 Cc1c[nH]cc1C(=O)O M326570 COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O M326575 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O M326580 COC(=O)c1ccccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O M326585 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccccc2C(=O)OC)C(=O)OC)OC(=O)C M326590 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)OC(=O)C M326670 CC(=O)OC[C@@H]1[C@H]([C@@H](C([C@@H](O1)Oc2c3ccccc3[nH]c2C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C M326680 CC(=O)O[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C M326700 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC)OC(=O)C)OC(=O)C)OC(=O)C M327000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O)OC)CO)O)OC(=O)C)OC(=O)C)OC(=O)C M327075 CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 M328000 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 M329000 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 M330000 COC1[C@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 M330005 CC(C)(C)OC(=O)Nc1c(cccc1[N+](=O)[O-])C(=O)OC M330010 CC(C)(C)OC(=O)N(C)CCCC(c1cccnc1)O M330020 CC(C)(C(=O)OC)OC(=O)OC(C(Cl)(Cl)Cl)Cl M330030 CCCCCCCCC(C)CCCCC(=O)O M330050 CCCCCCCCC(C)/C=C/CCC(=O)O M330060 CN1CCCNc2c1cccc2 M330070 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1C(=O)CCl)c4ccc5c(c4)OCO5 M330125 CN1c2c([nH]c(nc2=O)N)NCC1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.[CaH2] M330135 [2H]C([2H])([2H])N1c2c([nH]c(nc2=O)N)NCC1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O M330137 CC1C(CCO1)S M330140 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1)c4ccc5c(c4)OCO5 M330150 COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](N1)c4ccc5c(c4)OCO5 M330155 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)OC4CCCCO4)CC[C@@H]5[C@@]3(Cc6cnn(c6C5)C7CCCCO7)C M330180 CC(C)C(=O)O[C@@H]1[C@H](O[C@H]([C@@H](C1OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C(=O)OC M330230 Cn1c(=S)nn[nH]1 M330260 [2H]C([2H])([2H])n1c(=S)nn[nH]1 M330262 Cc1ccsc1 M330265 C[N+]1(CCc2c(ccs2)C1)Cc3ccccc3Cl.[I-] M330270 CC(C(=O)NCC(=O)O)SC M330280 [2H]C([2H])([2H])[C@H](CCCC)COS(=O)(=O)c1ccc(cc1)C M330292 CC1NC(CS1)C(=O)O M330300 COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 M330350 CC(Cc1c[nH]c2c1cc(cc2)OCc3cccs3)N.Cl M330410 COC(=O)CCc1cccs1 M330475 COC(=O)/C=C/c1cccs1 M330495 Cc1c(=O)ccn2c1c(=S)n3c2nc4c3cccc4 M330550 CC(=O)Nc1ccc(c(c1)SC)O M330610 [2H]C([2H])([2H])Sc1cc(ccc1O)NC(=O)C M330612 CC(Cc1ccc(cc1)SC)N M330650 CSCCCCN M330680 CSCCCC#N M330700 CSc1[nH]c(=O)ccn1 M330710 CSc1ccc2c(c1)Nc3ccccc3S2 M330715 CSc1c2c(nc[nH]2)nc(n1)N M330720 [2H]C([2H])([2H])Sc1c2c(nc[nH]2)nc(n1)N M330722 CCC(=O)N(c1ccccc1)C2CCN(CC2)C(C)Cc3cccs3 M330725 CCC(=O)N(c1ccccc1)C2CCN(CC2C)CCc3cccs3 M330730 C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)O M330735 CC1CS(=O)(=O)CCN1N M330740 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC M330747 CSC(=N)NCCCC(C(=O)O)N M330750 CS[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O M330753 Cn1c(=S)c2c(nc1N)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O M330757 C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@H](C([C@H](O3)CO)O)O M330760 CSCCCCN=C=S M330763 CSC1=NCCN1.I M330765 [2H]C1(C(N=C(N1)SC)([2H])[2H])[2H].I M330767 Cc1ccc(cc1)S(=O)(=O)OCCCSC M330768 [2H]C([2H])([2H])c1ccsc1 M330769 CSCCCO M330771 [2H]C([2H])([2H])SCCC=O M330772 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)F M330773 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(=O)C)OC(=O)C)O M330774 CC(=O)OC[C@@H]1[C@H]([C@H](C(O1)OC)OC(=O)C)OC(=O)C M330775 Cc1nnc2n1ncc3c2cccc3 M330777 Cn1cncn1 M330779 C[C@]1([C@@H]([C@H](O[C@H]1n2ccc(nc2=O)N)COC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 M330780 CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c2ccccc2)O)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M330785 CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)O/C(=N/c2ccc(cc2)OC)/C(F)(F)F)C(=O)OC)OC(=O)C M330790 CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c2ccccc2)OS(=O)(=O)C(F)(F)F)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M330795 COC1[C@@H]([C@H]([C@H]([C@H](O1)CBr)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 M330800 CO[C@@H]1[C@@H]([C@H](C[C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M330805 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 M330810 COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 M330813 Cc1ccc(cc1)S(=O)(=O)Oc2c(c(c(c3c2C(=O)OC3)C)OC)C/C=C(\C)/CCC(=O)OC M330815 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)OC)OS(=O)(=O)c3ccc(cc3)C)C(=O)OC2)C M330817 CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C M330818 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC)C(=O)OC)OC(=O)C M330819 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 M330825 CO[C@@H]1[C@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 M330830 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 M330835 CN1C(=O)N=NC1=O M330850 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)[n+]2cccc(c2)C3CCCN3C(=O)OC(C)(C)C)C(=O)OC)OC(=O)C.[Br-] M330855 CCO[Si](CNC)(OCC)OCC M330860 CO[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl M330865 Cc1ccc(o1)C(F)(F)F M330870 COC(=O)c1cccc(c1)OC(F)(F)F M330875 Cc1ccc(cc1)C(C)(C)C(=O)O M330880 Cc1ccc(c(c1)C(CCN(C(C)C)C(C)C)c2ccccc2)OC.C(=C/C(=O)O)\C(=O)O M330885 Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] M330890 Cc1ccc(cc1)S(=O)(=O)N(C)C(=O)OC M330895 [2H]C([2H])([2H])n1c2c(c(=O)[nH]c1=O)n(c(=O)[nH]2)C M330900 CN(CCc1ccc(c(c1)OC)OCc2ccccc2)C(=O)C(F)(F)F M330905 Cc1c(ccnc1CS(=O)c2[nH]c3cc(ccc3n2)OCOC)OCC(F)(F)F M330910 Cc1c(ccnc1CSc2[nH]c3cc(ccc3n2)OCc4ccccc4)OCC(F)(F)F M330915 Cc1c(ccnc1CSc2[nH]c3cc(ccc3n2)O[Si](C)(C)C(C)(C)C)OCC(F)(F)F M330918 Cc1c(cccc1NC(=O)C(C)(C)C)C(F)(F)F M330925 [2H]C([2H])([2H])c1c(cccc1NC(=O)C(C)(C)C)C(F)(F)F M330927 CC(C)C(=O)O[C@@H]1[C@H](O[C@@H]([C@@H](C1OC(=O)C(C)C)OC(=O)C(C)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC M330930 C[C@H]1[C@H]([C@H](CC(O1)OC)NC(=O)C(F)(F)F)OC(=O)C M330935 C[C@H]1[C@H]([C@H](CC(O1)OC)NC(=O)C(F)(F)F)O M330940 CN(CCCC(c1cccnc1)O)C(=O)C(F)(F)F M330945 Cc1ccc(cc1NC(=O)C(C)(C)C)C(F)(F)F M330960 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C#N)/C M330965 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C#N)/C)(C)C)[2H] M330967 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=O)/C)(C)C)[2H] M330972 COC(c1ccccc1)(c2ccccc2)c3ccccc3 M330975 Cc1cc(=O)oc2c1ccc(c2)O[Si](C)(C)C M330980 [2H]C([2H])([2H])C(CC#C)(C([2H])([2H])CCC)O[Si](C)(C)C M330987 C[P+](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3.[I-] M330990 [2H]C([2H])([2H])[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[I-] M330997 [2H][13C]([2H])([2H])[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[I-] M330998 COC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 M331000 Cc1cc(ccn1)C(=S)N M331005 Cc1c(ccnc1Cn2c3ccccc3nc2S(=O)Cc4c(c(ccn4)OCC(F)(F)F)C)OCC(F)(F)F M331010 [2H]c1c(c(c2c(c1[2H])nc(n2Cc3c(c(ccn3)OCC(F)(F)F)C)S(=O)Cc4c(c(ccn4)OCC(F)(F)F)C)[2H])[2H] M331012 Cc1c(ccnc1Cn2c3ccccc3nc2SCc4c(c(ccn4)OCC(F)(F)F)C)OCC(F)(F)F M331015 [2H]c1c(c(c2c(c1[2H])nc(n2Cc3c(c(ccn3)OCC(F)(F)F)C)SCc4c(c(ccn4)OCC(F)(F)F)C)[2H])[2H] M331017 Cc1c(ccnc1Cn2c3ccccc3nc2S(=O)(=O)Cc4c(c(ccn4)OCC(F)(F)F)C)OCC(F)(F)F M331020 [2H]c1c(c(c2c(c1[2H])nc(n2Cc3c(c(ccn3)OCC(F)(F)F)C)S(=O)(=O)Cc4c(c(ccn4)OCC(F)(F)F)C)[2H])[2H] M331022 CN1CCN(CC1)Cc2ccc(c(c2OC)OC)OC M331040 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])Cc2ccc(c(c2OC)OC)OC)([2H])[2H])[2H] M331042 [2H]C([2H])([2H])N1CCN(CC1)Cc2ccc(c(c2OC)OC)OC M331043 COc1cc(cc(c1OC)OC)C(=O)OC M331060 CNC[Si](OC)(OC)OC M331075 C[C@@H]1CCCC(=O)C1CCC2(OCC(CO2)(C)C)C M331085 CN(C(=O)C(F)(F)F)[Si](C)(C)C M331125 [2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])N(C)C(=O)C(F)(F)F M331127 [2H]C([2H])([2H])C([2H])(CCCCCCCCCCC=O)C([2H])([2H])[2H] M331162 CC(C)CCCCCCCCCCCO M331170 [2H]C([2H])([2H])C([2H])(CCCCCCCCCCCO)C([2H])([2H])[2H] M331172 [2H]C([2H])([2H])[P+](c1ccc(cc1)C)(c2ccc(cc2)C)c3ccc(cc3)C.[I-] M331252 [2H][13C]([2H])([2H])[P+](c1ccc(cc1)C)(c2ccc(cc2)C)c3ccc(cc3)C.[I-] M331253 COC(=O)c1cc(c(c(c1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 M331285 Cc1cccc(c1OC[C@@H](C)N)C.Cl M340790 Cc1cccc(c1OCC(C)N)C.Cl M340795 Cc1cccc(c1OCC(C)N)C.Cl M340800 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])Nc2ncc3c(n2)-c4ccc(cc4C(=NC3)c5c(cccc5F)F)Cl)[2H] M425127 c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)F M425130 [2H]c1c(c(c(c(c1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H])Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl)[2H] M425132 c1cc(ccc1C(=O)NCCN2CCOCC2)Cl M481000 c1ccc(cc1)C(c2ccccc2)[S@](=O)CC(=O)O M482460 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@](=O)CC(=O)O)[2H])[2H] M482462 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@@](=O)CC(=O)O)[2H])[2H] M482467 CC(C)c1ccccc1.c1ccc(cc1)C(c2ccccc2)[S@](=O)CC(=O)O M482470 COC(=O)C[S@H](C(c1ccccc1)c2ccccc2)O M482480 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@](=O)CC(=O)OC)[2H])[2H] M482482 COC(=O)C[S@@H](C(c1ccccc1)c2ccccc2)O M482485 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@@](=O)CC(=O)OC)[2H])[2H] M482487 c1ccc(cc1)C(c2ccccc2)S(=O)(=O)CC(=O)O M482490 c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)N M482500 CO[13C](=O)CCC[13C](=O)O M566502 COC(=O)c1ccccc1C(=O)O M566540 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OC)[2H])[2H] M566542 COC(=O)c1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O M566545 [2H]c1c(c(c(c(c1[2H])C(=O)OC)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] M566547 CCCCCCCCOC(=O)c1ccccc1C(=O)O M566650 CC(=O)CCCOC(=O)c1ccccc1C(=O)O M566700 COC(=O)C1CN1C(c2ccccc2)(c3ccccc3)c4ccccc4 M331300 COC1[C@@H]([C@H]([C@H]([C@H](O1)COC(c2ccccc2)(c3ccccc3)c4ccccc4)O)O)O M331350 CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(c2ccccc2)(c3ccccc3)c4ccccc4)O)O)O M331360 COC(=O)CCc1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4 M331775 CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC)COC(c2ccccc2)(c3ccccc3)c4ccccc4 M331830 Cc1ccc(cc1)c2ccccc2C(=O)OC M331860 CNCCc1c[nH]c2c1cccc2 M331920 [2H]C([2H])([2H])NCCc1c[nH]c2c1cccc2 M331922 CC(Cc1c[nH]c2c1cccc2)N M331925 Cc1c(c2ccccc2[nH]1)CCN M331930 [2H]c1c(c(c2c(c1[2H])c(c([nH]2)C([2H])([2H])[2H])CCN)[2H])[2H] M331932 Cc1ccc2c(c1)c(c[nH]2)CCN.Cl M331940 C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N M331980 C[C@@](Cc1c[nH]c2c1cccc2)(C(=O)O)N M331985 CC(Cc1c[nH]c2c1cccc2)(C(=O)OC)N M332000 CC(Cc1c[nH]c2c1cccc2)([14C](=O)OC)N M332200 CNCCc1ccc(cc1)O.Cl M332350 COC(=O)[C@H](Cc1ccc(cc1)O)N M332525 COc1ccc(cc1)CC(C(=O)O)N M332670 COc1ccc(cc1)C[C@@H](C(=O)O)N M332675 CC(Cc1ccc(cc1)O)(C(=O)O)N M332685 CC(Cc1cccc(c1)O)(C(=O)O)N M332695 C[C@](Cc1ccc(cc1)O)(C(=O)O)N M332700 Cc1cc(ccc1O)C[C@@H](C(=O)O)N M332710 CN[C@H](Cc1ccc(cc1)O)C(=O)O M332720 CC(Cc1ccc(cc1)O)(C(=O)OC)N.Cl M332740 Cc1cc(=O)oc2c1ccc(c2)O M333000 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C M333005 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)COC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C M333012 Cc1cc(=O)oc2c1ccc(c2)O[C@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)O)O)C(=O)[O-].[Na+] M333015 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)COC(O4)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 M333020 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)c4ccccc4)O)OC(=O)c5ccccc5)O M333023 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OC(=O)c4ccccc4)OC(=O)c5ccccc5 M333025 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O[C@H]4C([C@H]([C@@H](C(O4)C)O)O)O M333030 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O M333050 [Li+].Cc1cc(=O)oc2c1ccc(c2)OP(=O)([O-])O[C@H]3[C@@H]([C@@H]([C@@H]([C@H]([C@@H]3O)O)O)O)O M333060 CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C M333070 Cc1cc(=O)oc2c1ccc(c2)OS(=O)(=O)[O-].[K+] M333100 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C)NC(=O)C M333210 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C M333300 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C)O)O)O)O)NC(=O)C M333350 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M333400 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)COC(O4)c5ccccc5)OC(=O)c6ccccc6)NC(=O)C M333460 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C M333500 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C M333530 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O)NC(=O)C.[Na+] M333537 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)[O-])O)O)NC(=O)C.[K+] M333540 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C M333600 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M333605 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)c5ccccc5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M333610 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)COC(O4)c5ccc(cc5)OC)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M333615 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)c5ccccc5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] M333620 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)c5ccccc5)O)N=[N+]=[N-] M333625 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)COC(O4)c5ccc(cc5)OC)O)NC(=O)C M333635 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C M333800 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C M334000 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)OC(=O)c4ccccc4)OC(=O)c5ccccc5)NC(=O)C M334060 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M334090 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C M334130 Cc1cc(=O)oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-].[Na+] M334200 Cc1cc(=O)oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC M334220 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] M334230 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)N M334275 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H](C([C@H](O3)CO)O)O M334305 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)N=[N+]=[N-] M334320 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H]4C(O3)COC(O4)c5ccccc5)O)O M334340 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)O)O)O M334355 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO)O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)O M334360 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO)O[C@H]4C([C@H]([C@@H](C(O4)CO)O[C@H]5C([C@H]([C@@H](C(O5)CO)O[C@H]6C([C@H]([C@@H](C(O6)CO)O[C@H]7C([C@H]([C@@H](C(O7)CO)O)O)O)O)O)O)O)O)O)O)O M334370 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M334375 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO)O[C@H]4C([C@H]([C@@H](C(O4)CO)O[C@H]5C([C@H]([C@@H](C(O5)CO)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)O)O)O)O)O)O M334380 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M334385 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O M334390 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M334395 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C M334420 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C M334425 CCCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C M334450 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O[C@H]4C([C@H]([C@@H](C(O4)C)O)O)O)O M334460 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O M334465 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)O M334470 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3C([C@H]([C@H](C(O3)CO)O)O)O M334475 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O M334480 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)[O-])O)O)O.[Na+] M334481 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M334485 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO[C@H]4C([C@H]([C@@H](C(O4)CO[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O)O)O)O)O)O M334490 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)O M334495 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O M334500 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3C([C@H]([C@@H](C(O3)CO)OCCCCCC(=O)ON4C(=O)CCC4=O)O)O M334515 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O M334550 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O M334600 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)[O-])O)O)O.[Na+] M334701 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-].[Na+].[Na+].[Na+] M334710 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)[O-])O)O)OS(=O)(=O)[O-].[Na+].[Na+] M334715 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OC)OS(=O)(=O)O)O)OS(=O)(=O)O M334720 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M334745 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O M334750 Cc1cc(=O)oc2c1ccc(c2)SS(=O)(=O)C M334760 CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C M334775 Cc1cc(=O)oc2c1ccc(c2)OP(=O)([O-])OCC[N+](C)(C)C M334800 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)O M334850 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)[O-].[Na+] M334851 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O)O)NC(=O)C.[K+] M334950 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O)O)NC(=O)C.[K+] M335000 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C M336000 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M336120 Cc1cc(=O)oc2c1ccc(c2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M336145 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M336150 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M336151 CCCCCCCCCCCCCCCC(=O)SC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(cc(=O)oc3c2)C)O)O)O M336675 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C M337500 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)O M337510 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC(=O)C)OC(=O)C)OC(=O)C M337515 Cc1cc(=O)oc2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C M337520 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C M337530 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 M337590 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(c4ccccc4)(c5ccccc5)c6ccccc6)OC(=O)C)OC(=O)C)OC(=O)C M337595 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 M337600 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 M337605 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)c4ccccc4)O)OC(=O)c5ccccc5)OC(=O)c6ccccc6 M337610 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)OC(=O)c6ccccc6)OC(=O)c7ccccc7)OC(=O)c8ccccc8 M337615 Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F M337625 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F M337630 Cc1cnc-2c(=O)nc(nc2[nH]1)N M337900 CC1CCc2ccccc2C1=O M337950 CC1CC[13c]2[13cH][13cH][13cH][13cH][13c]2C1=O M337952 CC(C)CCCCCCCCC=O M338100 [2H]C([2H])([2H])C([2H])(CCCCCCCCC=O)C([2H])([2H])[2H] M338102 CC(C)CCCCCCCCCO M338110 [2H]C([2H])([2H])C([2H])(CCCCCCCCCO)C([2H])([2H])[2H] M338112 Cn1ccc(=O)[nH]c1=O M338150 Cc1cc(=O)[nH]c(=O)[nH]1 M338160 Cn1c(=O)c2c([nH]c(=O)[nH]2)[nH]c1=O M338180 [2H]C([2H])([2H])n1c(=O)c2c([nH]c(=O)[nH]2)[nH]c1=O M338182 Cn1c2c([nH]c(=O)[nH]c2=O)[nH]c1=O M338185 Cc1cn(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)CO)O)O M338190 [2H]c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C([2H])([2H])[2H] M338192 CO[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)CO)O M338200 [2H]C([2H])([2H])NC(=N)N M338350 COC(=O)/C=C/c1cnc[nH]1 M338475 CCOc1ccccc1OCC2CN(CCO2)C M338510 [2H]C([2H])([2H])N1CCOC(C1)COc2ccccc2OCC M338512 CCC[C@H](C)C(=O)O M338520 CCCCC(=N)OC.Cl M338525 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=N)OC.Cl M338527 CC(C)[C@](C)(C(=O)O)N M338535 CC(C)[C@@](C)(C(=O)O)N M338540 CC(=O)N(C)C=C M338550 C[Si](C=C)(C1=CCC=C1)C2=CCC=C2.[Fe] M338565 Cn1c(=O)c2c([nH]cn2)[nH]c1=O M338575 [2H]C([2H])([2H])n1c(=O)c2c([nH]cn2)[nH]c1=O M338577 Cn1cnc2c1c(=O)[nH]c(=O)[nH]2 M338580 Cc1ccc(cc1)c2c(n3ccc(cc3n2)C)CC(=O)N(C)C M338600 CNS(=O)(=O)Cc1c2ccccc2on1 M338605 [2H]C([2H])([2H])NS(=O)(=O)Cc1c2ccccc2on1 M338607 CC1C(O1)C(=O)OC M338610 C.CCSC(=S)NCCNC(=S)SC.CSC(=S)NCCNC(=S)SC M338630 CCN(CC)CCNC(=O)c1cc(c(cc1OC)NS(=O)(=O)O)Cl M338680 CCN(CC)CCNC(=O)c1cc(c(cc1OC)N)Cl.Cl M338685 [2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCCN(CC)CC)Cl)N M338687 CCN(CC)CCNC(=O)c1cc(c(cc1OC)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl M338690 CC[N+](CC)(CCNC(=O)c1cc(c(cc1OC)N)Cl)[O-] M338695 [2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCC[N+](CC)(CC)[O-])Cl)N M338697 CCc1cccc(c1N(C(C)COC)C(=O)CCl)C M338700 [2H]C([2H])([2H])C([2H])(C([2H])([2H])OC)N(c1c(cccc1CC)C)C(=O)CCl M338702 Cc1ccccc1N2C(Nc3cc(c(cc3C2=O)S(=O)(=O)N)Cl)C M338750 CC(c1ccccc1)n2cncc2C(=O)OC M338755 CS(=O)(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCC(CC4)C(=O)N M338760 [2H]C([2H])(C([2H])([2H])N1CCC(CC1)C(=O)N)C([2H])([2H])N2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)C M338762 CS(=O)(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCC(CC4)C(=O)O M338765 [2H]C([2H])(C([2H])([2H])N1CCC(CC1)C(=O)O)C([2H])([2H])N2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)C M338767 CC(C)NC[C@H](COc1ccc(cc1)CCOC)O M338775 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COc1ccc(cc1)CCOC)O M338777 CC(C)NC[C@@H](COc1ccc(cc1)CCOC)O M338780 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1)CCOC)O M338782 CC(C)NCC(COc1ccc(cc1)CC(=O)O)O M338785 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CC(=O)O)O)NC(C)C M338787 CC(C)NCC(COc1ccc(cc1)CCOC)O.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O M338790 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)CCOC)O M338792 CCOC(=O)Cc1ccc(cc1)OCC(CNC(C)C)O M338795 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CC(=O)OCC)O)NC(C)C M338797 CC(C)NCC(COc1ccccc1CCOC)O M338800 COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@@H]([C@@H]([C@H]5C(=O)OC)OC)OC M338810 [2H]C([2H])([2H])O[C@H]1C[C@@H]2CN3CCc4c5ccc(cc5[nH]c4[C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)OC M338812 C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O M338820 Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl M338835 CC(=O)Nc1c(c(c(c(c1I)N(C)C(=O)C)I)C(=O)N[C@@H]2[C@@H](OC([C@H](C2O)O)CO)O)I M338850 Cc1ncc(n1CCO)[N+](=O)[O-] M338880 [2H]C([2H])(C([2H])([2H])O)n1c(ncc1[N+](=O)[O-])C M338882 Cc1ncc(n1CCO[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] M338890 Cc1ccc2nc(c(c(=O)n2c1)CCN3CCC(CC3)C(=O)c4ccc(cc4)F)C M338910 [2H]C([2H])(c1c(nc2ccc(cn2c1=O)C)C)C([2H])([2H])N3CCC(CC3)C(=O)c4ccc(cc4)F M338912 CC(C)(C)c1c(=O)n(c(nn1)SC)N M338920 CC(=O)Nc1c(c(c(c(c1I)N(C)C(=O)C)I)C(=O)O)I M338935 CN1CC[C@]2([C@@H]1CC(=O)CC2)c3ccc(c(c3)OC)OC M338950 [2H]C([2H])([2H])N1CC[C@]2([C@@H]1CC(=O)CC2)c3ccc(c(c3)OC)OC M338952 CC(CCO)(CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 M339020 [2H]C([2H])([2H])C(CCO)(CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 M339022 CC1(CCOC(=O)C1)O M339025 [2H]C([2H])([2H])C1(CCOC(=O)C1)O M339027 CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O M340500 CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O.[Na+] M340510 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Oc1c(cccc1C)C)N.Cl M340802 Cc1cccc(c1OCC(C)NC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)C.[Na+] M340810 CN1CCN2c3ccccc3Cc4ccccc4C2C1.Cl M341500 [2H]C([2H])([2H])N1CCN2c3ccccc3Cc4ccccc4C2C1 M341502 C[N+]1(CCN2c3ccccc3Cc4ccccc4C2C1)[O-] M341510 CC(C)[C@H]1c2cc(ccc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F.O M341800 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O M342000 [2H]C([2H])([2H])[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@H]34)C)C)O M342002 CCCCCOc1ccc(cc1)c2cc(no2)c3ccc(cc3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)C(NC4=O)[C@@H](C)O)O)[C@@H]([C@H](c7ccc(c(c7)OS(=O)(=O)O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O M342350 c1cc(c(cc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl)Cl.[N+](=O)(O)[O-] M342500 [2H]C([2H])(c1ccc(cc1Cl)Cl)OC([2H])(c2ccc(cc2Cl)Cl)C([2H])([2H])n3ccnc3.[N+](=O)(O)[O-] M342502 Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl M343000 [2H]c1cc(c(c(c1)C2=NC(c3c(nc(n3-c4c2cc(cc4)Cl)C)[2H])([2H])[2H])F)[2H] M343002 [2H]c1c2n(c(n1)C([2H])([2H])[2H])-c3ccc(cc3C(=NC2([2H])[2H])c4ccccc4F)Cl M343003 [13CH3][13c]1nc[13c]2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl M343004 Cc1n-2c(c[n+]1[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O)CN=C(c4c2ccc(c4)Cl)c5ccccc5F M343010 [2H]c1c2n(c([n+]1[O-])C([2H])([2H])[2H])-c3ccc(cc3C(=[N+](C2([2H])[2H])[O-])c4ccccc4F)Cl M343032 Cc1n-2c(c[n+]1[O-])CN=C(c3c2ccc(c3)Cl)c4ccccc4F M343050 CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C M343250 COc1ccc(c(c1)C(CNC(=O)CN)O)OC.Cl M343750 [2H]C([2H])([2H])Oc1ccc(c(c1)C(CNC(=O)CN)O)OC([2H])([2H])[2H].Cl M343752 CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O M343975 [2H]C([2H])([2H])N(C)c1ccc(cc1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C M343977 C1C([C@H]([C@@H](C(N1CCO)CO)O)O)O M344200 [2H]C([2H])(C([2H])([2H])O)N1CC([C@H]([C@@H](C1CO)O)O)O.Cl M344202 c1cc(ccc1C(=O)C2CCN(CC2)CCCn3c4ccc(cc4[nH]c3=O)Cl)F M344300 [2H]c1c(c(c(c(c1C(=O)C2CCN(CC2)CCCn3c4ccc(cc4[nH]c3=O)Cl)[2H])[2H])F)[2H] M344302 C[N+](C)(C)NCCC(=O)[O-] M344450 CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C M344460 CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C M344500 CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2.Cl M344590 CCN(CC)C(=O)[C@]1(C[C@H]1CN)c2ccccc2.Cl M344595 CCN(CC)C(=O)C1(C[C@@H]1CN)c2ccccc2.Cl M344600 c1ccc(cc1)C2(C[C@@H]2CN)C(=O)O.Cl M344605 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3ccccc3 M344610 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)c3ccccc3 M344615 CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)c3ccccc3 M344620 Cc1c(cc(c(=O)[nH]1)C#N)c2ccncc2 M344680 CN(C)c1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O M344790 [2H]C([2H])([2H])N(c1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)C([2H])([2H])[2H] M344792 CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O.Cl M344800 [2H]C([2H])([2H])N(c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O)C([2H])([2H])[2H] M344802 c1c([n+](c(nc1N2CCCCC2)N)[O-])N M345000 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])c2cc([n+](c(n2)N)[O-])N)([2H])[2H])([2H])[2H])[2H] M345002 c1c(=N)n(c(nc1N2CCCCC2)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O M345050 c1c([n+](c(nc1N2CCCCC2)N)OS(=O)(=O)[O-])N M345100 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])c2cc([n+](c(n2)N)OS(=O)(=O)[O-])N)([2H])[2H])([2H])[2H])[2H] M345102 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)On2c(=N)cc(nc2N)N3CCCCC3)C(=O)OC)OC(=O)C M345130 c1ccc(cc1)[C@H](CNCCc2ccc(cc2)NC(=O)Cc3csc(n3)N)O M364900 C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl M364970 CN1CCN2c3c(cccn3)Cc4ccccc4C2C1 M365000 CN1CCN2c3c(cc(cn3)Br)Cc4ccccc4C2C1 M365005 [2H]C([2H])([2H])[N+]1(CCN2c3c(cccn3)Cc4ccccc4C2C1)[O-] M365012 CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O M368750 [2H]C([2H])([2H])C(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)(C([2H])([2H])CCC)O M368752 CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O M368760 CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O M368761 [2H]C([2H])([2H])C(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)(C([2H])([2H])CCC)O M368762 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC M371890 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)OC M371895 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N M371900 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)N M371905 CN(C)CCN1C(=O)c2cccc3c2c(cc(c3)[N+](=O)[O-])C1=O M371990 c1ccc(c(c1)C(c2ccc(cc2)Cl)C(Cl)Cl)Cl M372500 c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO M373425 [2H]C([2H])(C([2H])([2H])O)NCCNc1ccc(c2c1C(=O)c3c(ccc(c3C2=O)O)O)NCCNC([2H])([2H])C([2H])([2H])O M373427 c1cc(c2c(c1O)C(=O)c3c(cc4c(c3C2=O)NCCN4CCO)NCCNCCO)O M373435 CC[C@@H]1CN2CCc3c4c(cccc4OC)[nH]c3[C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC M373550 C[N+]1(CCc2cc(c(cc2[C@H]1Cc3cc(c(c(c3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(Cc5cc(c(cc5[C@H](C4)Cc6cc(c(c(c6)OC)OC)OC)OC)OC)C M385000 COc1cc(cc(c1OC)OC)C[C@H]2C[N+](Cc3c2cc(c(c3)OC)OC)([13CH3])CCCO[13C](=O)CC/C=C/CC[13C](=O)OCCC[N+]4(CCc5cc(c(cc5[C@H]4Cc6cc(c(c(c6)OC)OC)OC)OC)OC)[13CH3] M385002 CN(c1[nH]c(=O)ccn1)C2CCN(CC2)c3nc4ccccc4n3Cc5ccc(cc5)F M385400 c1[nH+]c(c(n1[C@H]2[C@H](C([C@H](O2)CO)O)O)[O-])C(=O)N M385500 CN(C)C(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O M424500 [2H]C([2H])([2H])N(C(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)[O-])C([2H])([2H])[2H].[Na+] M424502 CN(C)C(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)OC M424510 CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)[O-])SC(C)(C)C.[Na+] M425000 c1ccc(cc1)c2cc3c(ccn4c3n[nH]c4=O)nc2c5ccc(cc5)C6(CCC6)N M425025 COc1cc(c(cc1C(=O)OCCN2CCCCC2)Cl)N.Cl M425050 c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@@H](C5)O)COS(=O)(=O)N M425100 c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@@H](C5)OS(=O)(=O)N)COS(=O)(=O)N M425105 COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F M425115 c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F M425125 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)S(=O)CC(=O)N)[2H])[2H] M482502 c1ccc(cc1)C(c2ccccc2)[S@@H](CC(=O)N)O M482505 c1ccc(cc1)C(c2ccccc2)[S@H](CC(=O)N)O M482506 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@@H](CC(=O)N)O)[2H])[2H] M482507 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[S@H](CC(=O)N)O)[2H])[2H] M482508 c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)O M482510 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)S(=O)CC(=O)O)[2H])[2H] M482512 [2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])S(=O)CC(=O)O)[2H])[2H] M482513 COC(=O)CS(=O)C(c1ccccc1)c2ccccc2 M482515 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)S(=O)CC(=O)OC)[2H])[2H] M482517 c1ccc(cc1)C(c2ccccc2)S(=O)(=O)CC(=O)N M482520 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)S(=O)(=O)CC(=O)N)[2H])[2H] M482522 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)Nc3ccccn3)C)c4ccc(cc4)n5c(nc6c5ccnc6)C M482800 [2H]c1c(c(nc(c1[2H])NC(=O)C2=C(NC(=C(C2c3ccccc3Cl)C(=O)OCC)c4ccc(cc4)n5c(nc6c5ccnc6)C)C)[2H])[2H] M482802 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@H]2C(=O)OC(C)(C)C)OC)OC.C(=C\C(=O)O)\C(=O)O M485330 CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@@H]2C(=O)O)OC)OC.Cl M485335 CCOC(=O)[C@H](CCc1ccccc1)N2[C@H](C(=O)N3Cc4cc(c(cc4C[C@H]3C2=O)OC)OC)C M485340 C[C@@H](C(=O)N1Cc2cc(c(cc2C[C@@H]1C(=O)O)OC)OC)N[C@@H](CCc3ccccc3)C(=O)OC.Cl M485345 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@@H]2C(=O)O)OC)OC.Cl M485350 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@@H]2C(=O)O)OC)OC)[2H])[2H] M485352 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@H]2C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC)OC M485355 C[C@@H](C(=O)N1Cc2cc(c(cc2C[C@@H]1C(=O)O)OC)OC)N[C@@H](CCc3ccccc3)C(=O)O M485360 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2Cc3cc(c(cc3C[C@@H]2C(=O)O)OC)OC)[2H])[2H] M485362 C[C@@H](C(=O)N1Cc2cc(c(cc2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)OC)N[C@@H](CCc4ccccc4)C(=O)O M485365 C[C@@H](C(=O)N1Cc2cc(c(cc2C[C@H]1C(=O)OCc3ccccc3)OC)OC)N[C@@H](CCc4ccccc4)C(=O)OC.C(=C\C(=O)O)\C(=O)O M485375 CCOC(=O)CC(=O)N1CCSC1COc2ccccc2OC M486450 CCc1c([nH]c2c1C(=O)C(CC2)CN3CCOCC3)C.Cl M487500 [2H]C1(C(OC(C(N1CC2CCc3c(c(c([nH]3)C)CC)C2=O)([2H])[2H])([2H])[2H])([2H])[2H])[2H] M487502 CCOC(=O)[N-]c1c[n+](no1)N2CCOCC2 M488000 CCOC(=O)[15N-]c1c[15n+]([15n]o1)N2CCOCC2 M488002 [2H]C([2H])([2H])C([2H])([2H])OC(=O)[N-]c1c[n+](no1)N2CCOCC2 M488003 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C M490000 [2H]c1c(c(oc1[2H])C(=O)O[C@@]2([C@@H](C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)Cl)O)C)C)C(=O)CCl)[2H] M490002 CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C M505750 CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@H](C)[C@H](C(C)C(=O)[O-])OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C.[Na+] M515600 C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)O)/C)[C@H](C)O M520500 [2H]C([2H])([2H])/C(=C\C(=O)O)/C([2H])([2H])[C@H]1[C@@H]([C@@H]([C@H](CO1)C[C@H]2[C@@H](O2)[C@@H](C)[C@H](C)O)O)O M520502 c1ccc(cc1)COC(=O)c2ccccc2C(=O)O M524900 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCc2ccccc2)[2H])[2H] M524902 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C M525000 CCCCOC(=O)c1ccccc1C(=O)O M525100 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCC)[2H])[2H] M525102 CCCCOC(=O)c1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O M525105 [2H]c1c(c(c(c(c1[2H])C(=O)OCCCC)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] M525107 c1ccc(c(c1)C(=O)O)C(=O)OCCCCC(=O)O M525320 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCC(=O)O)[2H])[2H] M525322 CCC(CCCC(=O)O)COC(=O)c1ccccc1C(=O)O M525550 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(CC)CCCC(=O)O)[2H])[2H] M525552 c1ccc(c(c1)C(=O)O)C(=O)OCCC(=O)O M525570 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCC(=O)O)[2H])[2H] M525572 CCCCC(CC(=O)O)COC(=O)c1ccccc1C(=O)O M525585 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(CCCC)CC(=O)O)[2H])[2H] M525587 c1ccc(c(c1)C(=O)O)C(=O)OCC(=O)O M525600 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(=O)O)[2H])[2H] M525602 c1ccc(c(c1)C(=O)O)C(=O)OCCCC(=O)O M525635 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCC(=O)O)[2H])[2H] M525637 C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O M526000 C/C(=C\C(=O)NC)/OP(=O)(OC)OC M526050 [2H]C([2H])([2H])OP(=O)(O/C(=C/C(=O)NC)/C)OC([2H])([2H])[2H] M526052 c1ccc(c(c1)C(=O)O)C(=O)OC2CCCCC2 M526600 [2H]C([2H])([2H])Nc1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O M527002 CNc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O M527005 [2H]C([2H])([2H])Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O M527007 CCNCCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl M538000 CNCCc1c[nH]c2c1cc(cc2)Cn3cncn3 M539500 [2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)Cn3cncn3 M539502 CCC(CCCCO)COC(=O)c1ccccc1C(=O)O M542460 CCC(CCCCOC1CCCCO1)COC(=O)c2ccccc2C(=O)O M542470 CCCCC(CC)COC(=O)c1ccccc1C(=O)O M542490 CCCCC(CC)COC(=O)c1ccccc1C(=O)O M542492 CCC(CCC(C)O)COC(=O)c1ccccc1C(=O)O M542510 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(CC)CCC(C)O)[2H])[2H] M542512 CCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)O M542520 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(CC)CCC(=O)C)[2H])[2H] M542522 CCO[13C](=O)[13CH2][13C](=O)O M542525 CCOC(=O)c1ccccc1C(=O)O M542580 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC)[2H])[2H] M542582 CCOC(=O)c1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O M542585 [2H]c1c(c(c(c(c1[2H])C(=O)OCC)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] M542587 c1ccc2c(c1)C[C@H](c3ccccc3N2C(=O)N)O M546300 c1ccc2c(c1)C[C@H](c3ccccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O.[Na+] M546505 c1ccc2c(c1)C[C@@H](c3ccccc3N2C(=O)N)O M546510 c1ccc2c(c1)C[C@@H](c3ccccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O.[Na+] M546515 Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)CO)C#N M547500 CC(CCCOC(=O)c1ccccc1C(=O)O)O M547550 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCC(C)O)[2H])[2H] M547552 CC(C)COC(=O)c1ccccc1C(=O)O M547700 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCC(C)C)[2H])[2H] M547702 CC(=O)O.CNC(=N)NCCC[C@@H](C(=O)O)N M565000 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCC(=O)C)[2H])[2H] M566702 CCCCCOC(=O)c1ccccc1C(=O)O M566740 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCC)[2H])[2H] M566742 C=CCCCOC(=O)c1ccccc1C(=O)O M566750 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCC=C)[2H])[2H] M566752 CC/C=C/COC(=O)c1ccccc1C(=O)O M566765 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OC/C=C/CC)[2H])[2H] M566767 CC/C=C\COC(=O)c1ccccc1C(=O)O M566770 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OC/C=C\CC)[2H])[2H] M566772 C(COP(=O)(O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F M566780 C(COS(=O)(=O)[O-])C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+] M566785 C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F M566800 C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F M566810 C(COP(=O)(O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F M566820 C(COS(=O)(=O)[O-])C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[K+] M566825 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OC(C)C M566970 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OC)OCOC(=O)OC(C)C M566980 CCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C M566985 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O M566990 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)OCOC(=O)OC(C)C M567000 C[C@H](Cn1cnc2c1ncnc2NC(=O)OC(C)C)OCP(=O)(O)OCOC(=O)OC(C)C M567010 CCOP(=O)(COCCn1cnc2c1ncnc2N)OCOC(=O)C(C)(C)C M567050 CCCOC(=O)c1ccccc1C(=O)O M567100 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCC)[2H])[2H] M567102 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)NC(=O)C(CC(=O)O)(CC(=O)O)O M731012 CCOc1cc(c(cc1C(=O)NCC2C[N+](CCO2)(Cc3ccc(cc3)F)[O-])Cl)N M731015 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)NCC2C[N+](CCO2)(Cc3ccc(cc3)F)[O-])Cl)N M731017 CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C M732500 C.CCc1c(c/2[n-]c1/cc/3\nc(/cn/c4c(/nc/c5n/c(c2)/C(=C5C)CCCO)cc(c(c4)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].O.[Lu+5] M732700 C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N/OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C M744800 COc1c2c(cc(c1N3C[C@H]4CCCN[C@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O.Cl M744990 CCCOC(=O)c1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O M567105 [2H]c1c(c(c(c(c1[2H])C(=O)OCCC)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] M567107 CC(CCOC(=O)c1ccccc1C(=O)O)CC(C)(C)C M567200 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)[C@H](Cc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)SCC6(CC6)CC(=O)O)O M567985 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 M567990 CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)[O-])O.[Na+] M567995 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)[O-])O.[Na+] M568000 [2H]C([2H])([2H])C(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)[O-])(C([2H])([2H])[2H])O.[Na+] M568002 [14CH3]C([14CH3])(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O M568003 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C\c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O M568005 CC(=O)O.CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O M568010 [2H]C([2H])([2H])C(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)(C([2H])([2H])[2H])O M568012 CC(CO)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O M568015 CC(C)(c1ccccc1CCC(c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)S(=O)CC5(CC5)CC(=O)O)O M568020 CC(C)(CC(=O)O)CS[C@H](CCc1ccccc1C(C)(C)O)c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl M568025 CC(=C)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O M568030 CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)S(=O)(=O)CC5(CC5)CC(=O)O)O M568035 CC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O M568040 CC(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)(C(=O)O)O M568045 CC1(c2ccccc2CCC(O1)c3cccc(c3)/C=C/c4ccc5ccc(cc5n4)Cl)C M568050 Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O M610500 [2H]c1c(c(c(c(c1C)[2H])[2H])C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)[2H] M610502 CC(CN1CCOCC1)C(c2ccccc2)(c3ccccc3)C(=O)N4CCCC4 M630200 [2H]C1(C(C(N(C1([2H])[2H])C(=O)C(c2ccccc2)(c3ccccc3)C(C)CN4CCOCC4)([2H])[2H])([2H])[2H])[2H] M630202 Cc1c(c(=O)n(n1C)c2ccccc2)CN3CCOC(C3C)c4ccccc4.Cl M630800 [2H]C([2H])([2H])n1c(c(c(=O)n1c2ccccc2)CN3CCOC(C3C)c4ccccc4)C.Cl M630802 c1cc(ccc1/N=N/c2ccc(c(c2)C(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+] M635000 CCOC(=O)C1(CCN(CC1)CCN2CCOCC2)c3ccccc3 M651800 [2H]C1(CC(CC(N1CCN2CCOCC2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H] M651802 C.CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O.OS(=O)(=O)O M652290 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O M652292 [2H][C@H]1C([C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H](C5)N1C([2H])([2H])[2H])O)O)([2H])[2H] M652293 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O M652300 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O M652302 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O M652305 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)O)O)O)O)O M652310 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)O)O)O)O)O M652312 C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O)[O-] M652315 [2H]C([2H])([2H])[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O)[O-] M652317 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OS(=O)(=O)O M652320 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c4c2O[C@@H]5[C@]46CCN([C@@H](C3)[C@@H]6C=C[C@@H]5O)C)C(=O)OC)OC(=O)C M652325 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@H]3[C@@H]1C5)O M652350 [13CH2]1[13CH2]O[13CH2][13CH2]N1 M723727 [2H]C1(C(OC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H] M723728 C1COCCN1[13CH]=O M723742 C1COCCN1CCO M723750 [2H]C([2H])(C([2H])([2H])O)N1CCOCC1 M723752 c1cc(ncc1C=O)N2CCOCC2 M723755 c1ccc(c(c1)C=O)N2CCOCC2 M723760 c1ccc2c(c1)cccc2C(=O)c3cn(c4c3cccc4)CCN5CCOCC5 M723765 [2H]C([2H])(C([2H])([2H])N1CCOCC1)n2cc(c3c2cccc3)C(=O)c4cccc5c4cccc5 M723767 c1cc(ccc1CN2CCOCC2)N M723770 Cc1cc(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CN3CCOCC3)O M723780 [2H]C([2H])(c1c(cc(c2c1CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O)N3CCOCC3 M723790 c1cc(ccc1CN2CCOCC2)C(=O)CC#N M723830 c1c(on[n+]1N2CCOCC2)N.[Cl-] M725000 c1c(o[15n][15n+]1N2CCOCC2)[15NH2].[Cl-] M725002 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O)C(=O)OC2OCCN4CCOCC4 M725050 c1ccc(cc1)SC[C@@H](CC(=O)N2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)N M725105 [2H]C1(C(OC(C(N1C(=O)C[C@H](CSc2ccccc2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)N)([2H])[2H])([2H])[2H])([2H])[2H])[2H] M725107 c1ccc(cc1)SC[C@@H](CCN2CCOCC2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)N M725130 CC(C)(C)NC[C@H](COc1c(nsn1)N2CCOCC2)Oc3c(nsn3)N4CCOCC4 M725155 CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)Oc3c(nsn3)N4CCOCC4 M725160 CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O M730995 CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)N M731000 [2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)N M731002 CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)Cc3ccc(cc3)F)Cl)NC(=O)C(CC(=O)O)(CC(=O)O)O M731010 COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O.O.Cl M745000 [2H]C1([C@@H]2CCCN[C@@H]2C(N1c3c(cc4c(c3OC)n(cc(c4=O)C(=O)O)C5CC5)F)([2H])[2H])[2H].Cl M745002 [2H][13C]([2H])([2H])Oc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O.Cl M745003 COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O M745010 [2H]C1([C@@H]2CCCN[C@@H]2C(N1c3c(cc4c(c3OC)n(cc(c4=O)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)C6CC6)F)([2H])[2H])[2H] M745012 COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)OC M745020 COc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)S(=O)(=O)[O-])F)c(=O)c(cn2C5CC5)C(=O)[O-].[Na+].[Na+] M745030 [2H][13C]([2H])([2H])Oc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)S(=O)(=O)[O-])F)c(=O)c(cn2C5CC5)C(=O)[O-].[Na+].[Na+] M745032 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)[C@@H](c4ccc(cc4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+] M745600 Cc1nc(c(c(n1)Cl)NC2=NCCN2)OC M745800 [2H]C1(C(N=C(N1)Nc2c(nc(nc2Cl)C)OC)([2H])[2H])[2H] M745802 CCN1CCCc2c1cc3c(c2)nc4cc5c(cc4[o+]3)N(CCC5)CCCC(=O)O M750100 C[C@H]1CN([C@H](CN([C@H](CN([C@H](CN1[C@@H](C)C(=O)O)C)[C@@H](C)C(=O)O)C)[C@@H](C)C(=O)O)C)[C@@H](C)C(=O)NCCSSc2ccccn2 M755300 C1C(CCC2(C1)OOC3(OO2)[C@H]4C[C@H]5C[C@@H]3C[C@@H](C4)C5)CC(=O)O M755500 CN/N=N/c1c(nc[nH]1)C(=O)N M760000 [2H]C([2H])([2H])N/N=N/c1c(nc[nH]1)C(=O)N M760002 C(=O)/C(=C(\C(=O)O)/Cl)/Cl M790800 [2H]/C(=C(\C(=O)O)/[2H])/C(=C(/C(=O)O)\[2H])/[2H] M791000 C(=C/C(=O)O)\C=C\C(=O)O M791001 C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O M794000 [2H]C([2H])([2H])C(c1cccc2c1cccc2)N N378352 [2H]C([2H])([2H])C(c1cccc2c1cccc2)N=[N+]=[N-] N378362 c1ccc2c(c1)cccc2OC[C@H]3CO3 N378390 c1ccc2c(c1)cccc2OC[C@@H]3CO3 N378395 c1ccc2c(c1)cccc2OCC3CO3 N378400 COC(=C(C#N)C#N)c1cccc2c1cccc2 N378650 CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3CCN(CC3)C.Cl N378730 [2H]C([2H])([2H])N1CCC(CC1)c2c[nH]c3c2cc(cc3)CCS(=O)(=O)NC.Cl N378732 CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3CC[N+](CC3)(C)[O-] N378740 CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)O N378770 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CN(CC(=O)O)C(=O)Oc4ccc(cc4)OC M796500 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)CN(CC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)C(=O)Oc5ccc(cc5)OC M796510 C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1N)O)CO)O M800000 Cc1c(c(c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-] M800200 c1ccc(cc1)[N-][N-]C(=S)/N=N/c2ccccc2.c1ccc(cc1)[N-][N-]C(=S)/N=N/c2ccccc2.[Hg+4] M800600 C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[I-] M814000 [2H]C([2H])([2H])[N+](C[C@@H]1C[C@H]([C@@H](O1)C)O)(C([2H])([2H])[2H])C([2H])([2H])[2H].[I-] M814002 c1c(onc1O)CN M815000 [2H]C([2H])(c1cc(no1)O)[15NH2].Cl M815002 c1c(onc1O)CN.Br M815010 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O)C(=O)OC2 M831450 [2H]C([2H])(C([2H])([2H])OC(=O)CC/C(=C/Cc1c(c2c(c(c1OC)C)COC2=O)O)/C)N3CCOCC3 M831452 Cc1c2c(c(c(c1OC)C/C=C(/C)\CCC(=O)OCCN3CCOCC3)O)C(=O)OC2 M831455 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(=O)OC2 M831460 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OCC[N+]3(CCOCC3)[O-])O)C(=O)OC2 M831470 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)O)C(=O)OC2 M831500 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)O)O)C(=O)OC2)C M831502 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(=O)OC2 M831510 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)C(=O)OCC=C)O)O)O)O)C(=O)OC2 M831515 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)OC2 M831520 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)OC2)C M831522 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(=O)OC2 M831525 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(=O)OC2)C M831527 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC2 M831530 Cc1c2c(c(c(c1OC)CC[C@]3(CCC(=O)O3)C)O)C(=O)OC2 M831535 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)C(=O)OC2 M831540 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)C(=O)OC2)C M831542 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC2 M831545 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)OC([2H])([2H])[2H])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC2)C M831547 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC2 M831550 Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)OCCCCC(=O)O)C(=O)OC2 M831555 c1ccnc(c1)C2=NCCC2 M834975 c1cc(cnc1)C2=NCCC2 M835000 [2H]c1c(c(c(nc1[2H])[2H])C2=NCCC2)[2H] M835010 CC(=CCCC(=C)C=C)C M875300 [2H]C([2H])([2H])C(=CCCC(=C)C=C)C([2H])([2H])[2H] M875302 c1cc(c(c(c1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O)O M884100 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4cc(c(c(c4)O)O)O)O)O)O)O)O M884110 CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H](C(CO)(C(=O)O)N)O)O M884400 COc1cc(cc2c1OCO2)CC=C M884600 CCCCCCCCCCCCCC(=O)OCC(CCl)O M884750 CCCCCCCCCCCCCC(=O)OC(CO)CCl M884755 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCC)O M884757 CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-] M885000 CC1([C@H]2CC=C([C@@H]1C2)COC(=O)C(C)(C)C)C M885060 CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@@H]3[C@H]2CC(=O)CC3)(C)C)O N199990 [2H]C([2H])([2H])C1([C@H]2CCC(=O)C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCC)O)C([2H])([2H])[2H] N199992 CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=O)CC3)(C)C)O N200000 [2H]C([2H])([2H])C1([C@@H]2CCC(=O)C[C@H]2c3c(cc(cc3O1)C(C)(C)CCCCCC)O)C([2H])([2H])[2H] N200002 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)CCC(=O)C N200500 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)CCC(=O)C N200502 COc1ccc2cc(ccc2c1)CCC(=O)CCc3ccc4cc(ccc4c3)OC N200515 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)CCC(=O)CCc3ccc4cc(ccc4c3)OC([2H])([2H])[2H] N200517 CC1CCc2c3n1cc(c(=O)c3cc(c2N4CCC(CC4)O)F)C(=O)O N200700 CC(C)(C)NCC(COc1ccc2c(c1)CC(C(C2)O)O)O N201050 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1ccc2c(c1)CC(C(C2)O)O)O N201052 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N.[Na+].[Na+] N201480 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[13CH2][13C@@H]4[13C@H]([13C@H]([13C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N.[Na+].[Na+] N201482 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+] N201500 [2H][C@H]1C=CN(C=C1C(=O)N)[C@H]2[C@H](C([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3C([C@@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O N201502 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[13CH2][13C@@H]4[13C@H]([13C@H]([13C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+] N201503 c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N N210000 CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] N211500 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] N211502 COc1ccc2c(c1)CCC(=C2c3ccc(cc3)OCCN4CCCC4)c5ccccc5.Cl N212800 [2H]c1c(c(c(c(c1[2H])[2H])C2=C(c3ccc(cc3CC2)OC)c4ccc(cc4)OCCN5CCCC5)[2H])[2H].Cl N212802 CN(C/C=C/c1ccccc1)Cc2cccc3c2cccc3.Cl N213100 [2H]C([2H])([2H])N(C/C=C/c1ccccc1)Cc2cccc3c2cccc3.Cl N213102 COc1ccccc1N2CCN(CC2)CC(COc3cccc4c3cccc4)O N213500 COc1ccccc1N2CCN(CC2)CC(COc3cccc4c3cccc4)O N213501 CCN(CC)CCOC(=O)C(Cc1cccc2c1cccc2)CC3CCCO3 N215000 [2H]C([2H])(C([2H])([2H])OC(=O)C(Cc1cccc2c1cccc2)CC3CCCO3)N(CC)CC N215002 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@H](CC5)O)O)O N232500 [2H][C@@]1(CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C([2H])([2H])C6CCC6)O)O)O N232502 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@@H](CC5)O)O)O.Cl N232505 [2H][C@]1(CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C([2H])([2H])C6CCC6)O)O)O.Cl N232507 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@H](CC5)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O N232510 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@H](CC5)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O)O N232515 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CCC6)[C@@H](O2)[C@H](CC5)O)O)OS(=O)(=O)O N232525 COP(=O)(OC)OC(C(Cl)(Cl)Br)Br N245300 [2H]C([2H])([2H])OP(=O)(OC(C(Cl)(Cl)Br)Br)OC([2H])([2H])[2H] N245302 CN([C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O)C(=O)/C=C/c7ccoc7.Cl N255600 [2H]C([2H])([2H])N([C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O)C(=O)/C=C/c7ccoc7.Cl N255602 CCn1cc(c(=O)c2c1nc(cc2)C)C(=O)O N275600 [2H]C([2H])([2H])C([2H])([2H])n1cc(c(=O)c2c1nc(cc2)C)C(=O)O N275602 C=C1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O N284400 [2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3C(=C)CC[C@]4([C@H]2C6)O)O N284402 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O.Cl N284450 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O)[2H].Cl N284452 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@]3([C@H]1C5)O)O)O.Cl N284500 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@]3([C@H]1C5)O)O)O)[2H].Cl N284502 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@H]1C5)O)O)O.Cl N284505 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@H]1C5)O)O)O)[2H].Cl N284507 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@H]1C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O N284510 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O N284515 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O.Cl N285000 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)[2H] N285002 CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@]5(CCC4=O)OC(=O)C)CC=C N285005 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O N285010 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)[2H] N285012 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6(CCC5=O)O)CC=C)C(=O)OC)OC(=O)C N285015 [2H]C(=C([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC)[2H] N285022 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OS(=O)(=O)[O-].[Na+] N285025 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)[C@H](CC5)O)O)O N285695 [2H][C@]12[C@@](C(C[C@@]3([C@]14CCN([C@@H]3Cc5c4c(c(cc5)O)O2)CC6CC6)O)([2H])[2H])([2H])O N285697 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)[C@@H](CC5)O)O)O N285700 [2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@@H]3Cc5c4c(c(cc5)O)O2)CC6CC6)O)([2H])[2H])([2H])O N285702 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)[C@@H](CC5)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O.[Na+] N285710 [2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@@H]3Cc5c4c(c(cc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O2)CC7CC7)O)([2H])[2H])([2H])O N285712 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6(CC[C@H]5O)O)CC7CC7)C(=O)OC)OC(=O)C N285715 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O.[Cl] N285750 [2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3C(=O)CC[C@]4([C@H]2C6)O)O N285752 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O N285760 [2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3C(=O)CC[C@]4([C@H]2C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O N285762 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5(CCC4=O)O)CC6CC6 N285765 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6(CCC5=O)O)CC7CC7)C(=O)OC)OC(=O)C N285770 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@H]34 N314995 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34 N315000 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@H]34)C)O N315002 CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C N315020 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C N315022 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 N315030 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCc4ccccc4)CCC5=CC(=O)CC[C@H]35 N315045 CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C N315070 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C N315072 C[C@@H](c1cccc(c1)O)N(C)C N325000 [2H]C([2H])([2H])N([C@@H](C)c1cccc(c1)O)C([2H])([2H])[2H] N325002 C[C@H](c1cccc(c1)O)N(C)C N325005 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])C=O)[2H])[2H] N344802 [2H]c1c(c(c2c(c1[2H])c(c(c(c2C(=O)O)[2H])[2H])[2H])[2H])[2H] N345252 c1cc[13c]2[13cH][13cH][13cH][13cH][13c]2c1 N345602 [13cH]1[13cH][13cH][13c]2[13cH][13cH][13cH][13cH][13c]2[13cH]1 N345603 c1c[13c]2[13cH][13cH][13cH][13cH][13c]2cc1C(=O)O N345642 c1ccc2cc(c(cc2c1)C=O)C=O N356000 c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O N356020 c1ccc2cc(ccc2c1)S(=O)(=O)NCC(=O)NC(Cc3ccc(cc3)C(=N)N)C(=O)N4CCCCC4 N359250 CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc2ccccc2c1 N359260 c1ccc(cc1)C(CCOc2cccc3c2cccc3)O N359290 c1ccc(cc1)C(=O)CCOc2cccc3c2cccc3 N359300 COc1ccccc1NC(=O)c2cc3cc(ccc3cc2OP(=O)([O-])[O-])Br.[Na+].[Na+] N367975 c1ccc2c(c1)cccc2O N367990 [13cH]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13c]2O N367992 c1ccc2c(c1)cccc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O N368000 c1ccc2cc(ccc2c1)O N368015 [13cH]1[13cH][13cH][13c]2[13cH][13c]([13cH][13cH][13c]2[13cH]1)O N368017 c1ccc2cc3c4cccc5c4c6c(cccc6c3cc2c1)cc5 N368020 c1ccc2c(c1)cccc2C(=O)c3c[nH]c4c3cccc4 N368025 c1ccc2c(c1)cccc2C(=O)c3cc[nH]c3 N368100 c1ccc2c(c1)cccc2C(=O)C(C#N)C#N N368350 c1ccc2cc(ccc2c1)CCOc3nc(c4c(n3)n(cn4)[C@H]5[C@H](C([C@H](O5)CO)O)O)N N368400 c1ccc2cc(ccc2c1)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)O N368500 c1ccc2cc(ccc2c1)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O N368505 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3ccccc3c2)OC(=O)C)OC(=O)C)OC(=O)C N368510 CC(=C)C(=O)OCCc1cccc2c1cccc2 N372500 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CO)[2H])[2H] N372552 CC(=C)C(=O)OCc1cccc2c1cccc2 N372600 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC)[2H])[2H] N372952 c1c[nH]c2cnccc2c1=O N373500 C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O N377510 C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O N377515 C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OCc4ccccc4)O)O)O N377518 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O N377520 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)[O-].[Na+] N377525 CC(c1ccc2cc(ccc2c1)OC)C(=O)O N377526 CC(c1ccc2cc(ccc2c1)OC)C(=O)O N377527 [2H][13C]([2H])([2H])C(c1ccc2cc(ccc2c1)OC)C(=O)O N377528 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O N377530 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OCc4ccccc4)O)O)O N377533 [2H]C([2H])([2H])C(c1ccc2cc(ccc2c1)OC)C(=O)OC N377537 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O N377540 CCOC(=O)[C@@H](C)c1ccc2cc(ccc2c1)OC N377545 [2H]C([2H])([2H])C([2H])([2H])OC(=O)[C@@H](C)c1ccc2cc(ccc2c1)OC N377547 C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)OC N377550 [2H]C([2H])([2H])Oc1ccc2cc(ccc2c1)[C@H](C)C(=O)OC([2H])([2H])[2H] N377552 c1ccc2c(c1)C(=O)C=CC2=O N377690 CCCC(C(=O)c1cccc2c1cccc2)N3CCCC3.Cl N377692 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2cccc3c2cccc3)([2H])[2H])([2H])[2H])[2H].Cl N377700 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2ccc3ccccc3c2)([2H])[2H])([2H])[2H])[2H].Cl N377702 c1ccc2c(c1)cccc2CC(=O)Oc3ccc(cc3)[N+](=O)[O-] N377770 c1ccc2c(c1)cccc2CC(=O)NCCCNCCCCNCCCN N377800 c1ccc2cc(ccc2c1)N N378010 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])N)[2H])[2H])[2H] N378012 c1c[13c]2[13cH][13cH][13cH][13cH][13c]2cc1N N378013 c1ccc2c(c1)cccc2N N378015 c1ccc2c(c1)cccc2CCCl N378100 c1ccc2c(c1)cccc2CCO N378325 C[C@H](c1cccc2c1cccc2)N[C@@H]3CCCC[C@H]3NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-] N378340 CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC(=C)Br N378800 [2H]C([2H])([2H])C([2H])(C1(C(=O)NC(=O)N(C1=O)C)CC(=C)Br)C([2H])([2H])[2H] N378802 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O N378950 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O N378960 [2H]C([2H])([2H])OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C N390062 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C)[2H])[2H] N390063 c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)N N390080 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cccc(c2N)CC(=O)N)[2H])[2H] N390082 [2H]c1c(c(oc1/C=[15N]/[15NH]C(=O)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[2H] N458702 CC1CS(=O)(=O)CCN1/N=C/c2ccc(o2)[N+](=O)[O-] N458800 Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F N465300 [2H]C([2H])([2H])c1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C)C(F)(F)F N465302 Cc1ccc(cc1Nc2nccc(n2)c3ccc[n+](c3)[O-])C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F N465310 CC1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C N467500 [2H]C([2H])([2H])C1(C(=O)N(C(=O)N1)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])C([2H])([2H])[2H] N467502 CC1=C(C(C(=C(N1)C#N)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C N475150 CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4OC(=O)C)[C@](C=CC5=O)(C)C=O)C)CC(=O)OC)C N476210 CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)O)C)CC(=O)O)C N476250 CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C N476280 CC1=C2C(CC1c3ccoc3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C N476300 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-] N477500 [2H]c1c(c(c(c(c1[2H])[2H])Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-])[2H])[2H] N477502 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)[N+](=O)[O-] N477800 [2H]C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3)[N+](=O)[O-] N477802 CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC N478200 C1CC(CNC1)C(=O)O N478400 CC\1(c2cc(ccc2N(/C1=C\C=C\C=C\C3=[N+](c4ccc5ccccc5c4C3(C)C)CCCCS(=O)(=O)[O-])C)CNC(=O)CI)C N481500 CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)c2ccccc2[N+](=O)[O-])C(=O)OC N489125 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O N378965 C[C@H]1[C@@H](C([C@H](C(O1)OC2[C@H]([C@@H](C(O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O N378980 C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O N379100 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)Cc2ccccc2)C N379365 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)Cc2ccccc2)C N379375 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)C(=O)O)[2H])[2H] N379377 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)Cc3ccccc3)C N379380 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(=O)O[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(=O)O)Cc3ccccc3)C N379385 CC([C@H]1CC[C@@H](CC1)C(=O)NC(C(=O)O[C@@H]2OC([C@H](C([C@@H]2O)O)O)C(=O)OCc3ccccc3)Cc4ccccc4)C N379390 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@H](C(=O)O[C@@H]2OC([C@H](C([C@@H]2O)O)O)C(=O)OCc3ccccc3)Cc4ccccc4)C N379395 CCCN1CCO[C@H]2[C@H]1CCc3c2cc(cc3)O.Cl N379800 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCO[C@H]2[C@H]1CCc3c2cc(cc3)O.Cl N379802 CCCN1CCO[C@@H]2[C@@H]1CCc3c2cc(cc3)O.Cl N379805 CCOC(=O)[C@H](NC(=O)[C@H]1CC[C@@H](CC1)C(C)C)Cc2ccccc2 N379810 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)C(=O)OCC)[2H])[2H] N379812 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCNc1ccc(c2c1non2)[N+](=O)[O-])O N381250 c1cc(c2c(c1NCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O)non2)[N+](=O)[O-] N381270 c1cc(c2c(c1NCCCCCC(=O)O)non2)[N+](=O)[O-] N381280 c1ccc2c(c1)CCC/C(=C\C(=O)[O-])/C2O.[Na+] N385000 C1[C@H](C([C@H]([C@@H](C1N)O[C@@H]2C([C@H]([C@@H](C(O2)CN)O)O)N)O)O)N N386000 c1cc2c(cc1F)CCC(O2)C(CNCC(C3CCc4cc(ccc4O3)F)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O N387880 c1cc2c(cc1F)CC[C@H](O2)[C@@H](CNC[C@H]([C@H]3CCc4cc(ccc4O3)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O.c1cc2c(cc1F)CC[C@@H](O2)[C@@H](CNC[C@H]([C@@H]3CCc4cc(ccc4O3)F)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O N387885 c1cc2c(cc1F)CC[C@@H](O2)[C@H](CNC[C@@H]([C@@H]3CCc4cc(ccc4O3)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O.c1cc2c(cc1F)CC[C@H](O2)[C@H](CNC[C@@H]([C@H]3CCc4cc(ccc4O3)F)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O N387890 c1cc2c(cc1F)CC[C@@H](O2)[C@H](CNC[C@@H]([C@@H]3CCc4cc(ccc4O3)F)O)O N387895 c1cc2c(cc1F)CC[C@@H](O2)[C@@H](CNC[C@H]([C@@H]3CCc4cc(ccc4O3)F)O)O N387896 [2H]C([2H])([C@@H]([C@H]1CCc2cc(ccc2O1)F)O)NC([2H])([2H])[C@@H]([C@@H]3CCc4cc(ccc4O3)F)O.Cl N387897 [2H]C([2H])([C@H]([C@H]1CCc2cc(ccc2O1)F)O)NC([2H])([2H])[C@H]([C@@H]3CCc4cc(ccc4O3)F)O.Cl N387898 c1cc2c(cc1F)CCC(O2)C(CNCC(C3CCc4cc(ccc4O3)F)O)O.Cl N387900 [2H]C1(c2cc(ccc2OC(C1([2H])[2H])C(CNCC(C3C(C(c4cc(ccc4O3)F)([2H])[2H])([2H])[2H])O)O)F)[2H] N387902 [2H]C([2H])(C(C1CCc2cc(ccc2O1)F)O)NC([2H])([2H])C(C3CCc4cc(ccc4O3)F)O N387903 c1cc2c(cc1F)CC[C@H](O2)[C@@H](CNC[C@H]([C@@H]3CCc4cc(ccc4O3)F)O)O N387910 C1[C@H](C(C([C@@H](C1N)O[C@@H]2C(C[C@@H](C(O2)CN)O)N)O)O)N N388250 c1c2c(ncn1)n(cn2)[C@H]3C([C@H]([C@H](O3)CO)O)O N388500 COc1c(nccn1)NS(=O)(=O)c2ccc(cc2)NC(=O)/C=C/c3ccc(s3)[N+](=O)[O-] N388600 [2H]c1c(c(c(c(c1NC(=O)/C=C/c2ccc(s2)[N+](=O)[O-])[2H])[2H])S(=O)(=O)Nc3c(nccn3)OC)[2H] N388602 COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[C@@H]4c5c(c6ccccc6[nH]5)C[C@@H](N4)C(=O)O N388750 [2H]C1(C(N(C(C(N1Cc2cc(ccc2OC)[C@@H]3c4c(c5ccccc5[nH]4)C[C@@H](N3)C(=O)O)([2H])[2H])([2H])[2H])c6ccccc6F)([2H])[2H])[2H] N388752 CCc1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl.Cl N389100 [2H]C([2H])(C([2H])([2H])n1c(=O)n(c(n1)CC)CCOc2ccccc2)C([2H])([2H])N3CCN(CC3)c4cccc(c4)Cl.Cl N389102 CN1CCOC(c2ccccc2C1)c3ccccc3.Cl N389400 [2H]C([2H])([2H])N1CCOC(c2ccccc2C1)c3ccccc3.Cl N389402 C[N+]1(CCOC(c2ccccc2C1)c3ccccc3)[O-] N389415 [2H]C([2H])([2H])[N+]1(CCOC(c2ccccc2C1)c3ccccc3)[O-] N389417 COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O N389650 Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O N389750 [2H]C([2H])([2H])c1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O N389752 Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO)O N389760 Cc1c(cccc1O)C(=O)N[C@@H](CS(=O)(=O)c2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O N389765 Cc1c(cccc1O)C(=O)N[C@@H](CS(=O)c2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O N389770 CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OCC)C)C N389800 [2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC([2H])([2H])C([2H])([2H])[2H])C)C N389802 C[C@H]1[C@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl N389825 C[C@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl N389830 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3C)NC(=O)CCl)(C)C)CCCS(=O)(=O)[O-])S(=O)(=O)[O-])C.[K+] N389910 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3C)NC(=O)CSS(=O)(=O)C)(C)C)CCCS(=O)(=O)[O-])S(=O)(=O)[O-])C.[K+] N389925 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O N389940 [2H]C([2H])([2H])Oc1ccc(cc1O)c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)O N389942 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(c(c4)O)OC)O)CO)O)O)O)O)O N389950 [2H]C([2H])([2H])Oc1ccc(cc1O)CCC(=O)c2c(cc(cc2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)O N389952 C1[C@H](C([C@H]([C@@H](C1N)O[C@@H]2C([C@H]([C@@H](C(O2)CN)O)O)N)O[C@H]3[C@H](C([C@H](O3)CO)O[C@@H]4C([C@H]([C@@H](C(O4)CN)O)O)N)O)O)N N389975 C1[C@H](C([C@H]([C@@H](C1N)O[C@@H]2C([C@H]([C@@H](C(O2)CN)O)O)N)O[C@H]3[C@H](C([C@H](O3)CO)O[C@@H]4C([C@H]([C@@H](C(O4)CN)O)O)N)O)O)N N389977 CC(C)(C)CSS(=O)(=O)C N389995 CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C N390000 c1c(nc-2c(=O)nc(nc2[nH]1)N)[C@@H]([C@@H](CO)O)O N390005 [13cH]1[13c](nc-2c(=O)nc(nc2[nH]1)N)[13C@@H]([13C@@H]([13CH2]O)O)O N390007 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C.[Br-] N390010 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C.COS(=O)(=O)[O-] N390020 C(CCC(O)(P(=O)(O)O)P(=O)(O)[O-])CCN.[Na+] N390025 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)OC3CC[C@@H]([C@H](O3)C)N(C)C N390040 CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC N390060 CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4 N390090 [2H]C([2H])([2H])N(C/C=C/C(=O)Nc1cc2c(cc1OCC)ncc(c2Nc3ccc(c(c3)Cl)OCc4ccccn4)C#N)C([2H])([2H])[2H] N390092 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O N390100 CCN[C@@H]1C[C@@H]([C@H](C([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N N390800 CCCSc1ccc(c(c1)/N=C(/NCCS(=O)(=O)O)\NC(=O)OC)[N+](=O)[O-] N390900 Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4 N391275 [2H]C1(C(C1([2H])N2c3c(cccn3)C(=O)Nc4c2nccc4C)([2H])[2H])[2H] N391277 [2H]C([2H])([2H])c1ccnc2c1NC(=O)c3cccnc3N2C4CC4 N391278 Cc1ccnc2c1NC(=O)c3ccc(nc3N2C4CC4)c5ccc6c(n5)N(c7c(c(ccn7)C)NC6=O)C8CC8 N391290 CN(CCC(c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O.Cl N392500 CC.CC N393000 CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC.Cl N394500 [2H]C([2H])([2H])N(CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)C)Cc3ccccc3.Cl N394502 c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl.O N395500 c1cc(cnc1)C(=O)NCCO[N+](=O)[O-] N398500 [2H]c1c(c(c(nc1[2H])[2H])C(=O)NCCO[N+](=O)[O-])[2H] N398502 c1cnccc1C(=O)NCCO[N+](=O)[O-] N398510 c1cc(c[n+](c1)[O-])C(=O)NCCO[N+](=O)[O-] N398530 CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC N399500 [2H]C([2H])([2H])Oc1cc(nc(n1)NC(=O)NS(=O)(=O)c2c(cccn2)C(=O)N(C)C)OC([2H])([2H])[2H] N399502 c1cc(cnc1)c2ccnc(c2)c3cccnc3 N401200 c1cc(cnc1)C(=O)N.C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O N407720 c1cc(cnc1)C(=O)N N407750 [2H]c1c(c(c(nc1[2H])[2H])C(=O)N)[2H] N407752 [2H]c1c(c(c(nc1[2H])[2H])C(=O)N)[2H] N407753 c1cc(c[n+](c1)[O-])C(=O)N N407760 [2H]c1c(c(c([n+](c1[2H])[O-])[2H])C(=O)N)[2H] N407762 c1cc(c[n+](c1)[C@H]2C([C@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N N407765 c1cc(c[n+](c1)[13C@H]2[13CH]([13C@@H]([13C@H](O2)[13CH2]OP(=O)(O)[O-])O)O)C(=O)N N407767 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.C(F)(F)(F)S(=O)(=O)[O-] N407770 [2H]c1c(c(c([n+](c1[2H])[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[2H])C(=O)N)[2H].C(F)(F)(F)S(=O)(=O)[O-] N407772 c1cc(c[n+](c1)[C@H]2C([C@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@@H](C([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N N407775 C1CN([C@H]1C(=O)O)CC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N N408500 CN1CCCC1c2cccnc2 N412420 CN1CCC[13CH]1[13c]2[13cH][13cH][13cH]n[13cH]2 N412421 [2H]C1(CCN(C1([2H])c2cccnc2)C)[2H] N412423 [2H][13C]([2H])([2H])N1CCCC1c2cccnc2 N412424 [2H]C([2H])([2H])N1CCCC1c2cccnc2 N412425 [2H]c1c(c(c(nc1[2H])[2H])C2CCCN2C)[2H] N412427 CN1CCC[C@@H]1c2cccnc2 N412430 CN1CCC[C@H]1c2cccnc2 N412450 CN1CCC[C@H]1c2cccnc2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O N412455 CN1CCCC1c2ccccn2 N412500 CN1CCC[C@H]1c2cc(cnc2)C=O N413775 CN1CCC[C@H]1c2ccc[n+](c2)[C@H]3[C@@H]([C@H](C=C(O3)C(=O)[O-])O)O N414250 [2H]C([2H])([2H])N1CCC[C@H]1c2ccc[n+](c2)[C@H]3[C@@H]([C@H](C=C(O3)C(=O)[O-])O)O N414255 C[N+]1(CCC[C@H]1c2ccc[n+](c2)[O-])[O-] N415000 CN1CCCC1c2ccccn2 N417400 CN1CCC[C@H]1c2cccnc2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O N417500 Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN1CCC[C@@H]1c2cccnc2 N422000 Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN1CCC[C@H]1c2cccnc2 N422001 CN1CCCC1c2ccc[n+](c2)[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O.Br.[Br-] N424565 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[n+]2cccc(c2)C3CCCN3C)OC(=O)C)OC(=O)C)OC(=O)C.Br.[Br-] N424570 CN1CCC[C@H]1c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O N424575 [2H]C([2H])([2H])N1CCC[C@H]1c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O N424595 C[N+]1=CCC[C@H]1c2cccnc2.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O N425750 C[N@+]1(CCCC1c2cccnc2)[O-] N427490 [2H]C([2H])[2H].c1cc(cnc1)[C@@H]2CCC[N@H+]2[O-] N427492 C[N@@+]1(CCC[C@H]1c2cccnc2)[O-] N427500 C[N+]1(CCC[C@H]1c2cccnc2)[O-] N427510 CN1CCC[C@H]1c2ccc[n+](c2)[O-] N428000 CN1CCC[C@H]1c2cccnc2.c1ccc(c(c1)C(=O)O)O N428010 [2H]c1ccncc1C(=O)O N429247 [2H]c1cc(c(nc1[2H])[2H])C(=O)O N429248 c1cc(cnc1)C(=O)O N429250 [2H][13c]1[13c]([13c]([13c](n[13c]1[2H])[2H])[13C](=O)O)[2H] N429251 [13cH]1[13cH][13c]([13cH]n[13cH]1)[13C](=O)O N429252 [2H]c1c(c(c(nc1[2H])[2H])C(=O)O)[2H] N429253 c1cc(cnc1)C(=O)ON2C(=O)CCC2=O N429255 [2H][13c]1[13c]([13c]([13c](n[13c]1[2H])[2H])[13C](=O)ON2C(=O)CCC2=O)[2H] N429257 c1cc(cnc1)C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O N429260 c1cc(cnc1)C(=O)OCCN N429280 C/[N+](=C\c1cc(cnc1)C(=O)OC)/[O-] N429350 c1cc(c[n+](c1)[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)[O-] N429390 c1cc(c[n+](c1)[13C@H]2[13CH]([13C@@H]([13C@H](O2)[13CH2]OP(=O)(O)O)O)O)C(=O)[O-] N429392 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)[O-] N429400 [2H]c1c(c(c([n+](c1[2H])[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[2H])C(=O)[O-])[2H] N429402 COC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O.C(F)(F)(F)S(=O)(=O)[O-] N429405 [2H]c1c(c(c([n+](c1[2H])[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[2H])C(=O)OC)[2H].C(F)(F)(F)S(=O)(=O)[O-] N429407 c1ccc(cc1)NC(=O)c2cccnc2 N429800 c1cc(cnc1)C(=O)Cl.Cl N431250 [2H]c1c(c(c(nc1[2H])[2H])C(=O)C2CCNC2=O)[2H] N431575 c1cc(cnc1)C(=O)NCC(=O)O N433500 [2H]c1c(c(c(nc1[2H])[2H])C(=O)NCC(=O)O)[2H] N433502 Cn1cccc1c2cccnc2 N445000 Cn1cccc1c2cccnc2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O N445005 CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2[N+](=O)[O-])C(=O)OC N457000 [2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C N457002 Cn1c(cc(=O)n(c1=O)C)NCCN(CCCc2ccc(cc2)[N+](=O)[O-])CCO.Cl N457100 c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F N457500 [2H]c1cc(cc(c1[2H])Nc2c(c(c(c(n2)[2H])[2H])[2H])C(=O)O)C(F)(F)F N457502 CSCC1CN(C(=O)O1)/N=C/c2ccc(o2)[N+](=O)[O-] N458250 c1cc(ccc1C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-])O N458500 [2H]c1c(c(c(c(c1C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-])[2H])[2H])O)[2H] N458502 c1cc(oc1/C=N/NC(=O)c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] N458700 [2H]C([2H])([2H])C([2H])(COC(=O)C1=C(NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C)C([2H])([2H])[2H] N489127 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] N490100 [2H]c1c(c(c(c(c1[2H])C(=O)Nc2ncc(s2)[N+](=O)[O-])OC(=O)C)[2H])[2H] N490102 COC(=O)CCC[N+](=O)[O-] N495810 c1cc(ccc1/C=C/C(=O)O)[N+](=O)[O-] N495815 c1cc(ccc1/C=C/C#N)[N+](=O)[O-] N495820 c1cc(ccc1/C=C/CO)[N+](=O)[O-] N495825 c1ccc2c(c1)c3cc(ccc3s2)[N+](=O)[O-] N495835 c1cc(cc2c1ccc(=O)o2)[N+](=O)[O-] N495840 c1ccc(cc1)COc2ccc(cc2O)/C=C/[N+](=O)[O-] N495845 c1cc2c(cc1[N+](=O)[O-])OCCO2 N495850 c1ccc(c(c1)C(=O)O)N/C=C/[N+](=O)[O-] N495855 c1cc2c(cc1[N+](=O)[O-])C(=O)OC23c4ccc(cc4OC5=CC(=O)C=CC35)O N495860 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O N503365 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O N503375 CC1=C(C(C(=C(N1)C(OC)OC)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C N503380 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)Oc5ccccc5[N+](=O)[O-])O)O)O N503383 COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)Oc5ccc(cc5)[N+](=O)[O-])O)O)O N503385 CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC N503390 c1ccc(cc1)N(c2ccccc2)c3ccccc3[N+](=O)[O-] N503397 c1ccc(cc1)N(c2ccccc2)c3ccc(cc3)[N+](=O)[O-] N503400 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc4ccc(cc4)[N+](=O)[O-])CO)O)OC(=O)C)OC(=O)C)OC(=O)C N503405 CC(c1ccccc1[N+](=O)[O-])O N503410 c1cc(c(cc1[N+](=O)[O-])N)N N503420 [2H]C([2H])(c1ccc(cc1)[N+](=O)[O-])C([2H])([2H])Br N503432 c1cc(ccc1[N+](=O)[O-])OC=O N503500 CC1=C(C(C(=C(N1)C=O)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C N503510 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O N503525 c1cc(ccc1c2ccc(o2)C=O)[N+](=O)[O-] N503535 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)O)O)O N503550 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)O)O)O N503555 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)O)O)O N503558 c1cc(oc1)CS(=O)CC(=O)Oc2ccc(cc2)[N+](=O)[O-] N503565 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@H](CO)O)O)O N503570 c1ccc(c(c1)[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O N503575 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O N503580 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O N503585 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O N503600 CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C N490130 [13CH3][13C](=O)[13C](=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])[13C](=O)[13CH3] N490132 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)C2C(=O)CCCC2=O N490135 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)[13CH]2[13C](=O)[13CH2][13CH2][13CH2][13C]2=O N490137 c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-] N490140 c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-] N490142 CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)C N490150 C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O N490200 [13CH2](N([13CH2]P(=O)(O)O)[13CH2]P(=O)(O)O)P(=O)(O)O N490202 CC(=O)Nc1ccc(cc1[N+](=O)[O-])O N490275 CC(=O)Nc1ccc(cc1[N+](=O)[O-])OC N490285 CC(=O)Nc1ccc(cc1[15N+](=O)[O-])OC N490287 CC(=O)c1ccccc1[N+](=O)[O-] N490300 CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] N491425 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[2H] N491427 CC(=O)NCCc1c[nH]c2c1cc(cc2)[N+](=O)[O-] N491465 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] N491550 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])[2H] N491552 C(CO)N[N+](=O)[O-] N491750 COc1ccc(c(c1)[N+](=O)[O-])N N491800 COc1ccc(c(c1)[15N+](=O)[O-])N N491802 c1cc(c(cc1[N+](=O)[O-])C(=O)N)N N491900 c1cc(c(cc1[N+](=O)[O-])C(=O)O)N N491910 c1ccc(c(c1)C=O)[N+](=O)[O-] N492125 [2H]c1c(c(c(c(c1[2H])C=O)[N+](=O)[O-])[2H])[2H] N492127 [2H]c1c(c(c(c(c1C=O)[2H])[2H])[N+](=O)[O-])[2H] N492132 c1ccc(c(c1)/C=N/NC(=O)N)[N+](=O)[O-] N492150 c1ccc(c(c1)/C=N/[15NH][13C](=O)[15NH2])[N+](=O)[O-] N492152 c1cc(ccc1C(=N)N)[N+](=O)[O-].Cl N492575 CCCCCC[C@H]([C@H](C)O)NC(=O)c1ccc(cc1)[N+](=O)[O-] N492780 c1cc(ccc1/N=N/C(C#N)C#N)[N+](=O)[O-] N493275 B(F)(F)F.c1ccc(c(c1)[N+]#N)[N+](=O)[O-].[F-] N493525 B(F)(F)F.c1cc(ccc1[N+]#N)[N+](=O)[O-].[F-] N493530 c1cc(cc(c1)[N+](=O)[O-])C#N N493560 c1cc(ccc1[N+](=O)[O-])S(=O)(=O)O N493570 c1cc2c(cc1[N+](=O)[O-])scn2 N493580 CN(CCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3)S(=O)(=O)c4ccc(cc4)[N+](=O)[O-] N493590 CCCCCC(=S)n1c2cc(ccc2nn1)[N+](=O)[O-] N493595 COC(=O)Cc1cc2c(cc1C(=O)c3ccc(cc3)[N+](=O)[O-])OCO2 N493600 c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N+](=O)[O-] N493610 c1cc(ccc1[N+](=O)[O-])OC(=O)N2CC3CC(C2)c4c3cc5c(c4)nccn5 N493625 c1cc(cc(c1)[N+](=O)[O-])CBr N493635 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1OP(=O)(Oc3ccccc3)Oc4ccccc4)C(=O)OCc5ccc(cc5)[N+](=O)[O-])[C@@H](C)O N493650 CC(=O)/C(=C/c1ccccc1[N+](=O)[O-])/C(=O)OCC(C)(C)OC(=O)C N493675 [2H]C([2H])([2H])C(COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])/C(=O)C)(C([2H])([2H])[2H])OC(=O)C N493677 CC(=O)/C(=C/c1ccccc1[N+](=O)[O-])/C(=O)OC N493680 c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O)[N+](=O)[O-] N493695 c1ccc(c(c1)COc2ccc(cc2)C[C@@H](C(=O)O)N)[N+](=O)[O-] N493700 c1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] N493710 CC(=O)c1cc(ccc1OCC(CNC(C)(C)C)O)[N+](=O)[O-] N493730 c1ccc2c(c1)c3cc(ccc3[nH]2)[N+](=O)[O-] N493750 CC(Cc1ccc(cc1)[N+](=O)[O-])N(C)CC#C.Cl N493760 [2H]C([2H])([2H])N(CC#C)C(C)Cc1ccc(cc1)[N+](=O)[O-].Cl N493762 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)[N+](=O)[O-])n(n1)C N493770 Cc1c2c(c(nc1[N+](=O)[O-])C)c3ccccc3[nH]2 N493780 c1ccc(cc1)N(c2ccccc2)[N+](=O)[O-] N493800 c1ccn2c(c1)nc3c2nc(cc3)[N+](=O)[O-] N493810 CCOc1cc(ccc1N2C(=O)c3ccccc3C2=O)[N+](=O)[O-] N493825 c1cc(oc1)[N+](=O)[O-] N493840 c1cc(oc1/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] N493850 c1cc(oc1/C=N/N2[13CH2][13C](=O)N[13C]2=O)[N+](=O)[O-] N493852 c1cc(oc1/C=N/NC(=O)N)[N+](=O)[O-] N493880 c1cc(oc1/C=[15N]/[15NH][13C](=O)N)[N+](=O)[O-] N493882 Cc1cc2c(c(c1NC)[N+](=O)[O-])n[se]n2 N493960 CN(CO)[N+](=O)[O-] N493975 Cc1cc2c3ccccc3[nH]c2nc1[N+](=O)[O-] N493980 Cc1c2c3ccccc3[nH]c2cc(n1)[N+](=O)[O-] N493985 CN(C(=N)N[N+](=O)[O-])N=O N493990 CCCN(C(=N)N[N+](=O)[O-])N=O N494000 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])OC(=O)c5ccccc5 N494030 c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@@H]([C@H](O3)Oc4ccc(cc4)[N+](=O)[O-])O)O N494125 c1ccc(cc1)C(=O)O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2OC4(CCCCC4)OC3)Oc5ccc(cc5)[N+](=O)[O-])O N494275 B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)[N+](=O)[O-] N494320 [2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1C(=O)OCc2ccc(cc2)[N+](=O)[O-])SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)OCc5ccc(cc5)[N+](=O)[O-])C([2H])([2H])[2H] N494652 C[C@H]1[C@H]([C@H]([C@@H](C(O1)OC(=O)c2ccc(cc2)[N+](=O)[O-])OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 N495000 c1ccc(c(c1)CC#N)[N+](=O)[O-] N495425 C[C@H]([C@@H]1[C@H]2CC(=O)C(N2C1=O)C(=O)OCc3ccc(cc3)[N+](=O)[O-])O N495500 c1cc(ccc1CON)[N+](=O)[O-].Cl N495530 [2H]c1c(c(c(c(c1C([2H])([2H])ON)[2H])[2H])[N+](=O)[O-])[2H].Cl N495532 c1cc(ccc1CC(CC(=O)O)C(=O)O)[N+](=O)[O-] N495600 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SCc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N495670 c1cc(ccc1CS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] N495750 c1cc(ccc1CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-] N495760 c1cc(ccc1CSc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O)[N+](=O)[O-].[Na+].[Na+] N495770 [2H]c1c(c(c(c(c1[2H])[2H])c2ccccc2[N+](=O)[O-])[2H])[2H] N495788 [2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)[N+](=O)[O-])[2H])[2H] N495795 c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CBr)[N+](=O)[O-] N495805 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2NC(=O)CBr)[N+](=O)[O-])[2H])[2H] N495807 c1cc2c(cc1[N+](=O)[O-])C3(c4ccc(cc4OC5=CC(=O)C=CC53)O)OC2=O N495863 CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)[N+](=O)[O-])OC(=O)C N495865 CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)[N+](=O)[O-])OC(=O)C N495870 c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O N495875 c1ccc-2c(c1)Cc3c2cc(cc3)[N+](=O)[O-] N495880 COC(=O)c1cc(ccc1[N+](=O)[O-])F N495885 c1ccc2c(c1)-c3cc(ccc3C2=O)[N+](=O)[O-] N495890 CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C N495900 [2H]c1c(c(oc1C(OC(=O)C)OC(=O)C)[N+](=O)[O-])[2H] N495902 c1cc(ccc1c2cc(=O)c3cc(ccc3o2)O)[N+](=O)[O-] N495935 COc1cc(ccc1O)[N+](=O)[O-] N495960 c12c([nH]c(n1)[N+](=O)[O-])nc([nH]c2=O)N N496010 c12c(=O)[nH]c(n[13c]1[nH][13c]([15n]2)[N+](=O)[O-])N N496013 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2[N+](=O)[O-])O)O)O N496050 CCCCCC[N+](=O)[O-] N496125 c1cc(ccc1CCC#N)[N+](=O)[O-] N496175 c1c(cnc(c1O)[N+](=O)[O-])C(=O)O N496200 c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])O N496210 c1cc2c(ccc(c2nc1)O)[N+](=O)[O-] N496215 c1c([nH]cn1)[N+](=O)[O-] N496220 c1c(ncn1CCO)[N+](=O)[O-] N496225 c1c(n(cn1)CCO)[N+](=O)[O-] N496230 [2H]C([2H])(C([2H])([2H])O)n1cncc1[N+](=O)[O-] N496232 c1cc2c(cc1[N+](=O)[O-])[nH]cn2 N496245 c1cc2cn[nH]c2c(c1)[N+](=O)[O-] N496250 c1cc2c(cc[nH]2)c(c1)[N+](=O)[O-] N496275 c1cc2c(cc[nH]2)cc1[N+](=O)[O-] N496280 c1cc2c(cc1[N+](=O)[O-])c(c[nH]2)CC#N N496350 c1cc2cnccc2c(c1)[N+](=O)[O-] N496390 c1cc(ccc1[C@H]2CN3CCSC3=N2)[N+](=O)[O-] N496400 CCN(CC)CC(=O)Nc1c(ccc(c1C)[N+](=O)[O-])C N496420 Cc1c([n+](ccc1[N+](=O)[O-])[O-])C N496450 CNc1c2cccnc2ccc1[N+](=O)[O-] N496570 CNc1ccc2c(c1[N+](=O)[O-])cccn2 N496575 CNc1ccc2cccnc2c1[N+](=O)[O-] N496580 CCOC(=O)CC1(CCCCC1)C[N+](=O)[O-] N496585 [2H]C([2H])(C(=O)OC)C1(CCCCC1)C([2H])([2H])[N+](=O)[O-] N496592 c1c(c(cc2c1OCO2)[N+](=O)[O-])C=O N496600 Cc1cccn2c1nc3c2nc(cc3)[N+](=O)[O-] N496615 Cc1ccc(cc1[N+](=O)[O-])O N496625 c1ccc2c(c1)C(COC2=O)C[N+](=O)[O-] N496660 c1ccc2cc(c(cc2c1)CO)[N+](=O)[O-] N496850 Cc1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)[N+](=O)[O-] N496865 c1c(cncc1[N+](=O)[O-])C(=O)O N496870 CCCCCCCC/C=C(\CCCCCCCC(=O)O)/[N+](=O)[O-] N496875 CCCCCCCC/C(=C\CCCCCCCC(=O)O)/[N+](=O)[O-] N496880 C1COC(=O)N1[N+](=O)[O-] N496885 CC(=O)c1cc(ccc1OCC2CO2)[N+](=O)[O-] N496895 CCC(C(C)[N+](=O)[O-])O N496910 CCC(=O)C(C)[N+](=O)[O-] N496920 c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)CCc5ccc(cc5)[N+](=O)[O-] N496940 c1cc(ccc1[N+](=O)[O-])O N496945 c1cc(ccc1[15N+](=O)[O-])O N496947 c1[13cH][13c]([13cH]cc1[N+](=O)[O-])O N496948 c1ccc(cc1)Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)[N+](=O)[O-] N496950 [2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)[N+](=O)[O-])[2H])[2H] N496952 c1ccc(cc1)Oc2ccc(cc2)CCNc3c4cc(ccc4ncn3)[N+](=O)[O-] N496955 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O N496960 C#Cc1ccc(cc1)[N+](=O)[O-] N497000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)CO)O)O N498000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)CO)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)CO)O)O N498005 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)N6C(=O)c7ccccc7C6=O N498030 [2H]C([2H])([2H])[13C](=O)Oc1ccc(cc1)[N+](=O)[O-] N498042 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O N498050 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C N498060 CC(=O)N[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)CO)O N499000 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])OC(=O)C N499020 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O N499080 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)O)O)CO)O)O N499100 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)O)O)CO)O)O N499105 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)OC(=O)C N499115 CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1Oc4ccc(cc4)[N+](=O)[O-])O N499130 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)O)OC(=O)C N499175 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])COC(=O)C)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 N499185 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)NC(=O)C)Oc4ccc(cc4)[N+](=O)[O-])COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 N499190 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)c3ccccc3)O)OC(=O)c4ccccc4 N499200 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)O N499205 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)Oc4ccc(cc4)[N+](=O)[O-])NC(=O)C)CO)O)O)O)O)O N499210 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)Oc4ccc(cc4)[N+](=O)[O-])CO)CO)O)O)O)O)O N499215 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccccc2[N+](=O)[O-])CO)O)O N499250 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O N500000 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O N500010 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O N501000 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O N501005 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O N501220 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O N501250 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O N501255 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccccc2[N+](=O)[O-])CO)O)O N501500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O N501750 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O N502000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N502040 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N502045 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1Oc2ccccc2[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C N502060 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccccc2[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C N502090 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C N502095 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)Oc4ccc(cc4)[N+](=O)[O-])NC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 N502120 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)COC(c4ccccc4)(c5ccccc5)c6ccccc6)Oc7ccc(cc7)[N+](=O)[O-])NC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(=O)c1ccccc1 N502130 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)O N502140 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])NC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)CO)O)O N502160 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C N502180 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O N502190 CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)Nc6ccccc6 N502195 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C N502200 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)Nc4ccccc4 N502205 c1cc(cc(c1)[N+](=O)[O-])CC(=O)O N502225 [2H]C([2H])(c1ccc(cc1)[N+](=O)[O-])C([2H])([2H])O N502232 c1cc(cc(c1)[N+](=O)[O-])CC#N N502360 CC(=O)NC1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2ccc(cc2)[N+](=O)[O-])O.[NH4+] N502500 CC(=O)NC1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2ccc(cc2)[N+](=O)[O-])O.[Na+] N502501 c1cc(ccc1C[C@H](C(=O)O)N)[N+](=O)[O-] N502720 c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-].O N502725 c1ccc(c(c1)Nc2c(ccs2)C#N)[N+](=O)[O-] N502800 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N=[N+]=[N-] N503000 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N=[N+]=[N-] N503005 c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@@H]([C@H](O3)Oc4ccc(cc4)[N+](=O)[O-])OC(=O)c5ccccc5)O N503010 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]3[C@@H](COC(O3)c4ccccc4)O[C@@H]([C@H]2OC(=O)c5ccccc5)Oc6ccc(cc6)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N503015 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O)Oc3ccc(cc3)[N+](=O)[O-])COC(=O)c4ccccc4)C N503025 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2Oc3ccc(cc3)[N+](=O)[O-])COC(=O)c4ccccc4)O)O)OC(=O)C)OC(=O)C)OC(=O)C N503040 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2Oc3ccc(cc3)[N+](=O)[O-])COC(=O)c4ccccc4)O)O)OC(=O)C)OC(=O)C)OC(=O)C N503043 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)[N+](=O)[O-])C)C)(F)F N503045 c1ccc(cc1)COc2ccccc2[N+](=O)[O-] N503050 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](COC(O3)c4ccccc4)O[C@H]([C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Oc6ccc(cc6)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N503052 c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)Oc4ccc(cc4)[N+](=O)[O-])O)O N503054 c1ccc(cc1)C2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@H](O3)Oc4ccc(cc4)[N+](=O)[O-])O)O N503055 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]3[C@@H](COC(O3)c4ccccc4)O[C@H]2Oc5ccc(cc5)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C N503056 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2OC(OC3)c4ccccc4)Oc5ccc(cc5)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C N503057 c1cc(cc(c1)[N+](=O)[O-])/C=C/CC(=O)O N503060 CC(CCc1ccc(cc1)[N+](=O)[O-])NCC(=O)c2ccc(cc2)OC.Cl N503065 CC(CCc1ccc(cc1)[N+](=O)[O-])NCC(c2ccc(cc2)OC)O.Cl N503070 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O N503080 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O N503090 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N503095 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O N503100 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N503110 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O N503200 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O N503300 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)COC4(O3)CCCCC4)O)O N503335 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O N503337 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C N503339 CC(=O)O[C@H]1[C@@H](CO[C@H]([C@@H]1OC(=O)C)Oc2ccccc2[N+](=O)[O-])O N503340 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])OC(=O)c4ccccc4)O)O N503350 c1cc(ccc1C(C(C(=O)O)Br)Br)[N+](=O)[O-] N503355 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COP(=O)(O)[O-])O)O)O.C1CCC(CC1)[NH3+] N503625 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O N503650 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O N503655 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N503665 c1ccc(cc1)O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O N503667 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O N503670 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O N503675 CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N503685 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O N503695 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O N503700 c1cc(ccc1[N+](=O)[O-])O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O N503725 COC(=O)[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)Oc2ccc(cc2)[N+](=O)[O-] N503730 Cc1ccc(cc1NC(=N)N)[N+](=O)[O-].[N+](=O)(O)[O-] N503755 c1cc(cc(c1)[N+](=O)[O-])NC(=N)N.[N+](=O)(O)[O-] N503765 c1cc(ccc1NN)[N+](=O)[O-].Cl N503770 c1cc(ccc1[N+](=O)[O-])OC(=O)CI N503775 CC1(O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O1)O)Oc3ccc(cc3)[N+](=O)[O-])CO)C N503810 CC1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@H](O2)Oc3ccc(cc3)[N+](=O)[O-])O)O)C N503815 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O N503850 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N503860 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O N503870 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O N503875 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O N503920 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O N503925 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O N503940 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O N503995 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O N504000 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O N504375 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O N504395 CC(=O)N[C@@H](CSc1ccc(cc1)[N+](=O)[O-])C(=O)O N504410 c1cc(ccc1N2CCOCC2=O)[N+](=O)[O-] N504425 [2H]c1c(c(c(c(c1N2CCOCC2=O)[2H])[2H])[N+](=O)[O-])[2H] N504427 c1ccc(cc1)N(c2ccc(cc2)[N+](=O)[O-])c3ccccc3[N+](=O)[O-] N504440 CC(C)[C@@H](C(=O)OC)NC(=O)Oc1ccc(cc1)[N+](=O)[O-] N504445 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)ONC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)Oc5ccc(cc5)[N+](=O)[O-])CO)CO)CO)CO)O)O N504450 CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@@H]2CO[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Oc3ccccc3[N+](=O)[O-] N504455 c1ccc(cc1)Nc2ccccc2[N+](=O)[O-] N504458 c1ccc(cc1)Nc2ccc(cc2)[N+](=O)[O-] N504460 C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(cc1)[N+](=O)[O-] N504465 c1ccc(c(c1)NP(=O)(N)N)[N+](=O)[O-] N504475 c1cc(ccc1C#CC(=O)O)[N+](=O)[O-] N504485 c1ccc2c(c1)c3ccncc3n2c4ccc(cc4)[N+](=O)[O-] N504500 [2H]c1c(c(c(c(c1n2c3ccccc3c4c2cncc4)[2H])[2H])[N+](=O)[O-])[2H] N504502 c1ccc(c(c1)C/C(=N/O)/C(=O)O)[N+](=O)[O-] N504580 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COS(=O)(=O)[O-])O)O.[K+] N505000 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)[N+](=O)[O-] N505075 [2H]C1(C[C@@H](C(O1)([2H])[2H])OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)[N+](=O)[O-])O)[2H] N505077 CC(=O)OC[C@@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)OC)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)NC(=O)COC(=O)C)OC(=O)C)OC(=O)C N505700 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N505710 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N505715 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N505730 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N505738 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N505740 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)OC(=O)C)OC(=O)C)OC(=O)C N505748 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)Oc3ccc(cc3)[N+](=O)[O-])CO)O)OC(=O)C)OC(=O)C)OC(=O)C N505750 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2OC4(CCCCC4)OC3)Oc5ccc(cc5)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C N505760 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccccc3)Oc4ccc(cc4)[N+](=O)[O-])CO)OC(=O)c5ccccc5)OC(=O)C)OC(=O)C)OC(=O)C N505780 CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N505830 COc1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@H]4[C@@H](COC(O4)c5ccccc5)O[C@@H]3Oc6ccc(cc6)[N+](=O)[O-])O)OCc7ccc(cc7)OC)OCc8ccc(cc8)OC)OCc9ccc(cc9)OC N505880 COc1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@H](O[C@H]4[C@H]3O[C@@H](OC4)c5ccccc5)Oc6ccc(cc6)[N+](=O)[O-])O)OCc7ccc(cc7)OC)OCc8ccc(cc8)OC)OCc9ccc(cc9)OC N505890 c1cc(ccc1[N+](=O)[O-])S[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O N506000 CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccccc2[N+](=O)[O-])CO N506630 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)OC(=O)C)OC(=O)C N506650 CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])CO N506670 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccccc2[N+](=O)[O-])C(=O)OC)OC(=O)C N506745 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])C(=O)OC)OC(=O)C N506750 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C N506780 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)c4ccccc4)O[C@@H]2Oc5ccc(cc5)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C N506795 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2Oc3ccc(cc3)[N+](=O)[O-])CO)O)O)OC(=O)C)OC(=O)C)OC(=O)C N506810 CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCc4ccc(cc4)OC)OCc5ccc(cc5)OC)OCc6ccc(cc6)OC)OCc7ccc(cc7)OC N506890 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N506920 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C N506925 CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])COC(c3ccccc3)(c4ccccc4)c5ccccc5 N506945 CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc2ccccc2[N+](=O)[O-] N506985 c1cc(ccc1NC(=O)C(F)(F)F)[N+](=O)[O-] N507180 CC(=O)CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)CCC(=O)C)OC(=O)CCC(=O)C)Oc2ccc(cc2)[N+](=O)[O-])CO N507210 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O N507225 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)Oc5ccc(cc5)[N+](=O)[O-])O)O)O N507525 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](CO2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O N508850 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O N508950 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O N509000 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O N509050 c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)[N+](=O)[O-] N513250 c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)O N515295 c1cc(c(cc1[N+](=O)[O-])C(=O)O)C(=O)O N515300 c1cc2c(c(c1)[N+](=O)[O-])C(=O)OC2=O N515320 c1cc(ncc1[N+](=O)[O-])C(=O)O N518250 C1CN(CCN1)[N+](=O)[O-] N518290 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])[N+](=O)[O-])([2H])[2H])[2H] N518292 c1cc(c2c(c1N3CCNCC3)non2)[N+](=O)[O-].Cl N518300 C/C(=C\c1cccc2c1OCO2)/[N+](=O)[O-] N519700 CC(C)c1cc(cc(c1O)C(C)C)[N+](=O)[O-] N519800 c1cc(cnc1)[N+](=O)[O-] N519900 c1c[n+](ccc1[N+](=O)[O-])[O-] N519920 c1ccc2c(c1)c3ccc(nc3[nH]2)[N+](=O)[O-] N520100 CCCN1CCCC[C@H]1C(=O)Nc2c(ccc(c2C)[N+](=O)[O-])C N520280 c1cc(c(c(c1)[N+](=O)[O-])O)C(=O)O N520900 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-].OS(=O)(=O)O N521000 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)[N+](=O)[O-].OS(=O)(=O)O N521005 CC(=O)N[C@H](C(=O)O)C(C)(C)SN=O N522050 CC(=O)NC(C(=O)O)C(C)(C)SN=O N522500 CC(=O)NC(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(C)(C)SN=O N522540 CN(C(=O)N(c1ccccc1)c2ccccc2)N=O N523400 c1cc(cnc1)[C@H]2CCCCN2N=O N524245 c1cc(cnc1)C2CCCCN2N=O N524250 [2H]c1c(c(c(nc1[2H])[2H])C2CCCCN2N=O)[2H] N524252 c1cc(c[n+](c1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3CCCCN3N=O.[Cl-] N524260 c1cc(cnc1)[C@H]2CC=CCN2N=O N524740 c1cc(cnc1)[C@@H]2CC=CCN2N=O N524745 c1cc(cnc1)C2CC=CCN2N=O N524750 [2H]c1c(c(c(nc1[2H])[2H])C2CC=CCN2N=O)[2H] N524752 [2H]c1c(c(c(nc1[2H])[2H])C2CC=CCN2N=O)[2H] N524753 c1cc(c[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)C3CC=CCN3N=O N524755 CCN(c1nc(nc(n1)Cl)NC(C)C)N=O N524800 C1CC2CN(CC2C1)N=O N524900 [2H]C1(C2CCCC2C(N1N=O)([2H])[2H])[2H] N524902 C1CN([C@H]1C(=O)O)N=O N524975 [2H]C1([C@H](N(C1([2H])[2H])N=O)C(=O)O)[2H] N524977 c1ccc(cc1)COC(=O)N[C@@H](CN(N=O)OCc2ccccc2)C(=O)O N525100 c1ccc(cc1)COC(=O)NC(CN(N=O)OCc2ccccc2)C(=O)O N525105 C(CO)N(CCO)N=O N525200 [2H]C([2H])(C([2H])([2H])O)N(C([2H])([2H])C([2H])([2H])O)N=O N525202 CC(CN(CC(C)O)N=O)O N525225 CC(=O)CN(CC(=O)C)N=O N525250 c1cc2c(nc1)C(=C3CCN(CC3)N=O)c4ccc(cc4CC2)Cl N525370 c1ccc(cc1)CN(Cc2ccccc2)N=O N525450 [2H]c1c(c(c(c(c1[2H])[2H])CN(Cc2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])N=O)[2H])[2H] N525452 [2H]C([2H])(c1ccccc1)N(C([2H])([2H])c2ccccc2)N=O N525453 CCN(CC)N=O N525465 [2H]C([2H])(C)N(C([2H])([2H])C)N=O N525467 CCCN(CCC)N=O N525480 CCCCN(CCCC)N=O N525535 C1CCC(CC1)N(C2CCCCC2)N=O N525550 CCCCCCN(CCCCCC)N=O N525575 CC(C)N(C(C)C)N=O N525600 CC(C)CN(CC(C)C)N=O N525610 [2H]C([2H])(C(C)C)N(C([2H])([2H])C(C)C)N=O N525612 CN(C)N=O N525625 [2H]C([2H])([2H])N(C([2H])([2H])[2H])N=O N525627 CC(C)CCCCCCN(CCCCCCC(C)C)N=O N525700 [2H]C([2H])(CCCCCC(C)C)N(C([2H])([2H])CCCCCC(C)C)N=O N525702 CCCCCCCCCN(CCCCCCCCC)N=O N525750 CC(CCN(CCC(C)CC(C)(C)C)N=O)CC(C)(C)C N525800 [2H]C([2H])(CC(C)CC(C)(C)C)N(C([2H])([2H])CC(C)CC(C)(C)C)N=O N525802 CCCCN(CC)N=O N525810 CCN(c1ccccc1)N=O N525875 CCN(C)N=O N525950 [2H]C([2H])([2H])N(C([2H])([2H])C)N=O N525952 CCN(C(=O)N)N=O N526100 C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N N527500 COC(=O)C1=CCCN(C1)N=O N527625 [2H]C1(CC=C(C(N1N=O)([2H])[2H])C(=O)OC)[2H] N527627 CCCCCCC(=O)NC(C(=O)O)C(C)(C)SN=O N527775 CC(=O)Oc1ccccc1C(=O)Oc2cccc(c2)CO[N+](=O)[O-] N633000 CC(=O)Oc1ccccc1C(=O)Oc2ccc(cc2)CO[N+](=O)[O-] N633005 c1cc(ccc1[C@@H](C(=O)O)N2C[C@@H](C2=O)NC(=O)/C(=N\O)/c3ccc(cc3)OCC[C@H](C(=O)O)N)O N634000 [2H]C([2H])(C[C@H](C(=O)O)N)Oc1ccc(cc1)/C(=[15N]\O)/C(=O)N[C@H]2CN(C2=O)[C@@H](c3ccc(cc3)O)C(=O)O N634002 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCNCC3)C(=O)O N681000 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3CC)C(=O)O)([2H])[2H])[2H] N681002 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCN(CC3)O)C(=O)O N681010 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])F N681050 [2H]c1c(c(c(c2c1NC(=O)CN=C2c3ccccc3F)[2H])[N+](=O)[O-])[2H] N681052 c1ccc(cc1)[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F N681090 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCN)Oc2ccc(cc2)C(F)(F)F)[2H])[2H] N681092 c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F N681095 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](CCN)Oc2ccc(cc2)C(F)(F)F)[2H])[2H] N681097 c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F N681100 [2H]C([2H])(C([2H])([2H])N)C([2H])(c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl N681102 C(CO)N(CC(=O)O)N=O N528400 C1[C@H](CN([C@@H]1C(=O)O)N=O)O N528600 CN(CCCC(=O)O)N=O N529000 [2H]C([2H])([2H])N(CCCC(=O)O)N=O N529002 CN(CCCC(=O)OC)N=O N529050 [2H]C([2H])([2H])N(CCCC(=O)OC)N=O N529052 CN(CCC(=O)O)N=O N529200 [2H]C([2H])([2H])N(CCC(=O)O)N=O N529202 CN(CCC(=O)OC)N=O N529250 [2H]C([2H])([2H])N(CCC(=O)OC)N=O N529252 CN(c1ccccc1)N=O N529925 CCCCCCCCCCCCN(C)N=O N529935 [2H]C([2H])([2H])N(C([2H])([2H])CCCCCCCCCCC)N=O N529937 CC1Cc2ccccc2N1N=O N529945 CN(C(Cc1ccccc1)C(=O)O)N=O N529950 CCCCCCCCCCCCCCN(C)N=O N529960 CC1N(C(CS1)C(=O)O)N=O N529970 C1COCCN1N=O N529985 [2H]C1(COCC(N1N=O)([2H])[2H])[2H] N529987 c1cc2c(cc1F)CCC(O2)C(CN(CC(C3CCc4cc(ccc4O3)F)O)N=O)O N531900 C1CC(CN(C1)N=O)C(=O)O N532000 [2H]C1(CCC(C(N1N=O)([2H])[2H])C(=O)O)[2H] N532002 CC(=O)OC1CCC(N1N=O)c2cccnc2 N534995 c1cc(cnc1)C2CCCN2N=O N535000 c1cc(cnc1)[C@@H]2CCCN2N=O N535001 [2H]c1c(c(c(nc1[2H])[2H])C2CCCN2N=O)[2H] N535002 CC(=O)[O-].c1cc(c[n+](c1)C2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C3CCN(C3)N=O N535005 c1cc(c[n+](c1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)C3CCCN3N=O N535010 c1cc(c[n+](c1)[O-])C2CCCN2N=O N535015 c1c(cncc1C(=O)O)C2CCCN2N=O N535020 CCCCCN(Cc1ccccn1)N=O N544990 CCCCCN(Cc1cccnc1)N=O N545000 CC(C)(Cc1ccccc1)N=O N545080 C(C(=O)O)N(CP(=O)(O)O)N=O N545150 C1CCN(C(C1)C(=O)O)N=O N545225 C1CN(CCN1)N=O N545350 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])N=O)([2H])[2H])[2H] N545352 C1CCN(CC1)N=O N545370 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])N=O)([2H])[2H])([2H])[2H])[2H] N545372 [2H]C1(CCCC(N1N=O)([2H])[2H])[2H] N545373 C1C[C@H](N(C1)N=O)C(=O)O N545450 C1C[C@H](N(C1)N=O)C(=O)O N545451 [2H]C1(CCC(N1N=O)([2H])C(=O)O)[2H] N545452 CCC(=O)NC(C(=O)O)C(C)(C)SN=O N545710 CCCN(N=O)S(=O)(=O)c1ccc(cc1)C N545730 CCCN(C(=O)N)N=O N545750 C1CCN(C1)N=O N545950 [2H]C1(CCC(N1N=O)([2H])[2H])[2H] N545952 CN(CC(=O)O)N=O N546650 [2H]C([2H])([2H])N(CC(=O)O)N=O N546652 CN(CC(=O)OC)N=O N546660 CCNc1nc(nc(n1)Cl)N(CC)N=O N546680 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N=O N546700 C1C(N(CS1)N=O)C(=O)O N546750 C1[C@H](N(CS1)N=O)C(=O)O N546755 c1(c(nc(nc1N)N)N)N=O N546975 C(CCl)N(CCCl)C(=O)N(CCCl)N=O N547250 CCCCC(=O)NC(C(=O)O)C(C)(C)SN=O N548500 Cc1cc(cc(c1N=O)C)O N548700 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-] N549000 c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2[nH]c(=O)c(=O)[nH]3)[N+](=O)[O-] N550000 c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2nc(c(n3)[O-])[O-])[N+](=O)[O-].[Na+].[Na+] N550005 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2cccc(c2[N+](=O)[O-])C(=O)/C=C/C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C N565090 Cc1cc2cccc(c2nc1)S(=O)(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)N3CC[C@H](C[C@@H]3C(=O)O)C N565115 CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c2cccc3c2ncc(c3)C)C N565120 c1c2c(c(c3c1CCC3=O)[N+](=O)[O-])CCC2 N565125 c1cc(c(cc1SC#N)C(=O)O)[N+](=O)[O-] N565300 c1cc(c(cc1S[13C]#N)C(=O)O)[N+](=O)[O-] N565302 c1cc(c(cc1SC#N)[N+](=O)[O-])N N565320 c1cc(sc1/C=C/C(=O)O)[N+](=O)[O-] N565440 Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)NC(=O)/C=C/c3ccc(s3)[N+](=O)[O-])C N565450 [2H]c1c(c(c(c(c1NC(=O)/C=C/c2ccc(s2)[N+](=O)[O-])[2H])[2H])S(=O)(=O)Nc3nc(cc(n3)C)C)[2H] N565452 c1cc(sc1C(=O)Cl)[N+](=O)[O-] N565500 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])[N+](=O)[O-])[2H])[2H] N572307 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[2H])[N+](=O)[O-])[2H] N572312 Cc1ccc(cc1[N+](=O)[O-])N N572500 Cc1ccc(cc1[N+](=O)[O-])C#N N572975 c1[nH]nc(n1)[N+](=O)[O-] N585000 CC(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] N587300 c1cc(c(cc1N)C(F)(F)F)[N+](=O)[O-] N587400 c1c(c(=O)[nH]c(=O)[nH]1)[N+](=O)[O-] N596000 c1cc2c(cc1[N+](=O)[O-])c(=O)[nH]cn2 N596450 c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)O N596800 c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O N597000 [2H]c1c(c(c(c(c1C[C@@H](C(=O)O)N)[2H])[N+](=O)[O-])O)[2H] N597002 COc1ccc(cc1OC)[N+](=O)[O-] N597700 c1c(cc(c(c1[N+](=O)[O-])O)I)C#N N597900 CN/C(=C\[N+](=O)[O-])/NCCSCc1csc(n1)CN(C)C N598500 [2H]C([2H])([2H])N/C(=C\[N+](=O)[O-])/NCCSCc1csc(n1)CN(C)C N598502 CN/C(=C\[N+](=O)[O-])/NCCS(=O)Cc1csc(n1)CN(C)C N598510 [2H]C([2H])([2H])N/C(=C\[N+](=O)[O-])/NCCS(=O)Cc1csc(n1)CN(C)C N598512 c1cc(ccc1[C@@H](C(=O)O)N2C[C@@H](C2=O)NC(=O)/C(=N/O)/c3ccc(cc3)OCC[C@H](C(=O)O)N)O N634010 [2H]C([2H])(C[C@H](C(=O)O)N)Oc1ccc(cc1)/C(=[15N]\O)/C(=O)N[C@H]2CN(C2=O)[C@@H](c3ccc(cc3)O)C(=O)O N634012 c1cc(ccc1[C@@H](C(=O)O)N2C[C@@H](C2=O)NC(=O)C(=O)c3ccc(cc3)OCC[C@H](C(=O)O)N)O N634020 c1cc(ccc1[C@@H](C(=O)O)N2C[C@@H](C2=O)NC(=O)/C(=N\O)/c3ccc(cc3)O)O N634040 c1cc(ccc1[C@@H](C(=O)O)N2C[C@@H](C2=O)NC(=O)/C(=N/O)/c3ccc(cc3)O)O N634060 c1cc(ccc1[C@H](C(=O)N[C@H]2CN(C2=O)[C@@H](c3ccc(cc3)O)C(=O)O)N)O N634080 Cc1ccc(cc1)S(=O)(=O)n2c3ccccc3nc2N N634200 C([C@@H]1[C@H]([C@@H]([C@H](C(N1)S(=O)(=O)O)O)O)O)O N635000 Cc1ccc2c(c1Sc3ccncc3)c(=O)[nH]c(n2)N N635800 [2H]c1c(nc(c(c1Sc2c(ccc3c2c(=O)[nH]c(n3)N)C)[2H])[2H])[2H] N635802 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@H]4C1=CC(=O)CC4 N635850 CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4 N635855 CN1Cc2c(cccc2N)C(C1)c3ccccc3.C(=C\C(=O)O)\C(=O)O N635950 [2H]C([2H])([2H])N1Cc2c(cccc2N)C(C1)c3ccccc3.C(=C\C(=O)O)\C(=O)O N635952 CCCCCCCCCCCCCCCCCCC N648950 CCCCCCCCCCCCCC[C@H]([C@H]([C@@H]([C@@H](CO)O)OS(=O)(=O)C)O)O N649000 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCCC)O N649302 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(CC4=CC(=O)CCC34)CCCCCCCCCC5CC6=CC(=O)CCC6[C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)OC(=O)C)C N649325 C[C@]12CC[C@@H]3c4ccc(cc4CC([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCC5Cc6cc(ccc6[C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)O)O N649350 CC(=O)Oc1ccc2c(c1)CC([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4OC(=O)C)C)CCCCCCCCCC5Cc6cc(ccc6[C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)OC(=O)C)OC(=O)C N649355 C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O N649500 CCCCCCCCCN1CC([C@H]([C@H](C1CO)O)O)O N649900 CCCCCCCCCN1CC([C@H]([C@@H](C1CO)O)O)O N650300 CCCCCCCCCc1ccc(cc1)O N650430 CCCCCCCCC[13c]1[13cH][13cH][13c]([13cH][13cH]1)O N650432 CCCCCCCCCc1ccc(cc1)OCCOCCO N650440 CCCCCCCCC[13c]1[13cH][13cH][13c]([13cH][13cH]1)OCCOCCO N650442 CCCCCCCCCc1ccc(cc1)OCCO N650450 CCCCCCCCC[13c]1[13cH][13cH][13c]([13cH][13cH]1)OCCO N650452 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)C)n(n1)C N660500 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] N660502 CC[C@@H](C(C[C@@H](C)NC)(c1ccccc1)c2ccccc2)OC(=O)C.Cl N660590 CC[C@@H](C(C[C@H](C)NC)(c1ccccc1)c2ccccc2)OC(=O)C.Cl N660600 [2H]C([2H])([2H])C[C@@H](C(C[C@H](C)NC)(c1ccccc1)c2ccccc2)OC(=O)C.Cl N660602 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34 N661000 COc1ccc2c(c1O)-c3cccc4c3[C@@H](C2)NCC4 N661020 c1cc2c3c(c1)-c4c(ccc(c4O)O)C[C@H]3NCC2.Cl N661030 C(CNC(=N)N)[C@@H](C(=O)O)N N661045 c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)NC4CCNCC4 N661060 c1ccc(cc1)C(CO)C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3 N661080 CC(Cc1ccccc1)NCc2ccccc2.Cl N661100 [2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)NCc2ccccc2.Cl N661102 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC)O)CCC4=CC(=O)CC[C@H]34 N661200 [2H]C([2H])C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)CC)O N661202 C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)OC3=O N661220 C1CC2CC1[C@H]3[C@@H]2C(=O)NC3=O N661230 C1[C@H]2C=CC1[C@@H]3[C@H]2C(=O)OC3=O N661260 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H](CC(C)C)O)O N661280 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)O)O4)OC)O N661300 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)O)O4)OC)O N661302 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)OC)O N661310 CCC(=O)N(c1ccccc1)C2(CCNCC2)C(=O)OC N661410 CN(C)C[C@@H](CC(=O)O)O N661420 [2H]C([2H])([2H])N(C[C@@H](CC(=O)O)O)C([2H])([2H])[2H] N661422 C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C N661440 COc1cc(c(cc1C(=O)N[C@@H]2CCNC[C@H]2OC)Cl)N.Cl N661460 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)Cl N661480 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl N661500 [2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl N661502 COc1ccc2c3c1O[C@@H]4[C@]35CCN[C@H](C2)[C@@H]5C=C[C@@H]4O.Cl N661600 COc1ccc2c3c1O[C@@H]4[C@]35CCN[C@H](C2)[C@@H]5C=C[C@@H]4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O N661605 c1cc(cnc1)C2CCC(=O)N2 N662000 [2H]c1c(c(c(nc1[2H])[2H])C2CCC(=O)N2)[2H] N662002 c1cc(c[n+](c1)[O-])C2CCC(=O)N2 N662010 CC(Cc1ccccc1)NCC#C N668000 [2H]c1c(c(c(c(c1[2H])[2H])CC(C)NCC#C)[2H])[2H] N668002 C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C N672000 COc1ccc2c(c1)[C@]34CCCC[C@@H]3[C@H](C2)NCC4.Cl N672500 CC(Cc1ccc(c(c1)O)O)C(C)Cc2ccc(c(c2)O)O N672700 [2H]c1c(c(c(c(c1CC(C)C(C)Cc2c(c(c(c(c2[2H])O)O)[2H])[2H])[2H])O)O)[2H] N672702 CNCC/C=C/1\c2ccccc2COc3c1cccc3.Cl N673500 [2H]C([2H])([2H])NCC/C=C/1\c2ccccc2COc3c1cccc3.Cl N673502 C1C[C@@H]2[C@H]([C@H](C[C@H]1N2)O)C(=O)O.Cl N674000 [2H]C1([C@H]2C[C@@H]([C@@H]([C@@H](C1([2H])[2H])N2)C(=O)O)O)[2H].Cl N674002 COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1O N674010 [2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1O N674012 C[C@@H]([C@@H](c1ccccc1)O)N N674400 [2H]C([2H])([2H])[C@@H]([C@@H](c1ccccc1)O)N.Cl N674402 c1cc(c(cc1C(CN)O)O)O.Cl N674500 [2H]c1c(c(c(c(c1C([2H])(C([2H])([2H])N)O)[2H])O)O)[2H].Cl N674502 c1cc(c(cc1[C@H](CN)O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O N674505 c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@H]4[C@H]3CC[C@@H]4O N674800 [2H][C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC([C@]2([2H])O)([2H])[2H])O N674802 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O N675000 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O N675002 CC(=O)[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C#C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4 N675980 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 N675985 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C N675990 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(=O)C4)C)C#C N675995 CC12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 N676000 [2H]C1=C2C(CC3C4CC[C@](C4(CCC3C2(CC(C1=O)([2H])[2H])[2H])C)(C#C)O)([2H])[2H] N676002 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 N676005 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OS(=O)(=O)[O-])CCC4=CC(=O)CC[C@H]34.[Na+] N676010 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=O)C4)C)C#C N676015 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 N676020 CC(C)OC1=CC2=CC[C@@H]3[C@@H]([C@H]2CC1)CC[C@]4([C@H]3CC[C@]4(C#C)OC(=O)C)C N676025 C[C@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O N676030 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)O[C@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@H]45)C)C#C)C(=O)OC)OC(=O)C N676040 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCNCC2.Cl N680970 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCNCC2.Cl N680972 [2H]c1c(c(c(c(c1[2H])[2H])C(CCN)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl N681103 c1ccc(cc1)C(CCN[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Oc3ccc(cc3)C(F)(F)F N681110 c1ccc(cc1)[C@@H](CCN2C(=O)c3ccccc3C2=O)Oc4ccc(cc4)C(F)(F)F N681140 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCN2C(=O)c3ccccc3C2=O)Oc4ccc(cc4)C(F)(F)F)[2H])[2H] N681142 CC(=O)/C=C/1\C(=S)Nc2ccccc2N=C1N3CCN(CC3)C O253780 Cc1cc2c(s1)N(c3ccccc3N=C2N4CC[N+](CC4)(C)[O-])[O-] O253785 CC(=O)O/C=C/1\C(=S)Nc2ccccc2N=C1N3CCN(CC3)C O253790 CN1CCN(CC1)C\2=Nc3ccccc3NC(=S)/C2=C\O O253795 CCCCCCCC/C=C\CCCCCCCC(=O)N O255000 C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O O258000 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C O268000 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C O268050 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C O268100 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C O269500 CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C O269501 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C O270750 CCCCCCCCc1ccc(cc1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-] O273000 CCCCCCCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C O277490 CCCCCCCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O O277500 CCCCCCCCO[C@@H]1C([C@H]([C@@H](C(O1)CO)O)O)O O285000 CCCCCCCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O O286000 CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O O289000 CCCCCCCCN1C(=O)C=CC1=O O290025 CCCCCCCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O O290600 CCCCCCCCSS(=O)(=O)C O291250 CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCCCCCC O292500 CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC.[Br-] O293250 CCCCCCCCc1ccc(cc1)OCCOCCO O293765 [2H]c1c(c(c(c(c1CCCCCCCC)[2H])[2H])OCCOCCO)[2H] O293767 CCCCCCCCc1ccc(cc1)OCCO O293770 c1ccc(cc1)[C@H](CCN2C(=O)c3ccccc3C2=O)Oc4ccc(cc4)C(F)(F)F N681150 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](CCN2C(=O)c3ccccc3C2=O)Oc4ccc(cc4)C(F)(F)F)[2H])[2H] N681152 CNc1cnn(c(=O)c1Cl)c2cccc(c2)C(F)(F)F N684500 [2H][13C]([2H])([2H])Nc1cnn(c(=O)c1Cl)c2cccc(c2)C(F)(F)F N684502 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)CCC4=C/C(=N/O)/CC[C@H]34 N686000 [2H]C\1=C2[C@](CC(/C1=N\O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H] N686002 C[C@H]1C[C@]2([C@@H](CC[C@@]2(C(=O)C)OC(=O)C)[C@H]3[C@H]1[C@H]4CCC(=O)C=C4CC3)C N686500 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 N689500 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)O)CC)[2H] N689502 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 N689510 [2H]C#C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=C(C(=O)C(C[C@]34[2H])([2H])[2H])[2H])([2H])[2H])CC)O N689512 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 N689515 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OS(=O)(=O)O)CCC4=CC(=O)CC[C@H]34 N689520 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)CCC5=CC(=O)CC[C@H]35 N689525 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)CCC5=CC(=O)CC[C@H]35 N689535 CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[Si](C)(C)C)CCC4=CC(=O)CC[C@H]34 N689545 CC[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 N689550 c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)N4)O N692000 c1ccc(c(c1)C2(CCCCC2=O)N)Cl N692050 [2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)N)Cl)[2H])[2H] N692052 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC N692080 C1C[C@H]2C[C@H](C[C@@H]1N2)O.Cl N692100 COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]3c4c(cc5c(c4OC)OCO5)CCN3 N699900 c1ccc2c(c1)c3ccncc3[nH]2 N700000 [2H]c1c(c(c2c(c1[2H])c3c(c(nc(c3[nH]2)[2H])[2H])[2H])[2H])[2H] N700002 COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]3c4cc5c(cc4CCN3)OCO5 N705600 c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)C(=O)CC5)O N705750 CC(C)OC(=O)CC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)O)O)O N707500 COc1ccc(cc1O)C[C@H]2c3cc(c(cc3CCN2)OC)OC N710020 COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)OC N710040 COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC N710050 CCCC[C@@H](C(=O)O)N N712000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@@H](C(=O)O)N N712002 CCNCC(=O)Nc1c(cccc1C)C N713500 [2H]C([2H])([2H])C([2H])([2H])NCC(=O)Nc1c(cccc1C)C.Cl N713502 CNC[C@@H](c1ccc(c(c1)OC)OC)O N717000 [2H]C([2H])([2H])NC[C@@H](c1ccc(c(c1)OC)OC)O N717002 CCOC(=O)C1(CCNCC1)c2ccccc2.Cl N718500 [2H]C1(CC(CC(N1)([2H])[2H])(c2ccccc2)C(=O)OCC)[2H].Cl N718502 CC1(CC(=O)NC1=O)c2ccccc2 N720500 [2H]c1c(c(c(c(c1[2H])[2H])C2(CC(=O)NC2=O)C)[2H])[2H] N720502 COc1cc(ccc1O)C(CN)O.Cl N721500 [2H]C([2H])(C([2H])(c1ccc(c(c1)OC)O)O)N.Cl N721502 C[C@@H]1C2Cc3ccc(cc3[C@@]1(CCN2)C)O N721900 CC1[C@@H]2Cc3ccc(cc3[C@]1(CCN2)C)O N721910 CCC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2.Cl N733500 [2H]C([2H])([2H])CC(=O)C(CCN(C)C)(c1ccccc1)c2ccccc2.Cl N733502 C[C@]12CC[C@@H]3[C@H]4CC[C@@H](CC4=CC[C@H]3[C@@H]1CC[C@]2(C)O)O N734300 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)CC[C@H]34 N734500 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O N734502 CC(CNC)CN1c2ccccc2Sc3c1cc(cc3)OC.Cl N734605 C[C@H](CNC)CN1c2ccccc2Sc3c1cc(cc3)OC.Cl N734610 CCC(=O)N(c1ccccc1)[C@@H]2CCNC[C@@H]2C.Cl N734801 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)[C@@H]2CCNC[C@@H]2C.Cl N734802 c1ccc2c(c1)Cc3ccccc3N4C2CNCC4 N736800 c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](C=C5)O)O N740300 c1cc(cnc1)C2CCCN2 N756995 c1cc(cnc1)C2CCCN2 N757000 [2H]c1c(c(c(nc1[2H])[2H])C2CCCN2)[2H] N757010 c1cc(cnc1)C2CCCN2.C(C(C(=O)O)O)(C(=O)O)O N757020 c1cc(cnc1)C2CCC(N2)C(=O)O N757030 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4CCCCC4)n(n1)C N824300 CCCc1nc(c2n1[nH]c(nc2=O)c3cc(ccc3OCC)C(=O)O)C N824500 c1cc([nH]c1)c2cccnc2 N825000 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CC[C@H](C4)O)C)O N825070 [2H]C1(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C([C@@H]1O)([2H])[2H])CC[C@]4(CC)O)C)[2H] N825072 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(C4)O)C)O N825075 CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@H]3CC[C@@H](C4)O)C)O N825080 COc1ccc2c3c1O[C@@H]4[C@]35CCN[C@H](C2)[C@@]5(CCC4=O)O N825150 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN[C@H](C2)[C@@]5(CCC4=O)O N825152 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)O N825300 c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O N825310 c1cc(cc(c1)O)C(CN)O.Cl N825500 CCC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3.Cl N825550 [2H]C([2H])([2H])CC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3.Cl N825552 c1ccc2c(c1)cccc2OCC(CN)O.Cl N825600 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cccc2)O)N.Cl N825602 CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CNC.C(=C\C(=O)O)\C(=O)O N825700 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(c2ccccc2)(C(C)CNC)OC(=O)CC)[2H])[2H].C(=C\C(=O)O)\C(=O)O N825702 COc1ccc(cc1O)C[C@H]2c3cc(c(cc3CCN2)OC)O N825850 c1ccc(cc1)[C@@H](CO)C(=O)OC2CC3C4C(O4)C(C2)N3 N825880 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC(=O)[C@]3(C)CCC(=O)O N825900 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC(=O)[C@]3(C)CCC(=O)O N825910 C1CC2C34C[C@@H](N2C1)C=CC3=CC(=O)O4 N826000 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O)(C)C)O N826250 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O)(C)C)O N826252 CCCCCc1cc(c2c(c1)OC([C@@H]3[C@@H]2C=C(CC3)C(=O)O)(C)C)O N826255 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@@H]3[C@@H]2C=C(CC3)C(=O)O)(C)C)O N826257 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)OCC)(C)C)O N826260 COc1ccc2c3c1O[C@@H]4[C@]35CCN[C@H](C2)C5=CC=C4OC N826500 CNCC/C=C\1/c2ccccc2CSc3c1cccc3 N830050 Cc1c(sc[n+]1Cc2cncnc2N)CCO.[Cl-] N830500 CCOC(=O)[C@]1(CCC=C[C@H]1NC)c2ccccc2.Cl N831000 [2H]C([2H])([2H])N[C@@H]1C=CCC[C@]1(c2ccccc2)C(=O)OCC.Cl N831002 CNCCC=C1c2ccccc2CCc3c1cccc3.Cl N837000 [2H]C([2H])([2H])NCCC=C1c2ccccc2CCc3c1cccc3.Cl N837002 CN(CCC=C1c2ccccc2CCc3c1cccc3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O N837005 [2H]C([2H])([2H])N(CCC=C1c2ccccc2CCc3c1cccc3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O N837007 C1C[C@H]2C[C@H](C[C@@H]1N2)O N845700 C1C[C@H]2CC(=O)C[C@@H]1N2.Cl N845750 C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C N865300 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CC(=O)O)C)C)([2H])[2H])O N865302 C[C@H](CC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C N865305 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CC(=O)OC)C)C)([2H])[2H])O N865307 C[C@H](CC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C N865310 [2H][H]C1([C@H]2C[C@@H]([C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC([C@@]1([2H])O)([2H])[2H])C)C)[C@H](C)CC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)[2H] N865312 [2H][H]C1([C@H]2C[C@@H]([C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CC([C@@]1([2H])O)([2H])[2H])C)C)[C@H](C)CC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OCc6ccccc6)O)O)O)O)[2H] N865317 CC(C)[C@](CCCNCCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl N877490 CC(C)[C@](CCCNCCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl N877491 CC(C)C(CCCNCCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl N877500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])C(CCCNCCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl N877502 CC(C)C(CCCN(CCc1ccc(c(c1)OC)OC)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)(C#N)c3ccc(c(c3)OC)OC N877510 [2H]C([2H])([2H])C(C([2H])([2H])[2H])C(CCCN(CCc1ccc(c(c1)OC)OC)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)(C#N)c3ccc(c(c3)OC)OC N877512 CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3 N882000 [2H][13C]([2H])([2H])N1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3 N882002 C[N+]1(CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3)[O-] N882015 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OS(=O)(=O)c6ccc(cc6)[N+](=O)[O-] N887000 Cc1c(ccc2c1oc(=O)c(c2[O-])NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+] N888500 C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-] N894200 c1ccc(c(c1)/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] N894900 c1ccc(c(c1)/C=N/N2[13CH2][13C](=O)N[13C]2=O)[N+](=O)[O-] N894902 c1ccc(c(c1)/C=N/N2CC(OC2=O)CN3CCOCC3)[N+](=O)[O-] N894950 [2H]C1(C(OC(=O)N1/N=C/c2ccccc2[N+](=O)[O-])([2H])C([2H])([2H])N3CCOCC3)[2H] N894952 c1ccc(c(c1)/C=N/N2CCOC2=O)[N+](=O)[O-] N895000 [2H]C1(C(OC(=O)N1/N=C/c2ccccc2[N+](=O)[O-])([2H])[2H])[2H] N895002 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC/N=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)OC(=O)CCCCCCCCCCCCCCC N900100 CC/C(=C(/CC)\c1ccc(c(c1)CN(CC)CC)O)/c2ccc(c(c2)CN(CC)CC)O N900300 [2H]C([2H])(c1cc(ccc1O)/C(=C(\CC)/c2ccc(c(c2)C([2H])([2H])N(CC)CC)O)/CC)N(CC)CC N900302 CCC(=O)C1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O.Cl N900400 C1C2[C@@H]([C@@H]3C1C4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl N900440 c1cc(c(cc1NC(=S)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O N925000 c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4oc(cc5=O)N6CCOCC6 N925300 Cn1cc(ccc1=O)C(=O)O N925490 Cn1cc(ccc1=O)C(=O)N N925500 [2H]C([2H])([2H])n1cc(ccc1=O)C(=O)N N925502 CC(C)(C#N)c1ccc(cc1)n2c3c4cc(ccc4ncc3n(c2=O)C)c5cc6ccccc6nc5 N925750 CCCN1CCCC(C1)c2cccc(c2)S(=O)(=O)C O006162 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCC[C@H](C1)c2cccc(c2)S(=O)(=O)C O006163 c1c(cc[n+](c1)COC[n+]2ccc(cc2)/C=N/O)/C=N/O O100000 C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O)Cl O148490 [2H]c1c(c(c(c(c1[2H])[2H])C[C@H](C(=O)O)NC(=O)c2cc(c3c(c2O)C(=O)O[C@@H](C3)C)Cl)[2H])[2H] O148492 C[C@@H]1Cc2ccc(c(c2C(=O)O1)O)C(=O)N[C@H](Cc3ccccc3)C(=O)O O148500 [2H]c1c(c(c(c(c1[2H])[2H])C[C@H](C(=O)O)NC(=O)c2ccc3c(c2O)C(=O)O[C@@H](C3)C)[2H])[2H] O148502 CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cc(c3c(c2O)C(=O)O[C@@H](C3)C)Cl O148510 [2H]c1c(c(c(c(c1[2H])[2H])C[C@H](C(=O)OCC)NC(=O)c2cc(c3c(c2O)C(=O)O[C@@H](C3)C)Cl)[2H])[2H] O148512 C[C@H]1Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O O150000 c12c(c(c(c(c1Cl)Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 O185000 c12c3c(c(c(c(c3Cl)Cl)Cl)Cl)oc1c(c(c(c2Cl)Cl)Cl)Cl O185020 CCCCCCCCCCCCCCC/C=C/C=O O233700 CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC O234000 CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC O235000 CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](CO)OS(=O)(=O)C)O)O O235300 CCCC/C=C\CCCCCCCCC/C=C/C=O O235460 CCCC/C=C\CCCCCCCCC/C=C/CO O235470 CCCC/C=C\CCCCCCCCCCCC=O O235500 CS(=O)(=O)SCCCCCCCCSS(=O)(=O)C O235850 CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1 O236250 C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C O236450 C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C O236465 CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)C(=O)O)O O236475 CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)OCc4ccccc4)O O236480 C[C@H](CI)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C O236500 C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O O236900 C1CC[C@H]2[C@H](C1)C[C@H](N2)C(=O)O O236901 Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2 O236910 C[C@H](CI)[C@@H]1CC[C@@]2(C1CCCC2O)C O236920 C[C@H](CI)[C@@H]1CC[C@@]2(C1CCCC2=O)C O236925 C1CC[C@H]2CNC[C@H]2C1 O236945 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C O236990 CC(C)(C)OC(=O)N1CCN2CCNCC2C1 O237000 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7c(c6c8c5C(=O)NC8)CCCC7)CCCC4)NC)OC O237010 CC1(CC(c2c1c(c(c(c2Br)Br)Br)Br)(C)c3cc(c(c(c3Br)Br)Br)Br)C O237100 C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C O237150 [2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] O237202 CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C=C(\C)/C=C/CC(C)CCCC(C)CCCC(C)C)/C O237250 CCC(=O)CCC(=O)CC O237500 CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] O238000 CCCCCCCC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3C(C[C@H](O3)CO)O O238300 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O O238302 CCCCCCCC(=O)C1C(=O)OC(OC1=O)(C)C O238500 CCCCCCCC(=O)OCC(CO)O O238530 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCC)O)O O238532 CCCCCCCC(=O)OCC1[C@H]([C@@H](C([C@H](O1)O[C@]2(C([C@H]([C@H](O2)CO)O)O)CO)O)O)O O238580 C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O O238650 C[C@@]12c3cccc(c3C(=O)C4C1CC5[C@](C4=O)(C(=O)C(=C([C@@]5(O2)O)O)C(=O)N)O)O O238670 C/C=C/C=C/C=C/C=O O238950 CCOC(=O)C/C=C/C=C/C=C O238980 CCOc1cc(cc(c1OCC)OCC)c2c3cc(c(cc3ccn2)OC)OC.Cl O239020 C(C[13C]#N)/C=C/CC[13C]#N O239052 C(C[13C](=O)O)/C=C/CC[13C](=O)O O239102 CC/C=C/CCC(C)O O239200 CCCCCCCCn1c(=O)ccs1 O239300 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1c(=O)ccs1 O239302 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO O239650 CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(cc1)Cl O239700 c1cc(ccc1C(CN)O)O.Cl O239750 c1cc(ccc1[13CH]([13CH2][15NH2])O)O O239752 [2H]C([2H])(C([2H])(c1ccc(cc1)O)O)N.Cl O239753 C[C@H](C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)O O239850 CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)NC(=O)C(Cc5ccccc5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O O239950 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C([2H])(C(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)Cc3ccccc3)Cc4c[nH]c5c4cccc5)CCCCN)C(C)O)C(=O)NC(CO)C(C)O)N)[2H])[2H] O239952 CCCCCCCCO[C@H]1C([C@@H]([C@@H](O1)C(CO)O)O)O O241180 CCCCCCCCOC1[C@@H]([C@H]([C@@H](O1)[C@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C O241200 CCCCCCCCN1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 O241350 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CC(=O)N2[C@@H](c3c(c4ccccc4[nH]3)CC2C1=O)c5ccc6c(c5)OCO6 O241352 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O O241500 C[C@@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O O245740 [2H]C([2H])([2H])N1CCN(CC1)c2c(cc3c4c2OC[C@H](n4cc(c3=O)C(=O)O)C)F O245742 CC1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O O245750 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])c2c(cc3c4c2OCC(n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H] O245752 CC1COc2c3n1cc(c(=O)c3cc(c2N4CC[N+](CC4)(C)[O-])F)C(=O)O.CC(=O)O O245755 C[C@@H]1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O O245760 CC1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O O245765 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])c2c(cc3c4c2OCC(n4cc(c3=O)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)F)([2H])[2H])[2H] O245767 Cc1cc2c(s1)Nc3ccccc3N=C2N4CCN(CC4)C O253750 [2H]C([2H])([2H])N1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)C O253752 Cc1cc2c(s1)Nc3ccccc3N=C2N4CC[N+](CC4)(C)[O-] O253760 [2H]C([2H])([2H])[N+]1(CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)C)[O-] O253762 CC(=O)/C=C/1\C(=O)Nc2ccccc2N=C1N3CCN(CC3)C O253765 CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)C=O O253770 [2H]C([2H])([2H])N1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)C=O O253772 Cc1cc2c(s1)Nc3ccccc3N=C2N4CCN(CC4)C.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O.O O253775 [2H]c1c(c(c(c(c1CCCCCCCC)[2H])[2H])OCCO)[2H] O293772 CCCCCCCCc1ccc(cc1)O O293775 [2H]c1c(c(c(c(c1CCCCCCCC)[2H])[2H])O)[2H] O293777 CC(C)(C)CC(C)(C)c1ccc(cc1)O O293780 CC(C)(C)CC(C)(C)[13c]1[13cH][13cH][13c]([13cH][13cH]1)O O293782 [2H]c1cc(cc(c1C(C)(C)CC(C)(C)C)[2H])O O293783 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO O293795 CC(C)(C)CC(C)(C)[13c]1[13cH][13cH][13c]([13cH][13cH]1)OCCOCCO O293797 CCCCCCCCc1ccc(cc1)CCO O293810 CCCCCCCCc1ccc(cc1)CCOC(=O)C O293830 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCO O293840 CC(C)(C)CC(C)(C)[13c]1[13cH][13cH][13c]([13cH][13cH]1)OCCO O293842 CCCCCCCCc1ccc(cc1)CCI O293850 CCCCCCCCO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C O294500 CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C O294650 CCCCCCCCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O O295000 CCCCCCCCOC(=S)[S-].[K+] O297000 C#CCCCCCCO O297500 CCC(=O)N(c1ccccc1)C2CCN(CC2C)CC(c3ccccc3)O O415000 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2C)CC(c3ccccc3)O O415002 c1ccc2c(c1)c(n[nH]c2=O)Cc3cccc(c3F)C(=O)N4CCN(CC4)C(=O)C5CC5 O514500 Cc1c([n+](c2ccccc2[n+]1[O-])[O-])C(=O)NCCO O515000 [2H]C([2H])(C([2H])([2H])O)NC(=O)c1c([n+](c2ccccc2[n+]1[O-])[O-])C O515002 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C O517500 C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O O521000 CCCCCCCC/C=C\CCCCCCC[13C](=O)O O524200 CCCCCCCC/C=C\CCCCCCCC(=O)O O524201 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCCC(=O)O O524202 CCCCCCCC/C=C\CCCCCCC[13C](=O)OC O524400 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)C O526000 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)Cl O526790 [2H][C@@](C([2H])([2H])O)(C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)Cl O526792 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)O O526800 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)(C([2H])([2H])Cl)O O526802 CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CCl O526810 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\CCCCCCCC)O O526812 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC O527225 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O O527980 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)O)O O527982 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)O O528000 CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO O528020 [2H]C([2H])(C([2H])(C([2H])([2H])O)OC(=O)CCCCCCC/C=C\CCCCCCCC)O O528022 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C O528045 CCCCCCCC/C=C/CCCCCCCC(=O)OCC1COC(O1)(C)C O530000 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC O530400 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC O530402 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC O530500 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC O530502 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC O531350 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O O531400 CCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC/C=C\CCCCCCCC O532730 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O O532750 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CCl O532900 [2H][C@](C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCCCC O532902 CCCCCc1cc(cc(c1)O)O O533000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(cc(c1)O)O O533002 CCCCCc1cc(cc(c1)OC)OC O533010 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(cc(c1)OC)OC O533012 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)OCc5c(oc(=O)o5)C)C(C)(C)O O550000 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)C(C)(C)O O550001 [2H]C([2H])([2H])C(c1c(n(c(n1)CCC)Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)(C([2H])([2H])[2H])O O550002 [2H]C([2H])([2H])C(c1c(n(c(n1)CCC)Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)OCc5c(oc(=O)o5)C)(C([2H])([2H])[2H])O O550003 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)C(C)(C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O O550005 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)Cc5c(oc(=O)o5)C)C(=O)OCc6c(oc(=O)o6)C)C(C)(C)O.CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4Cc5c(oc(=O)o5)C)C(=O)OCc6c(oc(=O)o6)C)C(C)(C)O O550010 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)OCc5c(oc(=O)o5)C)C(C)(C)OC O550015 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)C)C(C)(C)O O550020 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)OC(=O)c5c(nc(n5Cc6ccc(cc6)c7ccccc7c8[nH]nnn8)CCC)C(C)(C)O O550025 CCCc1nc2c(n1Cc3ccc(cc3)c4ccccc4c5n[nH]nn5)C(=O)OC2(C)C O550030 Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO O567000 CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC=O O574990 CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O.Cl O575000 [2H]C([2H])([2H])N(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O.Cl O575002 CN(C)CC/C=C/1\c2ccccc2COc3c1cc(cc3)CC(=O)O O575005 C[N+](C)(CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O)[O-] O575010 [2H]C([2H])([2H])[N+](C)(CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O)[O-] O575012 CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CCO O575020 CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O O575300 c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)[O-])O)C(=O)[O-])O.[Na+].[Na+] O586000 [13cH]1[13cH][13c]([13c]([13cH][13c]1N=N[13c]2[13cH][13cH][13c]([13c]([13cH]2)C(=O)[O-])O)C(=O)[O-])O.[Na+].[Na+] O586002 Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)OC O635000 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)S(=O)Cc3c(c(c(cn3)C)OC)C O635002 Cc1c(ncc(c1OC)C(=O)[O-])CS(=O)c2[n-]c3ccc(cc3n2)OC.[Na+].[Na+] O635005 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([n-]2)S(=O)Cc3c(c(c(cn3)C(=O)[O-])OC)C.[Na+].[Na+] O635007 Cc1cnc(c(c1OC)C)C[S@](=O)c2[nH]c3ccc(cc3n2)OC.[NaH] O635010 Cc1c[n+](c(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)OC)[O-] O635015 Cc1cnc(c(c1OC)C)CSc2[nH]c3ccc(cc3n2)OC O635020 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)SCc3c(c(c(cn3)C)OC)C O635022 Cc1cnc(c(c1OC)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC O635025 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)S(=O)(=O)Cc3c(c(c(cn3)C)OC)C O635027 Cc1c[n+](c(c(c1OC)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC)[O-] O635030 Cc1c(ncc(c1OC)C(=O)OC)CS(=O)c2[nH]c3ccc(cc3n2)OC O635035 Cc1c(ncc(c1OC)C(=O)OC)CSc2[nH]c3ccc(cc3n2)OC O635040 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)SCc3c(c(c(cn3)C(=O)OC)OC)C O635042 CNC(=O)CSP(=O)(OC)OC O635500 C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.[K+] O845125 CCCCO[13C](=O)[13C](=O)OCCCC O845132 C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCCOCC(F)(F)F)CO)O)O)O O845150 CN1CCCN=C1/C=C/c2cccc(c2)O.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O O845250 c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3 O845400 c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O O845700 [2H]c1c(c(c(c(c1[2H])[2H])C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)[2H])[2H] O845702 CC(=O)OC1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3)Cl O845710 CC1CN2CC(=O)Nc3ccc(cc3C2(O1)c4ccccc4)Cl O846300 [2H]C1(C(OC2(N1CC(=O)Nc3c2cc(cc3)Cl)c4ccccc4)([2H])C([2H])([2H])[2H])[2H] O846302 c1cocn1 O846500 c1coc(n1)CC#N O846510 C1COCN1 O846525 C1COC(=O)N1 O846535 C1COC=N1 O846550 CC(C)(Cc1ccccc1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc2ccccc2 O846600 CCN(CC)CC#CCOC(=O)[C@@](c1ccccc1)(C2CCCCC2)O.Cl O868515 CCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl O868525 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(c2ccccc2)(C(=O)OCC#CCN(CC)CC)O)([2H])[2H])([2H])[2H])[2H].Cl O868527 CC[N+](CC)(CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O)[O-] O868530 [2H]C([2H])([2H])NC(=O)CSP(=O)(OC)OC O635502 Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O.Cl O655000 [2H]C([2H])([2H])n1c2ccccc2c3c1CCC(C3=O)Cn4ccnc4C.Cl O655002 c1cc2c(cc1OCCCc3nnnn3C4CCCCC4)CCC(=O)N2 O667480 Cc1cccc(c1C)N2CCN(CC2)CCCOc3ccc4ccc(=O)[nH]c4c3.Cl O667500 c1ccc(c(c1)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4)Br O667600 c1ccc2c(c1)/c(=N\N)/[nH]nc2NN O669200 c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)CCO O669600 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2c3ccccc3C=Cc4c2cccc4 O669602 Cc1cc(c(c(c1)O)C(=O)C)O O674500 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@@H]1C5)OC)O O675000 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@@H]1C5)OC)O O675002 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/c6ccc(c(c6)OC)O)C)C O675500 CCCCCCCCCCC[C@H](C[C@@H]1[C@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O O686450 CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O O686465 CCCCCCCCCCC[C@@H](C[C@@H]1[C@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O O686470 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O O686480 CCCCCCCCCCC[C@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686485 CCCCCCCCCCC[C@@H](C[C@@H]1[C@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686490 CCCCCCCCCCC[C@H](C[C@@H]1[C@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686495 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686500 [2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@@H](CCCCCCCCCCC)C[C@H]1[C@@H](C(=O)O1)CCCCCC)NC=O O686502 CCCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686505 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC)[C@H](C[C@H](CCCCCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O)O O686510 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CCSC)NC=O O686515 CCCCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O O686520 Cc1cc(c(cc1Cc2cnc(nc2N)N)OC)OC O686800 [2H]C([2H])([2H])Oc1cc(c(cc1OC([2H])([2H])[2H])Cc2cnc(nc2N)N)C O686802 Cc1ncc(n1CC(CCl)O)[N+](=O)[O-] O688500 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N O688800 c1c([nH]c(=O)[nH]c1=O)C(=O)O.O O691500 c1c([15nH][13c](=O)[15nH]c1=O)C(=O)O.O O691502 Cc1ccccc1C(c2ccccc2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O O695300 [2H]C([2H])([2H])N(C)CCOC(c1ccccc1)c2ccccc2C O695302 Cc1ccccc1C(c2ccccc2)OCC[N+](C)(C)[O-] O695310 [2H]C([2H])([2H])[N+](C)(CCOC(c1ccccc1)c2ccccc2C)[O-] O695312 C(C[C@H](C(=O)O)N)CN.Cl O695545 C(C[C@@H](C(=O)O)N)CN.Cl O695550 [13CH2]([13CH2][13C@@H]([13C](=O)O)[15NH2])[13CH2][15NH2].Cl O695552 [2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])N.Cl O695553 Cc1ccccc1CC(C)N.Cl O697300 [2H]C([2H])([2H])c1ccccc1CC(C)N.Cl O697302 COC(=O)c1ccc(c(c1)N)O O697500 CCC(CC)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O O700980 [2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(=CC1OC(CC)CC)C(=O)O)N O700982 CCC(CC)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OC O700990 [HH].CCC(CC)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.OOP(=O)=O O701000 [HH].[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(=CC1OC(CC)CC)C(=O)OCC)N.OOP(=O)=O O701002 [HH].CCC(CC)O[C@H]1C=C(C[C@H]([C@@H]1NC(=O)C)N)C(=O)OCC.OOP(=O)=O O701010 COCCOc1cc2c(cc1OCCO)c(ncn2)Nc3cccc(c3)C#C O702250 [2H]c1c(c(c(c(c1[2H])Nc2c3cc(c(cc3ncn2)OCCOC)OCCO)[2H])C#C)[2H] O702252 C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O O703500 C[C@@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O O703505 C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-] O712500 CC1[C@@H](C([C@@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O O714500 [2H]C1=C(C(OC1=O)([2H])[2H])[C@H]2CC[C@]3([C@@]2(C[C@H]([C@H]4[C@H]3CC[C@]5([C@@]4([C@@H](C[C@@H](C5)O[C@H]6[C@H](C([C@H](C(O6)C)O)O)O)O)CO)O)O)C)O O714502 CC(=O)OCCOCOC(=O)C O752250 [2H]C([2H])(C([2H])([2H])OC(=O)C)OCOC(=O)C O752252 Cc1c(c(no1)c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].O.[Na+] O758500 CC(C)Oc1cc(c(cc1Cl)Cl)n2c(=O)oc(n2)C(C)(C)C O758510 CCCOCCCCCCN1CC([C@H]([C@@H](C1CO)O)O)O O845000 CC(C)(C)c1nn(c(=O)o1)c2cc(c(cc2Cl)Cl)OCC#C O845015 c1ccc2c(c1)ncc3n2c(=O)on3 O845025 C(C(=O)C(=O)O)C(=O)O O845030 Cc1cccc(c1)NC(=O)C(=O)Nc2cccc(c2)C O845035 Cc1ccccc1NC(=O)C(=O)Nc2ccccc2C O845040 Cc1ccc(cc1)NC(=O)C(=O)Nc2ccc(cc2)C O845045 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C O845050 COc1cccc(c1)NC(=O)C(=O)Nc2cccc(c2)OC O845055 COc1ccccc1NC(=O)C(=O)Nc2ccccc2OC O845060 COc1ccc(cc1)NC(=O)C(=O)Nc2ccc(cc2)OC O845065 C[C@]12CC[C@H]3C(=CC[C@@H]4[C@@]3(COC(=O)C4)C)[C@@H]1CC[C@]2(C)O O845070 C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4] O845075 C1CC[C@@H]([C@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4] O845080 c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)NO O845090 CCOC(=O)/C=C/C#Cc1cccc(c1)NS(=O)(=O)c2ccccc2 O845095 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCCn4c5ccccc5[nH]c4=O O845100 C(=O)(C(=O)O)O O845120 [2H]C([2H])([2H])N(C(=O)CN(CCO)CC(=O)N(C([2H])([2H])[2H])C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2 O846602 CCCOc1ccc2c(c1)nc([nH]2)NC(=O)OC O846650 c1cc(c(cc1Cl)Cl)CO/N=C(\Cn2ccnc2)/c3ccc(cc3Cl)Cl.[N+](=O)(O)[O-] O846800 CN(C)C(=O)/C(=N/O)/SC O846850 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC4(CO4)C5=CC(=O)C=C[C@]35C O846900 C1C(CN(C1=O)CC(=O)N)O O846905 C1C(CN(C1=O)[13CH2][13C](=O)[15NH2])O O846907 C1[C@@H](CN(C1=O)CC(=O)N)O O846910 c1cc-2c(cc1Cl)Cc3c2c(cc(c3)Cl)C4CO4 O846915 C1[C@H](CN(C1=O)CC(=O)N)O O846920 CC(=O)OCC(C1CO1)OC(=O)C O846930 CCOC(=O)Cc1ccc(cc1)OCC2CO2 O846950 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)CC(=O)OCC)[2H] O846952 c1cc(ccc1CCO)OCC2CO2 O847000 [2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)CCO)[2H] O847002 COC(=O)c1ccc(cc1)OCC2CO2 O847040 COC(=O)CCc1ccc(cc1)OC[C@@H]2CO2 O847045 COC(=O)CCc1ccc(cc1)OC[C@@H]2CO2 O847050 c1cc2c(c(c1)OCC3CO3)c4c([nH]2)CCCC4 O847055 C1COCCN1c2c(nsn2)OCC3CO3 O847075 C1COCCN1c2c(nsn2)OC[C@@H]3CO3 O847080 C1COCCN1c2c(nsn2)OC[C@H]3CO3 O847081 c1cc2c(cccn2)c(c1)OCC3CO3 O847085 c1ccc(cc1)COc2ccc(c3c2[nH]c(=O)cc3)C4CO4 O847095 CCN1C(CCC1=O)CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC O847100 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)O O847110 [2H]C1(C[C@]2([C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)C([C@@H]1O)([2H])[2H])C)[2H] O847112 CC(C)c1c(c(c(n1CCC(CC(=O)CC(=O)[O-])O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] O847150 CC(C)c1c(c(c(n1CCC(=O)C[C@H](CC(=O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 O847155 C[C@]12CCC3[C@H]([C@@H]1CC[C@H]2C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C O847250 C[C@]12CCC3[C@H]([C@@H]1CC[C@H]2C(=O)OC)CC[C@@H]4[C@@]3(C=CC(=O)N4)C O847260 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CC=C4[C@@]3(C=CC(=O)N4)C O847270 CC(=O)c1cccc2c1oc(c2)C(CNC(C)(C)C)O.Cl O847500 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3C(=O)c6c5c(c(cc6)O)O4)CC7CC7)OC)O O847800 [2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3[C@]7(CC[C@]4([C@H]2C6=O)C[C@@H]7C(C)(C(C)(C)C)O)OC)O O847802 CC(=O)CC(=O)OCC(C)(C)OC(=O)C O848450 [2H]C([2H])([2H])C(COC(=O)CC(=O)C)(C([2H])([2H])[2H])OC(=O)C O848452 C[C@@H]1CCC(C(=O)[C@H]1CCC(=O)C)[C@@H](C)C=O O848480 c1c2c(cc(c1F)N3CCNC(=O)C3)n(cc(c2=O)C(=O)O)C4CC4 O849500 CC(C)(C)NCC(=O)c1ccc(c(c1)O)O O849610 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)c1ccc(c(c1)O)O O849612 C1C(CC1=O)C(=O)O O849740 C1CC(=O)C1CCCCCCCCCCC(=O)O O849800 C1COP(=O)(NC1=O)N(CCCl)CCCl O849900 CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C O850100 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O O850110 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC(=O)C4)C)C)O O850202 C1[C@@H](O[C@@H](C1O)CO)n2c3c(c(=O)[nH]c(n3)N)nc2O O850250 C1[C@H]([C@H](O[C@H]1n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2O)CO)O O850252 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(C1=O)C)O)F)C O855200 CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)OC(C)(C)C)O)O)OC(=O)c5ccccc5)[C@@]6(CO[C@@H]6C(=O)[C@@H]3O)OC(=O)C)C)O O855780 CC1=C2C(=O)C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C O855800 c1ccc2c(c1)C3CN=C(N3c4ccccc4C2=O)N O856500 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)O O856650 [2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C)C([C@@H]1O)([2H])[2H])C)[2H] O856652 CCc1cccc2c1[nH]c3c2C(=O)COC3(CC)CC(=O)O O856800 C=CC(=O)CCC(=O)O O856840 CCCN(C)C(=O)[C@H]1CN([C@@H]2CC3(c4c(cccc4NC3=O)C2=C1)O)C O856880 [2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1CC3(c4c2cccc4NC3=O)O)C(=O)N(C)CCC O856882 C1CN(P(=O)(OC1)NCCCl)C(=O)CCl O856950 [2H]C1(COP(=O)(N(C1([2H])[2H])C(=O)CCl)NCCCl)[2H] O856952 c1cc2c(c(c1)C(=O)O)C(=O)CC2 O857000 CN1CCC(=C2c3ccccc3CC(=O)c4c2scc4)CC1 O857245 CN1CCC(=C2c3ccccc3C(=O)Cc4c2ccs4)CC1 O857250 CCn1cc(c(=O)c2c1cc3c(c2)OCO3)C(=O)O O857500 [2H]C([2H])([2H])C([2H])([2H])n1cc(c(=O)c2c1cc3c(c2)OCO3)C(=O)O O857502 CN1CCN2c3c(cccn3)Cc4ccccc4C2C1=O O857990 [2H]C1(C(N2c3c(cccn3)Cc4ccccc4C2C(=O)N1C)([2H])[2H])[2H] O857992 CN1CCN2c3c(cccn3)C(=O)c4ccccc4C2C1 O858000 C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5=O)O)O O858150 c1cc(c2c3c1C(=O)[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O O858200 COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2=O)[C@@]5(CCC4=O)O)CC6CC6 O858210 c1ccc2c(c1)cccc2C(=O)CCC(=O)O O858220 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C(=O)C[C@H]3[C@@H]1CC[C@]2(C#C)O O858285 CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@H]34)C)C#C O858290 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCNC(=O)C3)C(=O)O O858300 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C(=O)C[C@H]3[C@@H]1CC[C@]2(C#C)O O858340 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C(=O)C[C@H]3[C@@H]1CC[C@]2(C#C)O O858350 [2H]C1=C2C(=O)C([C@@H]3[C@@H]([C@]2(CC(C1=O)([2H])[2H])[2H])CC[C@]4([C@H]3CC[C@]4(C#C)O)CC)([2H])[2H] O858352 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@H]3[C@@H]1C5=O)O O858400 CC/C=C/C(=O)N1[C@@H](COC1=O)c2ccccc2 O858600 C=CCCC(=O)N1[C@@H](COC1=O)Cc2ccccc2 O858610 c1ccc(cc1)NC(=O)CCCCCC(=O)O O858700 CCOC(=O)c1cccc(c1)CC(=O)c2ccccc2 O858720 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)CN\2CCS/C2=N\C(=O)C)[2H])[2H] O858732 c1ccc(cc1)COC(=O)C2CCC(=O)N2C3(c4ccccc4-c5c3cccc5)c6ccccc6 O858750 COC(=O)[C@@H]1CC(=O)CN1C2(c3ccccc3-c4c2cccc4)c5ccccc5 O858755 CCCNC1CCc2c(sc(n2)N)C1=O O858940 CCCCCC[C@@H](CC=C)C(=O)N1[C@@H](COC1=O)Cc2ccccc2 O858980 CCC(=O)N(c1ccccc1)C2(CCN(CC2)Cc3ccccc3)C(=O)OC O859000 CCC(=O)N([13c]1[13cH][13cH][13cH][13cH][13cH]1)C2(CCN(CC2)Cc3ccccc3)C(=O)OC O859002 CCCN1C(CCC1=O)CC(=O)O O859020 c1cc(cnc1)C(=O)CCC(=O)O O859160 c1cc(cnc1)C(=O)CCC(=O)ON2C(=O)CCC2=O O859180 c1cnccc1C(=O)CCC(=O)O O859190 CCOC(=O)CCC(=O)c1ccncc1 O859195 c1cc(cnc1)C(=O)CCC=O O859250 [13CH3][13C](=O)[13CH2]CC(=O)O O859922 c1cc(cnc1)C(=O)CCC2OCCO2 O860000 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C(CC(=O)CC(=O)[O-])O.[Na+] O861990 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C(=O)C[C@H](CC(=O)O)O O862000 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8=O)NC)OC O862500 CC1(CC(=O)CC(N1O)(C)C)C O864000 Cc1c(sc(=O)n1Cc2cnc(nc2N)C)CCO O864200 c1csc(n1)C(=O)CC#N O864250 c1ccc(c(c1)CN2CCC3C(=CC(=O)S3)C2)Cl O864400 [2H]c1c(c(c(c(c1[2H])CN2CCC3C(=CC(=O)S3)C2)Cl)[2H])[2H] O864402 c1ccc(c(c1)CN2CCc3c(ccs3)C2=O)Cl O864410 [2H]c1c(c(c(c(c1[2H])CN2CCc3c(ccs3)C2=O)Cl)[2H])[2H] O864412 CC[Si](CC)(CC)O[C@@H]1CC(=O)C(=C1)CCCCCCC(=O)OC O864900 c1c(c(cc(c1F)F)F)CC(=O)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2 O864950 c1c(c(cc(c1F)F)F)C/C(=C/C(=O)N2CCn3c(nnc3C(F)(F)F)C2)/N O865000 CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)CCC(=O)C O867000 CCOc1ccccc1OCC2CNC(=O)CO2 O867200 [2H]C1(C(OCC(=O)N1)([2H])C([2H])([2H])Oc2ccccc2OCC)[2H] O867202 c1cc(cc2c1cc(cc2)S(=O)(=O)[O-])Oc3ccc4cc(ccc4c3)S(=O)(=O)[O-].[Na+].[Na+] O867500 CCN(CC#CCOC(=O)[C@@](O)([C@H]1CCCCC1)c2ccccc2)CC.Cl O868510 c1ccc2c(c1)CC(=O)c3ccccc3N2C(=O)N O869250 [2H]c1c(c(c2c(c1[2H])CC(=O)c3ccccc3N2C(=O)N)[2H])[2H] O869252 c1ccc2c(c1)C=C(c3ccccc3N2C(=O)N)OS(=O)(=O)O O869255 c1ccc2c(c1)C=C(c3ccccc3N2C(=O)N)OC4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O O869260 c1ccc2c(c1)CC(=O)c3ccccc3N2C(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O O869265 c1ccc2c(c1)CC(=O)c3ccccc3N2C(=O)NS(=O)(=O)O O869270 c1ccc2c(c1)[nH]c(=O)n2CCCC(=O)O O869600 COC(=O)CN1C(=O)c2ccccc2S1(=O)=O O869775 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(C1=O)C)O)F)C O869850 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=CC(=O)C=C[C@]34C O869900 [2H]C([2H])(C(=O)C(=O)O)[13C]([2H])([2H])[2H] O869927 c1cc2c(cc1O)[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)O)CC5CCC5 O869935 CC(C(=O)C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O O869950 CC(C(=O)C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC O869975 CN(C)CCCC1(c2ccc(cc2C(=O)O1)C#N)c3ccc(cc3)F O869980 C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C O869985 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H] O869987 COC(=O)C(c1ccccc1Cl)N2CCC3C(=CC(=O)S3)C2.Cl O869990 [2H][13C]([2H])([2H])OC(=O)C(c1ccccc1Cl)N2CCC3C(=CC(=O)S3)C2.Cl O869992 c1ccc(cc1)C(=O)C(=O)c2ccc(cc2)CN3CCC(CC3)n4c5ccccc5[nH]c4=O O869995 c1ccc2c(c1)CC(=O)c3ccccc3N2 O870000 C1CCN2[C@H](C1)[C@H]([C@@H](C2=O)O)O O870005 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5=O)O)O O870010 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5=O)O)O O870012 CC1=CC(=O)CC(C1/C=C/C(=C/C#N)/C)(C)C O870015 CC(=O)O[C@H](c1ccnc2c1cc(cc2)OC)[C@@H]3C[C@@H]4CC[N@]3CC4=O O870020 c1ccc(cc1)C2CN(C(=O)N2)CCS O870025 c1cc(oc1)C(=O)C(=O)O O870030 CC(C)C(=O)c1ccc(cc1)C(C)C(=O)O O870035 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)[C@]2(C#C)O)O O870045 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)c4c3ccc(c4)O)C O870050 CC(=O)CCCCC1[C@@H]2[C@H](CS1)NC(=O)N2 O870055 c1([nH]c(=O)[nH]c(=O)n1)C(=O)[O-].[K+] O870060 c1([15nH][13c](=O)[15nH][13c](=O)[15n]1)C(=O)[O-].O.[K+] O870062 CCC(=O)CC(=O)O O870065 CN1CCN(CC1)C(=O)CCN2c3ccccc3Sc4c2cccc4 O870070 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)CCN2c3ccccc3Sc4c2cccc4)([2H])[2H])[2H] O870072 c1ccc(cc1)COc2ccc(c(c2)OCC3CO3)C(=O)/C=C/c4ccccc4 O870080 c1ccc(cc1)COc2ccc(c(c2)C(=O)/C=C/c3ccccc3)O O870100 CCC(=O)CCCCNC(=O)OC(C)(C)C O870120 C(CC=O)CC(C(=O)O)N O870140 CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)O O870155 CC(C)(C)OC(=O)N1CCC(CC1)N(CCCCC(=O)OCc2ccccc2)C(=O)OCc3ccccc3 O870170 CC/C=C\C[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O O870200 [2H]C([2H])([2H])C([2H])([2H])/C=C\C[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O O870202 CCCCC(=O)C(CCC)C(=O)OCC O870250 CCCC(C(=O)CC)C(=O)OC O870280 CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O)\C)/C O870350 CCCN(CCC)CCc1cccc2c1C(=O)C(=O)N2.Cl O870400 CC(C)NCC(=O)c1ccc(cc1)NS(=O)(=O)C.Cl O870425 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(=O)c1ccc(cc1)NS(=O)(=O)C.Cl O870427 CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)oc(=O)o6 O870430 C1CC(=O)O[C@@H]1C(=O)O O870435 CC1(CC(=O)C(C(N1)(C)C)C(=O)OC)C O870450 CCOC(=O)/C=C/1\CN(CCC1=O)C(c2ccccc2)(c3ccccc3)c4ccccc4 O870460 c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5=O O870475 CC(C)NCC(COc1ccccc1OCC=C)O O870500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccccc1OCC=C)O.Cl O870502 c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N O870560 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)OC.Cl O870600 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)OC.Cl O870602 [2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@]5(CCC4=O)O)C.Cl O870603 CC1(CC(C(N1[O-])(C)C)CN2C(=O)C=CC2=O)C O871000 CC1=C(C(N(C1(C)C)[O-])(C)C)CSS(=O)(=O)C O872370 CC1(C=C(C(N1O)(C)C)COS(=O)(=O)C)C O872400 CC1(CC(CC(N1[O-])(C)C)N2C(=O)C=CC2=O)C O873800 [2H]C1(C(C(C(N(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])([2H])N2C(=O)C=CC2=O)[2H] O873802 CC1(CC(C(N1O)(C)C)CSS(=O)(=O)C)C O873900 CC1(C[C@@H](C(N1O)(C)C)CSS(=O)(=O)C)C O873910 CC1(C[C@H](C(N1O)(C)C)CSS(=O)(=O)C)C O873920 CC1(C=C(C(N1O)(C)C)C(=O)ON2C(=O)CCC2=O)C O874000 CC1(C=C(C(N1O)(C)C)C=O)C O874300 CC1(C=C(C(N1[O-])(C)C)CSS(=O)(=O)C)C O875000 CC1(C=C(C([15N]1[O-])(C)C)CSS(=O)(=O)C)C O875002 [2H]C1=C(C(N(C1(C([2H])([2H])[2H])C([2H])([2H])[2H])[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])SS(=O)(=O)C O875050 [2H]C1=C(C([15N](C1(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])SS(=O)(=O)C O875100 CC1(C=C(C(N1O)(C)C)C(=O)NCCSS(=O)(=O)C)C O876000 CC1(C=C(C(N1O)(C)C)C(=O)NCCCCCCSS(=O)(=O)C)C O876050 CC1(C=C(C(N1O)(C)C)C(=O)NCCCSS(=O)(=O)C)C O876100 CC1(C=C(C(N1[O-])(C)C)CSSc2ccncc2)C O876200 C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O O876425 Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C.Cl O876470 [2H]C1(C(N=C(N1)Cc2c(cc(c(c2C)O)C(C)(C)C)C)([2H])[2H])[2H].Cl O876472 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C\O)/C(=O)C4)C O876500 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@]3([C@@H]1C5)O)O O876730 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@]3([C@H]1C5)O)O)O O876750 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@H]1C5)O)O)O O876755 [2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@H]3Cc5c4c(c(cc5)O)O2)C)O)([2H])[2H])([2H])O O876757 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)O O876800 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)O O876802 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O O876810 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O O876812 CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 O876950 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3 O876952 CC(C)[C@H]1[C@@H]2[C@H]([C@H]3C(=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)C(=O)c4c(cccc4O)[C@@]3(C)O)O O877500 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O O877501 [2H]C([2H])([2H])N([C@H]1[C@@H]2[C@H]([C@H]3C(=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)C(=O)c4c(cccc4O)[C@@]3(C)O)O)C([2H])([2H])[2H] O877502 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@@H]31)O)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O O877505 CC(=O)O O878500 c1cc(ccc1CO[C@H]2Cn3cc(nc3OC2)[N+](=O)[O-])OC(F)(F)F P122500 [2H]C1([C@@H](COc2n1cc(n2)[N+](=O)[O-])OC([2H])([2H])c3ccc(cc3)OC(F)(F)F)[2H] P122502 C=CCc1cccc(c1O)/C=N/NC(=O)CN2CCN(CC2)Cc3ccccc3 P132000 [2H]C1(C(N(C(C(N1Cc2ccccc2)([2H])[2H])([2H])[2H])CC(=O)N/N=C/c3cccc(c3O)CC=C)([2H])[2H])[2H] P132002 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C P132500 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] P132502 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O)C)OC(=O)C)C)[2H])[2H] P132503 CCCCCC(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O P132510 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)c5ccccc5)O)O)O)(COC(=O)c6ccccc6)O)OC(=O)C)O)C)OC(=O)C P132520 Cc1c(c(=O)n2c(n1)C(CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F P141000 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2O)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F P141002 Cc1c(c(=O)n2c(n1)C(CCC2)O)CC[N+]3(CCC(CC3)c4c5ccc(cc5on4)F)[O-] P141010 CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(c(c2=O)CCN3CCC(CC3)c4c5ccc(cc5on4)F)C P141020 [2H]C([2H])([2H])C([2H])([2H])C(=O)[N-]S(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C.[Na+] P193277 C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C P195300 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C)(C([2H])([2H])[2H])O P195302 C[C@H](/C=C/[C@H](C)C(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C[C@@H](C4)O)O)C P195310 C1[C@H](C([C@H]([C@@H](C1N)O[C@@H]2[C@H](C([C@@H](C(O2)CO)O)O)N)O[C@H]3[C@H](C([C@H](O3)CO)O[C@@H]4C(C([C@@H]([C@H](O4)CN)O)O)N)O)O)N P205650 c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F.Cl P205750 [2H]C1(C[C@H]([C@@H](CN1)C([2H])([2H])Oc2ccc3c(c2)OCO3)c4ccc(cc4)F)[2H].Cl P205752 c1cc(ccc1[C@H]2CCNC[C@@H]2COc3ccc4c(c3)OCO4)F.Cl P205755 c1cc(ccc1[C@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F.Cl P205765 c1cc(ccc1[C@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F.Cl P205770 c1cc(ccc1[C@@H]2CCNC[C@@H]2COc3ccc4c(c3)OCO4)F.Cl P205775 CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F P205795 CN1CC[C@H]([C@@H](C1)CO)c2ccc(cc2)F P205800 CN1CCC([C@H](C1)CO)c2ccc(cc2)F P205805 CN1CC[C@H]([C@@H](C1)COS(=O)(=O)C)c2ccc(cc2)F P205810 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2CN(CC[C@H]2c3ccc(cc3)F)C P205850 C1C=C2C(=CC(=O)O2)C(O1)O P206500 C1C=C2C(=CC(=O)O2)[13CH](O1)O P206502 CO[C@@H]1C2=CC(=O)OC2=CCO1 P206510 CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C P287570 CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C1=O)C P287575 C.CCC(=O)N(c1ccccn1)C(C)CN2CCCCC2 P287900 [2H]C([2H])([2H])C([2H])([2H])C(=O)N(c1ccccn1)C(C)CN2CCCCC2.C P287902 CC1([C@H](C1C(=O)OCc2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C P288500 [2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)COC(=O)C3C(C3(C)C)C=C(Cl)Cl)[2H])[2H] P288502 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OCc3ccccc3)C([2H])([2H])N(C)C P288900 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2OC(=O)CCCCCCCCCCCCCCC)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F P141022 CCCCCCCCCCCCCCCC(=O)O P144500 CCCCCCCCCCCCCCCC(=O)NCCSS(=O)(=O)C P145000 CCCCCCCCCCCCCCCC(=O)OCC(COCc1ccccc1)O P155000 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCc1ccc2ccc3cccc4c3c2c1cc4 P155100 CC[C@H]([C@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C.Cl P155490 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)Cl P156490 [2H][C@@](C([2H])([2H])O)(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)Cl P156492 CCCCCCCCCCCCCCCC(=O)OC[C@H](CCl)O P156500 [2H][C@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)(C([2H])([2H])Cl)O P156502 CCCCCCCCCCCCCCCC(=O)OC(CO)CCl P156510 [2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCC)O P156512 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCc1ccc(cc1)/C=C/C=C/C=C/c2ccccc2 P156600 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC P156900 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC P156910 CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C P157100 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O P157250 CCCCCCCCCCCCCCCC(=O)OC(CO)CO P157270 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O P157345 [2H]C([2H])([2H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)O)(C([2H])([2H])[2H])C([2H])([2H])[2H] P157347 CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C P157350 CCCCCCCCCCCCCCCC(=O)NC(C)C P158000 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC P158850 [2H][C@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC P158852 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CCl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC P158950 [2H][C@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)(C([2H])([2H])Cl)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC P158952 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC P160950 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC P161000 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO[13C](=O)[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3])COP(=O)(O)OCC[N+](C)(C)C P161002 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3] P161003 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC P162000 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CCl P163500 c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5.Cl P165795 c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5.Cl P165800 [2H][C@]1(CN2CCC1CC2)N3C(=O)c4cccc5c4[C@@H](C3([2H])[2H])CCC5.Cl P165802 c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@H]4CN5CCC4CC5.Cl P165805 c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@H]4CN5CCC4CC5.Cl P165810 c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4C[N+]5(CCC4CC5)[O-] P165815 CC(C)(CO)N.Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Br P166000 Cn1c2c(cc(c1=O)Oc3ccc(cc3F)F)cnc(n2)NC(CCO)CCO P167500 [2H]C([2H])(CC(CC([2H])([2H])O)Nc1ncc2cc(c(=O)n(c2n1)C)Oc3ccc(cc3F)F)O P167502 C(CN)C(O)(P(=O)(O)O)P(=O)(O)O P172490 [2H][H]C([2H])(C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O)N P172492 C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] P172500 c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O P173500 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])C(=O)O)O)Cc3c4c(c(c(c(c4c(c(c3O)C(=O)O)[2H])[2H])[2H])[2H])[2H])[2H])[2H] P173502 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@H]5OC(=O)C)[N+]6(CCCCC6)C)C P178500 CN(C)CC(=O)OC[C@@H]([C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O P179500 Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)NO P180500 Cc1c(c2ccccc2[nH]1)CCNCc3ccc(cc3)/C=C/C(=O)OC.Cl P180505 CC1(COC(=O)[C@@H]1O)C P182500 [2H]C([2H])([2H])C1(COC(=O)[C@@H]1O)C([2H])([2H])[2H] P182502 COc1ccnc(c1OC)C[S@H](c2[n-]c3ccc(cc3n2)OC(F)F)O.[Na+] P182990 COc1ccnc(c1OC)C[S@@H](c2[n-]c3ccc(cc3n2)OC(F)F)O.[Na+] P182995 COc1ccnc(c1OC)CS(=O)c2[n-]c3ccc(cc3n2)OC(F)F.[Na+] P183000 [2H]COc1c(c(c(nc1C([2H])([2H])S(=O)c2[nH]c3ccc(cc3n2)OC(F)F)[2H])[2H])OC([2H])([2H])[2H].[NaH] P183002 COc1cc[n+](c(c1OC)CS(=O)c2[nH]c3ccc(cc3n2)OC(F)F)[O-] P183010 COc1cc[n+](c(c1OC)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC(F)F)[O-] P183013 COc1ccnc(c1OC)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC(F)F P183016 COc1ccnc(c1OC)CSc2[nH]c3ccc(cc3n2)OC(F)F P183020 [2H]COc1c(c(c(nc1C([2H])([2H])Sc2[nH]c3ccc(cc3n2)OC(F)F)[2H])[2H])OC([2H])([2H])[2H] P183022 COc1cc[n+](c(c1OC)CSc2[nH]c3ccc(cc3n2)OC(F)F)[O-] P183030 COc1ccnc(c1OC)CSc2nc3cc(ccc3n2[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)OC(F)F P190000 CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2] P190300 CC(C)(CO)[C@H](C(=O)[15NH][13CH2][13CH2][13C](=O)[O-])O.[Ca+2] P190302 COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC.Cl P190500 [2H]C([2H])([2H])Oc1cc2ccnc(c2cc1OC)Cc3ccc(c(c3)OC)OC.Cl P190502 C1(=O)C(=O)NC(=O)N1 P191000 CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-] P191850 [2H]c1c([n+](c(c(c1c2c(c([n+](c(c2[2H])[2H])C)[2H])[2H])[2H])[2H])C)[2H] P191902 [2H]c1c(c(c(c(c1/N=N/c2c3ccccc3ccc2O)[2H])[2H])[N+](=O)[O-])[2H] P191977 Cn1cnc2c1c(=O)n(c(=O)[nH]2)C P192500 [2H]C([2H])([2H])n1c(=O)c2c([nH]c1=O)ncn2C P192502 CS(=O)(=O)SCc1ccc(cc1)CSS(=O)(=O)C P193250 CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)c2c(onc2c3ccccc3)C.[Na+] P193275 c1ccc2c(c1)c3c([nH]2)-c4ccccc4NC(=O)C3 P207500 Cc1ccc(cc1S(=O)(=O)N)Nc2nccc(n2)N(C)c3ccc4c(n(nc4c3)C)C P210925 C[C@H]1COc2c(c(cc3c2n1cc(c3=O)C(=O)O)F)C4(CC4)N.CS(=O)(=O)O P211000 C[C@@H]1COc2c(c(cc3c2n1cc(c3=O)C(=O)O)F)C4(CC4)N.CS(=O)(=O)O P211005 [2H]C1(C(C1(c2c(cc3c4c2OC[C@H](n4cc(c3=O)C(=O)O)C)F)N)([2H])[2H])[2H].CS(=O)(=O)O P211007 CCCCCCCCCCCCCC[C@H]([C@H](C(CO[C@@H]1C([C@H]([C@H](C(O1)CNC(=O)C)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O)O P215300 CN(C)Cc1c2ccccc2oc1C(=O)NCCOc3ccc(cc3)C(=O)NO P216400 COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO P216600 c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O P217450 Cc1cc(ccc1N(C)C)Cn2cnc3c2C[C@H](N(C3)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O.C(=O)(C(F)(F)F)O P217475 [2H]C([2H])([2H])N(c1ccc(cc1C)Cn2cnc3c2C[C@H](N(C3)C(=O)C(c4ccccc4)c5ccccc5)C(=O)O)C([2H])([2H])[2H].C(=O)(C(F)(F)F)O P217477 CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC[C@H](CCCCN)N P217480 CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3c(cccc3Cl)Cl P217490 CCN(CC)CCOc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl P217500 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)Nc2ncc3cc(c(=O)n(c3n2)C)c4c(cccc4Cl)Cl)N(CC)CC P217502 CCCN1CCC=C(C1)c2cc(no2)c3ccc(cc3)C.C(=O)(C(=O)O)O P217520 CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)N)c3cc(cc(c3)OC)OC P217550 c1cc(ccc1c2[nH]c(c(n2)c3ccncc3)c4ccc(cc4)F)[N+](=O)[O-] P217600 Cc1c(cc2c(c1CN3CCCCC3)[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-].C(CS(=O)(=O)O)O P217650 Cc1c(cc2c(c1CN3CCCC3)[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-].C(CS(=O)(=O)O)O P217660 CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC P217700 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)Nc1c(cc2cnc(nc2n1)NCCCCN(CC)CC)c3cc(cc(c3)OC)OC P217702 Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)Nc4ccc(cc4)N5CCOCC5 P217800 c1cc(c(cc1I)Cl)Nc2c(cc(c(c2F)F)Br)C(=O)NOCC3CC3 P218100 c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOCC3CC3 P218250 c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O P218280 CN(c1ccccc1CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C P218290 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCN(CC3)C)C(=O)O.CS(=O)(=O)O P218300 C[C@H]1C[C@@H]2C([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 P218400 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O.[Cl-] P218500 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@@H]4[C@@H](C([C@@H](C(O4)CO)O)O)O)O.[Cl-] P218510 CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F P218700 [2H]C([2H])([2H])N(C/C=C/C(=O)Nc1cc2c(cc1OCC)ncc(c2Nc3ccc(c(c3)Cl)F)C#N)C([2H])([2H])[2H] P218702 c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+] P219490 c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+] P219500 [2H]C([2H])(C(=O)[O-])C([2H])([2H])C([2H])(C(=O)[O-])NC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N.[Na+].[Na+] P219502 COC(=O)CC[C@H](C(=O)OC)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N P219525 COC(=O)CC[C@H](C(=O)OC)NC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N P219535 Cc1cccn2c1ncc(c2=O)c3[n-]nnn3.[K+] P219800 c1ccc(cc1)C2C(=O)N=C(O2)N P220100 [2H]c1c(c(c(c(c1[2H])[2H])C2C(=O)N=C(O2)N)[2H])[2H] P220102 CC(C)(C)NC[C@H](COc1ccccc1C2CCCC2)O.Cl P220490 CC(C)(C)NC[C@@H](COc1ccccc1C2CCCC2)O.Cl P220495 CC(C)(C)NCC(COc1ccccc1C2CCCC2)O.Cl P220500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1ccccc1C2CCCC2)O.Cl P220502 c1nc2c(=O)[nH]c(nc2n1CCC(CO)CO)N P221500 [2H]C([2H])(C(CO)CO)C([2H])([2H])n1cnc2c1nc([nH]c2=O)N P221502 CCC(CC)Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-] P221900 [2H]C([2H])(C)C([2H])(C([2H])([2H])C)Nc1c(cc(c(c1[N+](=O)[O-])C)C)[N+](=O)[O-] P221902 CC(C)([C@H](C(=O)O)N)S P223000 CC(C)([C@@H](C(=O)O)N)S P223005 [2H]C([2H])([2H])C([C@@H](C(=O)O)N)(C([2H])([2H])[2H])S P223007 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C.[K+] P223500 [2H]c1c(c(c(c(c1[2H])[2H])OCC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)[2H])[2H] P223502 CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2ccccc2)C(=O)O)C P223515 CC(=O)OC[C@@H]([C@H]([C@H]1[C@@H]([C@H](CC(O1)(C(=O)OC)OC(=O)C)OC(=O)C)NC(=O)COC(=O)C)OC(=O)C)OC(=O)C P224300 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)CO)O)O P225000 C[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(COC(=O)C)COC(=O)C)I)C(=O)NC(COC(=O)C)COC(=O)C)I)OC(=O)C P227000 C(CN(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CCN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] P227250 C(CCCCSCCCCCCCCCBr)CCCCSCCCC(C(F)(F)F)(F)F P227255 C(CCCCO)CCCCSCCCCCCCCCSCCCC(C(F)(F)F)(F)F P227260 C[C@]12CC[C@@H]3c4ccc(cc4CC([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O P227275 C(COCCOCCOCCOCCOCCC(=O)O)C(=O)O P227300 CO[C@@H]1CO[C@H]([C@@H]([C@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]2CO[C@H]([C@@H]([C@H]2OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]3CO[C@H]([C@@H]([C@H]3OS(=O)(=O)[O-])O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)[O-])OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]5CO[C@H]([C@@H]([C@H]5OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] P227325 c1nc2c(n1[C@H]3C[C@H]([C@H](O3)CO)O)N=CNC[C@H]2O P227350 C=CCCCN P227400 C/C=C/C#C P227430 C1CCc2nnnn2CC1 P227500 [2H]C1(Cc2nnnn2CC(C1([2H])[2H])([2H])[2H])[2H] P227502 CC(C)CCCC(C)CCCC(C)CCCC(=O)C P227550 C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O P227570 [2H]C1=C(C(OC1=O)([2H])[2H])[C@H]2CC[C@]3([C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C)O)OC)O)C=O)C)O P227572 CCC(=O)N(c1ccccc1)C(C)CN2CCCCC2.Cl P227600 [2H]C([2H])([2H])C([2H])([2H])C(=O)N(c1ccccc1)C(C)CN2CCCCC2.Cl P227602 CC(COc1ccccc1)N(CCCl)Cc2ccccc2.Cl P227990 [2H]c1c(c(c(c(c1[2H])[2H])OCC(C)N(CCCl)Cc2ccccc2)[2H])[2H].Cl P227992 C[C@H](COc1ccccc1)N(CCCl)Cc2ccccc2.Cl P227995 C[C@@H](COc1ccccc1)N(CCCl)Cc2ccccc2.Cl P228000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C P230100 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C P230105 CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@]2([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)CO)CO P230155 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)CO)OC(=O)C)OC(=O)C)O P230160 c1cc(ccc1C(=O)O)NCCCCCNc2ccc(cc2)C(=O)O P232500 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 P237480 c1ccc(cc1)C(=O)OC[C@@H]([C@H]2[C@@H]([C@H](C(O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 P237500 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 P237525 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 P237750 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)O[C@@]5(C[C@@H](C([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)OC)O)COCc6ccccc6)OC)NC(=O)C)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 P237800 c1c2c(cc(c1Cl)Cl)Oc3c(cc(c(c3Cl)Cl)Cl)O2 P237950 c1c2c(cc(c1Cl)Cl)oc3c2c(c(c(c3)Cl)Cl)Cl P237970 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O P238100 [2H][C@]1([C@H](O[C@@H]2[C@]([C@@]1([2H])OC(=O)C)(OC(O2)(C)OC)[2H])C([2H])([2H])OC(=O)C)OC(=O)C P268000 C=C/C=C/C(=O)O P268350 [2H]C([2H])(C(C([2H])([2H])O)(C([2H])([2H])O)C([2H])([2H])O)O P269952 C(C(CO)(CBr)CBr)O P269970 [2H]C([2H])(C(C([2H])([2H])O)(C([2H])([2H])Br)C([2H])([2H])Br)O P269972 C(C(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)(CBr)CBr)O P269975 CCCCCC(=O)OCC(COC(=O)CCCCC)(COC(=O)CCCCC)COC(=O)CCCCC P270000 CS(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C P270250 c1c(c(c(c(c1F)F)F)F)F P270280 c1(c(c(c(c(c1F)F)F)F)F)C(=O)Cl P270300 C(CC(C(F)(F)F)(F)F)CO P270325 C(CCCCO)CCCCSCCCC(C(F)(F)F)(F)F P270335 C1CNC1c2c(c(c(c(c2F)F)F)F)F.Cl P270350 c1c(cc(c(c1O)O)O)C(=O)OCC2[C@@H](C([C@@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O P270450 C(CN(CC(=O)O)CC(=O)O)N(CC(C(=O)NN)N(CC(=O)O)CC(=O)O)CC(=O)O P271000 COc1cc2c(c(c1)OC)C(=O)CC(O2)c3cc(c(c(c3)OC)OC)OC P271700 COc1cc2c(c(=O)cc(o2)c3cc(c(c(c3)OC)OC)OC)c(c1)OC P271750 C1CCC2(CC1)CC(=O)NC(=O)C2 P271755 C1CCC2(CC1)CCNCC2.Cl P271760 Cc1ccc2c(c1)C(CCC2(C)C)(C)C P271765 Cc1ccc2c(c1)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3] P271767 Cc1cc2c(cc1C(=O)c3ccc(cn3)C(=O)OC)C(CCC2(C)C)(C)C P271770 Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)OC)C(CCC2(C)C)(C)C P271775 Cc1cc2c(cc1C(=C)c3ccc(cn3)C(=O)OC)C(CCC2(C)C)(C)C P271780 c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N P272500 c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N.C(CS(=O)(=O)O)O P272501 c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)NO P272510 c1cc(ccc1C(=N)NO)OCCCCCOc2ccc(cc2)C(=N)NO P272515 CS(=O)(=O)SCCCCCSS(=O)(=O)C P273250 C(C(C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] P273500 C(COCCOCCOCCOCCOCCN)N P273710 C(COCCOCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-] P273725 C(COCCOCCBr)OCCOCCOCCBr P273740 CS(=O)(=O)SCCOCCOCCOCCOCCOCCSS(=O)(=O)C P273750 C#CCOCCOCCOCCOCCOCCOS(=O)(=O)c1ccccc1 P273850 CCOP(=O)(OCCOCCOCCOCCOCCOCC#C)F P273900 c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)OCc4ccccc4)C(=O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)OC(=O)c6cc(c(c(c6)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9)OC(=O)c1cc(c(c(c1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OC(=O)c1cc(c(c(c1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OC(=O)c1cc(c(c(c1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 P274050 C[Si](C)(C)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C P274125 C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C P274126 C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C P274200 CC1[C@H]2Cc3ccc(cc3[C@]1(CC[N@@]2CC=C(C)C)C)O P274290 CC1[C@@H]2Cc3ccc(cc3[C@@]1(CC[N@]2CC=C(C)C)C)O P274295 CC1[C@@H]2Cc3ccc(cc3[C@]1(CCN2CC=C(C)C)C)O P274300 [2H]C(=C(C([2H])([2H])[2H])C([2H])([2H])[2H])CN1CC[C@@]2(c3cc(ccc3C[C@H]1C2C)O)C P274302 C=CCCCO P274500 CC(C)CC(CCN(C(C)C)C(C)C)(c1ccccn1)C(=O)N P275600 [2H]C([2H])(C([2H])([2H])N(C(C)C)C(C)C)C(CC(C)C)(c1ccccn1)C(=O)N P275602 CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+] P276000 c1cc-2nc(nc2n(c1)CCCC[C@@H](C(=O)O)N)NCCC[C@@H](C(=O)O)N P276300 [2H][13C]([2H])(CCC[C@@H](C(=O)O)N)n1cccc-2nc(nc12)NCCC[C@@H](C(=O)O)N P276302 CC(=O)CCCCn1c(=O)c2c(ncn2C)n(c1=O)C P276500 [2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])CCCCC(=O)C P276502 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O P276600 [2H]C1(C(C(C(C1([2H])[2H])(c2ccccc2)C(=O)OCCOCCN(CC)CC)([2H])[2H])([2H])[2H])[2H] P276602 C1C2C(C(S1)CCCCC(=O)NCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)NC(=O)N2 P279750 CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)CC P279900 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)CC P279902 CCC(CC)C1C(=O)NC(=O)N1 P280150 CCCCCn1ccc2c1cccc2 P280200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1ccc2c1cccc2 P280202 CCCCCSS(=O)(=O)C P283500 CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC P283600 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)OC P283602 CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)C P283620 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)C P283622 CCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 P283650 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 P283652 CCCCCOC(=O)c1ccc(cc1)O P283800 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)c1ccc(cc1)O P283802 CCCCCc1cnccn1 P284150 CCCCCOc1ccc2c(c1)oc-3cc(=O)ccc3n2 P284200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)oc-3cc(=O)ccc3n2 P284202 CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)O P284550 CCCCCOS(=O)(=O)N P284600 C#CCCC(=O)O P284900 CS(=O)(=O)SCCCC#C P285000 Cc1ccc(cc1)S(=O)(=O)OCCCC#C P285050 Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN[C@H](C)c7ccccc7)O.OS(=O)(=O)O P285250 CC(=O)OO P285350 [2H]C([2H])([2H])C(=O)OO P285352 CCC(CC)[C@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C P285500 CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N[13C](=[15NH])[15NH2])NC(=O)C P285502 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cccc4 P285800 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cccc4)([2H])[2H])[2H] P285802 CN1CCN(CC1)CCCN2c3ccccc3S(=O)c4c2cccc4 P285820 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccccc3S(=O)c4c2cccc4)([2H])[2H])[2H] P285822 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[C](c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl)c3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl P286100 C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F P286505 CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC P287200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC.CS(=O)(=O)O P287202 CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CS(=O)(=O)C P287210 CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CS(=O)C P287220 C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=C\C(=O)O)\C(=O)O P287320 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C(C2CCCCC2)CC3NCCCC3)[2H])([2H])[2H])([2H])[2H])[2H].CC(NC[C@@H](O)COc1nsnc1N2CCOCC2)(C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O P287322 c1ccc2c(c1)N(c3cc(ccc3S2)C#N)CCCN4CCC(CC4)O P287360 [2H]C1(CC(CC(N1CCCN2c3ccccc3Sc4c2cc(cc4)C#N)([2H])[2H])O)[2H] P287362 CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C P287380 CC(=C)[C@@H]1CCC(=CC1)C=O P287400 CC(=C)[C@@H]1CCC(=CC1)S(=O)c2ccccc2 P287430 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O P287500 CCC[C@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O P287501 [2H][C@@](C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O)(C([2H])([2H])[2H])N[C@H](CCC)C(=O)OCC P287502 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O.CC(C)(C)N P287505 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC)C(=O)OCC.CC(C)(C)N P287507 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P287510 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P287511 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N[C@@H](CCC)C(=O)OCC P287512 CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)OCc3ccccc3 P287515 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)N[C@H](CCC)C(=O)OCC P287517 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)N[C@@H](CCC)C(=O)OCC P287518 CCC[C@@H](C(=O)OCC)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C1=O)C P287525 CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O P287530 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC)C(=O)O P287532 CCC[C@@H](C(=O)OC(C)C)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O P287540 CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P287560 [2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N[C@@H](CCC)C(=O)O P287562 c1ccc2c(c1)c(ns2)N3CCN(CC3)CCCCN4C(=O)[C@@H]5CCCC[C@@H]5C4=O.Cl P290300 C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O)OO P291100 c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CCN(CC4)CCO P291102 [2H]C1(C(N(C(C(N1CCCN2c3ccccc3Sc4c2cc(cc4)Cl)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H].C1[C@H]([C@@H]([C@H](C1=O)CCC(=O)O)CCC(C(CCCC(=O)O)(F)F)O)O P292500 CC1(C(NC(S1)CNC(=O)COc2ccccc2)C(=O)O)C P298250 c1ccc(cc1)OCCNCc2cccs2.Cl P299450 c1ccc(cc1)COc2cccc3c2nc([nH]3)COc4ccccc4 P301320 CCOC(=O)/C=C/c1ccc(cc1)OCc2ccccc2 P301330 c1ccc(cc1)OCc2nc3c(n2CCCC4CCNCC4)cccc3OCCCN5CCCCC5 P301350 c1ccc(cc1)Oc2ccc(c(c2)C#N)C#N P301600 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(c3)O.Cl P302550 [2H]C1(C(N=C(N1)CN(c2ccc(cc2)C)c3cccc(c3)O)([2H])[2H])[2H].Cl P302552 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(c3)O.CS(=O)(=O)O P302560 CN1C2C[C@@H](CC1CC2)OC(=O)Cc3ccccc3 P306100 [2H]c1c(c(c(c(c1[2H])[2H])CC(=O)O[C@H]2CC3N(C(C2)CC3)C)[2H])[2H] P306102 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C P306250 CC(=O)[C@@H](c1ccccc1)O P306300 c1ccc(cc1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O P306500 [2H]c1c(c(c(c(c1[2H])[2H])CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[2H])[2H] P306502 c1ccc(cc1)CC(=O)NCC(=O)O P306550 [2H]c1c(c(c(c(c1[2H])[2H])CC(=O)NCC(=O)O)[2H])[2H] P306552 c1ccc(cc1)CN2CCC(CC2)(C#N)Nc3ccccc3 P307480 c1ccc(cc1)CN2CCC(CC2)(C#N)N[13c]3[13cH][13cH][13cH][13cH][13cH]3 P307482 c1ccc(cc1)CN2CCC(CC2)(C(=O)N)Nc3ccccc3 P307485 c1ccc(cc1)CN2CCC(CC2)(C(=O)N)N[13c]3[13cH][13cH][13cH][13cH][13cH]3 P307487 c1ccc(cc1)CN2CCC(CC2)(C(=O)O)Nc3ccccc3 P307490 c1ccc(cc1)CN2CCC(CC2)(C(=O)O)N[13c]3[13cH][13cH][13cH][13cH][13cH]3 P307492 COC(=O)C1(CCN(CC1)Cc2ccccc2)Nc3ccccc3 P307500 COC(=O)C1(CCN(CC1)Cc2ccccc2)N[13c]3[13cH][13cH][13cH][13cH][13cH]3 P307502 CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)Nc4ccccc4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C P307800 CCOCCN(C(=O)CS(=O)(=O)[O-])C(=C(C)C)c1ccccc1.[Na+] P293500 C[C@H](CCCOC(=O)CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C P293515 C[C@@H](CCCOS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+] P293526 C[C@H](CCCOS(=O)(=O)[O-])C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C.[K+].[K+].[K+].[K+] P293550 COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O.[Cl-] P293610 C[C@@]1(CN(C[C@@]1(C)CO)c2cc(c(cn2)Cl)C(=O)Nc3ccc4c(c3)-c5c(c(nn5c6ccc(cc6)F)C(=O)N)CC4)CO P293750 c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)CC3CCN(CC3)C(=O)Nc4cccnc4 P293760 c1ccc(cc1)NC(=O)N2CCC(CC2)Cc3cc4ccccc4nc3 P293800 Cn1cc(cn1)c2c3c4c(cc(cc4[nH]2)NC(=O)[C@@H](C5CCCCC5)N)C(=O)NN=C3 P293825 CC(CN1CCOc2c(n(nc2C1=O)c3ccccc3Cl)c4ccc(cc4)Cl)(F)F P293900 c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F P293960 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2cnc(c2c3ccnc(n3)N)c4ccc(cc4)F)([2H])[2H])([2H])[2H])[2H] P293962 Cc1cccc2c1[C@@H](CCO2)Nc3cc(cn4c3nc(c4)C)C(=O)N(C)CCO P293980 CS(=O)(=O)O.c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3 P293990 CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F P294010 c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N.Cl P294035 C[C@@](CCn1ccc(cc1=O)c2ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C P294040 C[C@@H]1CCN(CC1[N@@](C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4 P294050 [C-]#[N+]c1ccc(cc1C(F)(F)F)[C@H]2CCCC[C@H]2O P294060 C1[C@@H]([C@@H]([C@H]([C@H]1O)C/C=C\CC(=O)O)CCC(=O)CCC(=O)O)O P294080 C1[C@@H]([C@@H]([C@H]([C@H]1O)C/C=[13CH]\[13CH2][13C](=O)O)CCC(=O)CCC(=O)O)O P294082 C1[C@H]([C@@H]([C@H](C1=O)CC(=O)O)CCC(=O)CCCCC(=O)O)O P294100 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H](C(O1)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)OC3[C@H](C([C@H]([C@@H](O3)C)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O P294200 c1coc2c1cc(nc2)C(=O)N[C@H]3CN4CCC3CC4 P294400 Cc1c([nH]c(c1C(=O)N2CCC[C@@H]2CN3CCCC3)C)/C=C\4/c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl P294425 c1cc2c(cc1S(=O)(=O)[O-])N=c3cc4c(=Nc5cc(ccc5N4)S(=O)(=O)[O-])cc3N2.[Na+].[Na+] P294500 c1cc2ccc1C(=O)OCCCCOC(=O)c3ccc(cc3)C(=O)OCCCCOC2=O P294550 CCOc1ccc(cc1)NC(=O)C P294580 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)NC(=O)C P294582 Cc1cc2c(cc1C(=O)C)C(C(C2(C)C)C)(C)C P294650 CCC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3.Cl P294700 [2H]C([2H])([2H])CC(=O)C(CC(C)N1CCOCC1)(c2ccccc2)c3ccccc3.Cl P294702 c1ccc2c(c1)cc[13c]3[13c]2[13cH][13cH][13cH][13cH]3 P294802 [13cH]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13c]3[13c]2[13cH][13cH][13cH][13cH]3 P294803 c1ccc2c(c1)[13cH][13cH]c3c2cccc3 P294804 B(c1cc2ccccc2c3c1cccc3)(O)O P294810 c1ccc2c(c1)ccc3c2C4C(O4)C=C3 P294815 c1ccc2c(c1)c3ccccc3[nH]c2=O P294900 c1ccc2c(c1)ccc3c2ccc(c3)O P295005 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c(c(c3[2H])O)[2H])[2H])[2H])[2H])[2H])[2H] P295007 c1ccc2c(c1)ccc3c2cc(cc3)O P295010 [2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c(c(c3[2H])[2H])O)[2H])[2H])[2H])[2H])[2H] P295012 c1ccc2c(c1)ccc3c2c(ccc3)O P295015 c1ccc2c(c1)cc(c3c2cccc3)O P295020 c1cc2cc(c3cccnc3c2nc1)N P295030 c1cc2ccc3cccnc3c2nc1 P295040 c1cc2cc(c3cccnc3c2nc1)N4C(=O)C=CC4=O P295055 c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Br)Cl P295300 [2H]c1cc(cc2c1NC(=O)CN=C2c3c(c(c(c(c3Cl)[2H])[2H])[2H])[2H])Br P295302 c1ccc2c(c1)nc3cccc(c3n2)C(=O)O P295325 C[C@H]1C2Cc3ccc(cc3C1(CCN2CCc4ccccc4)C)O P295400 [2H]c1c(c(c(c(c1[2H])[2H])CCN2CCC3(c4cc(ccc4CC2[C@@H]3C)O)C)[2H])[2H] P295402 c1ccc(cc1)C2(CCCCC2)N3CCCCC3.Cl P295500 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCCCC2)N3CCCCC3)[2H])[2H].Cl P295502 C[C@H]1[C@@H](OCCN1C)c2ccccc2 P295800 [2H]C([2H])([2H])N1CCO[C@H]([C@@H]1C)c2ccccc2 P295802 c1ccc(cc1)CCNN.OS(=O)(=O)O P295900 [2H]C([2H])(c1ccccc1)C([2H])([2H])NN.OS(=O)(=O)O P295902 c1ccc(cc1)CCO P296000 [2H]c1c(c(c(c(c1[2H])[2H])CCO)[2H])[2H] P296002 c1ccc(cc1)CCN=C=S P296100 CCOc1ccc(cc1)N P296300 [2H]C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)N.Cl P296302 c1ccc(cc1)CCNC(=N)NC(=N)N.Cl P296900 CN1CCC2=C(C1)C(c3c2cccc3)c4ccccc4 P297000 [2H]C([2H])([2H])N1CCC2=C(C1)C(c3c2cccc3)c4ccccc4.Cl P297002 CN(C)CCC(c1ccccc1)c2ccccn2.C(=C\C(=O)O)\C(=O)O P297200 Cc1cccc(c1OCC(C)NCCc2ccc(c(c2)OC)OC)C.Cl P297500 [2H]c1c(c(c(c(c1[2H])C)OCC(C)NCCc2ccc(c(c2)OC)OC)C)[2H].Cl P297502 c1ccc(cc1)Oc2cccc(c2)C=O P297800 [2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)C=O)[2H])[2H] P297802 COC(=O)/C(=C\Nc1ccccc1)/C=C/C(=O)O P308000 c1ccc(cc1)c2c3ccccc3cc4c2cccc4 P308500 CC(=C)C(=O)OCc1cc2ccccc2c3c1cccc3 P312500 c1ccc(cc1)/N=N/c2ccc(nc2N)N.Cl P313750 c1ccc(cc1)/N=N/c2ccc(nc2N)N P313751 c1ccc(cc1)C2CC(=O)NCCN2.Cl P319710 [2H]C1(C(NC(=O)CC(N1)c2ccccc2)([2H])[2H])[2H].Cl P319712 c1cc(ccc1CC(=O)O)CC(=O)O P319715 C[C@H]1[C@H]2[C@H]([C@H]([C@@H](O1)Sc3ccccc3)O)O[C@@]([C@](O2)(C)OC)(C)OC P319720 CCOC(=O)Cc1ccc(cc1)CC(=O)OCC P319725 [2H]c1c(c(c(c(c1[2H])[2H])C2=NC(CO2)(C)C)[2H])[2H] P319737 COC(=O)CNc1ccc(cc1)NCC(=O)OC P319770 c1ccc(c(c1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O P319800 c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O P319810 c1cc(cc(c1)n2cncn2)n3cncn3 P319830 c1cc(cc(c1)[15n]2cnc[15n]2)[15n]3cnc[15n]3 P319832 c1cc(cc(c1)N)N P319835 c1ccc(c(c1)N)N P319840 c1cc(ccc1N)N P319845 [2H]c1c(c(c(c(c1N)[2H])[2H])N)[2H] P319847 c1cc(ccc1NCC(=O)O)NCC(=O)O P319850 [2H][13C]([2H])([13C@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)N)O P398992 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O P399000 CCCCCCCCCCCCCCCC[C@H]([C@H]([C@@H](CO)N)O)O P399045 CCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O P399050 CCC(C)OC(=O)N1CCCCC1CCO P436000 CCC(C)OC(=O)N1CCCCC1CCO P436002 c1cc(c(cc1/C=C\c2cc(cc(c2)O)O)O)O P436295 c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)O)O P436300 c1ccc(cc1)C(c2ccccc2)(C3CCCCN3)O.Cl P500350 [2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)(C3CCCCN3)O)[2H])[2H].Cl P500352 C1CC(=O)N(C1)CC(=O)N P500800 [2H]C1(C(=O)N(C(C1([2H])[2H])([2H])[2H])C([2H])([2H])C(=O)N)[2H] P500802 [2H]c1c(c(c(c(c1[2H])[2H])/N=N/c2ccc(nc2N)N)[2H])[2H] P313752 c1ccc(cc1)CCC2=NCCC2 P314000 CC1C(OCCN1)c2ccccc2.Cl P314500 [2H]c1c(c(c(c(c1[2H])[2H])C2C(NCCO2)C)[2H])[2H].Cl P314502 CCC1(C(=O)NC(=O)N(C1=O)CCCC(=O)O)c2ccccc2 P316750 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)N(C1=O)CCCC(=O)O)c2ccccc2 P316752 CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 P316760 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccccc2 P316762 CCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccccc3 P316765 CCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3ccccc3 P316770 c1ccc(cc1)CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc5c4cc(cc5)O P316900 CCOC(=O)C1(CCN(CC1)CCC(c2ccccc2)O)c3ccccc3.Cl P317200 [2H]C1(CC(CC(N1CCC(c2ccccc2)O)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H].Cl P317202 c1ccc(cc1)O P318000 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)O P318002 c1ccc(cc1)[n+]2c3cc(ccc3nc4c2cc(cc4)N)N.[Cl-] P318020 [2H]c1c(c(c(c(c1[2H])[2H])[n+]2c3cc(ccc3nc4c2cc(cc4)N)N)[2H])[2H].[Cl-] P318022 c1ccc2c(c1)Nc3ccccc3S2 P318040 c1ccc2c(c1)N(c3ccccc3S2)CCC(=O)O P318050 c1ccc2c(c1)N(c3ccccc3S2)CCC#N P318060 c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)CCCN5c6ccccc6Sc7c5cccc7 P318080 [2H]c1c(c(c(c(c1[2H])[2H])OCC(=O)O)[2H])[2H] P318102 [2H]c1c(c(c(c(c1[2H])[2H])OCC(=O)OCC)[2H])[2H] P318152 [2H]c1c(c(c(c(c1[2H])[2H])OCC(=O)ON2C(=O)CCC2=O)[2H])[2H] P318202 c1ccc(cc1)OCC(=O)Nc2[nH]c3c(c(=O)n2)[nH]cn3 P318250 CC(C)[C@@H](C(=O)O)NC(=O)Oc1ccccc1 P318500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)NC(=O)Oc1ccccc1 P318502 CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4c3c(c(cc4)OC)Oc5ccccc5 P318610 CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc4c3c(c(cc4)OC)Oc5ccccc5 P318620 c1ccc(cc1)Oc2c3ccccc3cnn2 P318775 c1ccc(cc1)C(=O)c2ccc(cc2Oc3ccccc3)[N+](=O)[O-] P318800 c1ccc(cc1)C(=O)c2ccc(cc2O[13c]3[13cH][13cH][13cH][13cH][13cH]3)[N+](=O)[O-] P318802 c1ccc(cc1)Oc2ccc(cc2)CC(=O)O P318810 CC(C)(Cc1ccccc1)N.Cl P318830 [2H]c1c(c(c(c(c1[2H])[2H])CC(C)(C)N)[2H])[2H].Cl P318832 c1ccc(cc1)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CCl)C(=O)OC(c4ccccc4)c5ccccc5 P319100 Cc1c(scn1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cc4ccccc4)SC2)C(=O)OC(c5ccccc5)c6ccccc6 P319120 [2H]c1c(c(c(c(c1[2H])[2H])OC(=O)C)[2H])[2H] P319150 CC(=O)Cc1ccccc1 P319200 [2H]C([2H])([2H])C(=O)C([2H])([2H])c1ccccc1 P319202 c1ccc(cc1)CC(=O)c2ccccc2 P319250 C/C(=C\C(=O)N)/NC(=O)Cc1ccccc1 P319300 c1ccc(cc1)C[C@@H](C(=O)O)N P319415 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)C[C@@H](C(=O)O)N P319417 c1ccc(cc1)[C@H](CC(=O)O)N.Cl P319420 COC(=O)[C@@H](Cc1ccccc1)N.Cl P319425 COC(=O)[C@H](Cc1ccccc1)N.Cl P319426 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)N)[2H])[2H].Cl P319428 CC([C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc2ccccc2)Cc3ccccc3)C P319435 [2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](NC(=O)[C@H](NC(=O)[C@H]2CC[C@@H](CC2)C(C)C)Cc3ccccc3)C(=O)O)[2H])[2H] P319437 c1ccc(cc1)C2CCCCCN2 P319450 c1ccc(cc1)/N=N/c2ccc(c(c2)C(=O)O)O P319460 [2H]c1c(c(c(c(c1[2H])[2H])/N=N/c2ccc(c(c2)C(=O)O)O)[2H])[2H] P319462 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCc2ccc3ccc4cccc5c4c3c2cc5 P319500 c1ccc(cc1)C[C@H](CO)N P319515 [2H]C([2H])([C@@H](Cc1ccccc1)N)O P319517 c1ccc(cc1)C[C@@H](CO)N P319520 c1ccc(cc1)C2CNC2 P319525 c1ccc(cc1)Nc2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N P319530 c1ccc(cc1)Nc2nc3c(c(n2)Cl)ncn3[C@H]4C([C@H]([C@H](O4)CO)O)O P319535 C[C@@H](c1ccccc1)N[C@@H]2CC(N(C([C@@H]2C(=O)OC)(C)C)O)(C)C.[Cl] P319540 C[C@H](c1ccccc1)N[C@H]2CC(N(C([C@@H]2C(=O)OC)(C)C)O)(C)C.[Cl] P319545 [2H]c1c(c(c(c(c1[2H])[2H])/C=C(/C(=O)C(C)C)\C(=O)Nc2ccccc2)[2H])[2H] P319557 c1ccc(cc1)C2OCC3[C@@H](O2)C([C@H]([C@H](O3)Sc4ccccc4)O)O P319560 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Sc2ccccc2)OCc3ccccc3)O)O P319565 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 P319570 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 P319572 c1ccc(cc1)CCCCP(=O)(CC(=O)O)O P319575 CC(=O)/C=C/c1ccccc1 P319580 [2H]c1c(c(c(c(c1[2H])[2H])/C=C/C(=O)C)[2H])[2H] P319582 CCC(C=O)c1ccccc1 P319584 [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccccc5)[2H])[2H] P319587 CCC(c1ccccc1)C(=O)O P319600 [2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)O P319602 [2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)OC P319607 c1ccc(cc1)CCCC(=O)O P319610 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O)[2H])[2H] P319612 [13cH]1[13cH][13cH][13c]([13cH][13cH]1)CCCC(=O)O P319613 Cc1c(c(no1)c2ccccc2)Cc3ccccc3 P319620 c1ccc(cc1)OCCCl P319625 Cc1c(c(no1)c2ccccc2)Cc3ccc(cc3)S(=O)(=O)N P319630 Cc1c(c(no1)c2ccccc2)Cc3ccc(cc3)S(=O)(=O)Cl P319635 c1ccc(cc1)OC(=S)Cl P319650 c1ccc(cc1)[C@@H]2C[C@@H]2N.Cl P319670 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H]2C[C@@H]2N)[2H])[2H].Cl P319672 c1ccc(cc1)OC#N P319675 c1ccc(cc1)[C@@H]2C[C@H]2N.Cl P319680 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H]2C[C@H]2N)[2H])[2H].Cl P319682 c1ccc(cc1)[C@@H]2C[C@@H]2C(=O)O P319685 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H]2C[C@@H]2C(=O)O)[2H])[2H] P319687 c1ccc(cc1)SC[C@@H](C(=O)O)N P319690 c1ccc(cc1)SC[C@@H](C(=O)O)NC(=O)c2cccc(c2)N P319700 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Sc2ccccc2)OCc3ccccc3)OC(=O)C)OC(=O)C P319705 c1ccc(c(c1)OCC#N)OCC#N P319870 c1ccc(c(c1)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O P319900 c1ccc2c(c1)OP(O2)Cl P320000 CNC[C@@H](c1cccc(c1)O)O.Cl P320640 [2H]C([2H])([2H])NC[C@@H](c1cccc(c1)O)O.Cl P320642 CNC[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P320645 CNC[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O P320650 [2H]C([2H])([2H])NCC(c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O P320652 CNC[C@@H](c1cccc(c1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O P320660 CNCC(=O)c1cccc(c1)O.Cl P320670 C[C@H](c1ccccc1)NC(=O)C P320800 C[C@H](c1ccccc1)N[C@@H]2CN3CCC2CC3 P320825 [2H][C@]1(CN2CCC1CC2)N[C@H](C)c3ccccc3 P320827 C[C@H](c1ccc(cc1)CC(C)C)C(=O)N[C@H](C)c2ccccc2 P320885 C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@H](C)c2ccccc2 P320890 C[C@H](c1ccc(cc1)CC(C)C)C(=O)N[C@H](C)c2ccccc2 P320895 C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@H](C)c2ccccc2 P320900 C[C@H](c1ccccc1)NC(=O)n2ccnc2 P320925 C[C@@H](c1ccccc1)NC(=O)n2ccnc2 P320930 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCc4ccccc4 P321250 C[C@@H](c1ccccc1)N2CCc3cc(c(cc3[C@@H]2Cc4ccc(c(c4)OCc5ccccc5)OC)OCc6ccccc6)OC P321270 C[C@H](c1ccccc1)N(Cc2ccccc2)[C@@H](CC(=O)OC)c3ccc(cc3)OCc4ccccc4 P321290 c1ccc(cc1)CCN2CCC(=O)CC2 P321300 c1ccc(cc1)C(CN)O P321320 [2H]c1c(c(c(c(c1[2H])[2H])C(CN)O)[2H])[2H] P321322 c1ccc(cc1)Oc2ccccc2 P321330 CCC1(C(=O)NC(=S)NC1=O)c2ccccc2 P321340 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=S)NC1=O)c2ccccc2 P321342 c1ccc(cc1)C#CS(=O)(=O)N P321575 c1ccc(cc1)C2(c3ccccc3-c4c2cccc4)O P322150 c1ccc(cc1)c2c([n+](on2)[O-])C#N P322500 c1ccc(cc1)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O P324000 c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O P326500 [2H]c1c(c(c(c(c1[2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] P326502 c1ccc(cc1)C2C(O2)C(=O)O P327080 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)C6C(O6)c7ccccc7)C)O[Si](CC)(CC)CC)C)OC(=O)C P327095 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)O)N)[2H])[2H] P327122 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)O)N)[2H])[2H] P327127 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H](C(=O)O)N)[2H])[2H] P327132 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NC(=O)[C@@H](c4ccccc4)N)SC1)C(=O)O P327140 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)NC(=O)[C@@H](c4ccccc4)N)[2H])[2H] P327142 CCOC(=O)/C=C(\C)/NC(c1ccccc1)C(=O)[O-].[K+] P327145 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)[O-])N/C(=C/C(=O)OCC)/C)[2H])[2H].[K+] P327147 CCOC(=O)/C=C(\C)/N[C@H](c1ccccc1)C(=O)[O-].[K+] P327150 [2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)[O-])N/C(=C/C(=O)OCC)/C)[2H])[2H].[K+] P327152 CCOC(=O)C(c1ccccc1)N.Cl P327230 c1ccc(cc1)C(CO)N P327290 c1ccc(cc1)[C@H](CO)N P327295 c1ccc(cc1)[C@@H](CO)N P327300 c1ccc(cc1)C(=O)C(=O)O P327500 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(=O)O)[2H])[2H] P327502 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)Nc4ccccc4)OC(=O)C)OC(=O)C P327580 c1ccc(cc1)CCCCCC(=O)O P327980 c1ccc(cc1)CCCCCCO P328100 c1ccc(cc1)/C=C/CCCC(=O)O P328625 c1ccc(cc1)CCCCCCN.Cl P329051 c1ccc(cc1)CCCCCCCl P329825 c1ccc(cc1)CCCCCCNS(=O)(=O)c2cccc3c2cccc3Cl P330000 c1ccc(cc1)CCCCCCN=C=S P331250 CC#CC(CCc1ccccc1)O P333400 CC#CC(=O)CCc1ccccc1 P333500 c1ccc(cc1)C2C(=O)NC(=O)N2 P335000 c1ccc(cc1)NN P335075 [2H]c1c(c(c(c(c1[2H])[2H])NN)[2H])[2H] P335082 c1ccc(cc1)C(CC#N)O P335140 c1ccc(cc1)C(CCN)O P335175 c1ccc(cc1)c2c[nH]cn2 P335250 c1ccc(cc1)C2CNC(=O)N2 P335260 CC(C)(c1ccccc1)C(=O)O P335300 CC(C)C(=O)CC(=O)Nc1ccccc1 P335325 c1ccc(cc1)[C@H]([C@H](C(=O)O)O)N.Cl P335425 c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)N.Cl P335430 c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)N.Cl P335435 CC(=O)N[C@H](CSc1ccccc1)C(=O)O P335600 [2H]c1c(c(c(c(c1[2H])[2H])SC[C@H](C(=O)O)NC(=O)C)[2H])[2H] P335605 CS(=O)(=O)Sc1ccccc1 P335675 c1ccc(cc1)COCC(=O)NN P335680 c1ccc(cc1)COc2ccc(cc2)CC=O P335690 c1ccc(cc1)C[C@H](C(=O)O)ONC(=O)OCc2ccccc2 P335700 c1ccc(cc1)COC(=O)N[C@@H](CC=O)c2ccccc2 P335710 COC(=O)C[C@@H](c1ccccc1)NC(=O)OCc2ccccc2 P335715 c1ccc(cc1)COC[C@@H]2[C@H](C[C@@H]3[C@H]2O3)OCc4ccccc4 P335720 c1ccc(cc1)COc2ccc(cc2)C(=O)c3ccc(cc3)OC4CCCCO4 P335730 C=CCOCC(COCc1ccccc1)O P335740 c1ccc(cc1)COCC2COCC(O2)CO P335750 c1ccc(cc1)CN[C@H]2CCC[C@H](C2)O P335760 c1ccc(cc1)CN2CCNC2=O P335770 Cn1c2c([nH]c1=O)n(c(=O)[nH]c2=O)Cc3ccccc3 P335775 Cc1nc(on1)[C@H]2[C@H](CC3CCC2N3C)c4ccccc4.Cl P335780 c1ccc(cc1)C2C(=O)NC(=O)O2 P335800 c1ccc(cc1)[C@@H]2COC(=O)N2 P335830 c1ccc(cc1)C(CC2CO2)C#N P335835 c1ccc(cc1)[C@@]23C[C@@H]2COC3=O P335845 c1ccc(cc1)C2(COC2)CO P335850 c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4n2)N)N P335860 CCOC(=O)Nc1ccc2c3ccc(cc3nc(c2c1)c4ccccc4)NC(=O)OCC P335900 c1ccc(cc1)COc2ccc(cc2)NNc3ccccc3 P335950 c1ccc(cc1)CC2(CNC2)c3ccccc3 P335960 [2H]c1c(c(c(c(c1[2H])[2H])NC2CCN(CC2)CCc3ccccc3)[2H])[2H] P335972 c1ccc(cc1)[C@@H]([C@H]2CCCCN2)C(=O)N P335975 c1ccc(cc1)[C@H]([C@H]2CCCCN2)C(=O)N P335976 c1ccc(cc1)[C@H]([C@@H]2CCCCN2)C(=O)N P335980 c1ccc(cc1)[C@@H]([C@H]2CCCCN2)C(=O)N P335981 c1ccc(cc1)[C@H]([C@H]2CCCCN2)C(=O)N P335985 c1ccc(cc1)C(C2CCCCN2)C(=O)N P335990 [2H]C1(C(C(NC(C1([2H])[2H])([2H])C([2H])(c2ccccc2)C(=O)N)([2H])[2H])([2H])[2H])[2H] P335992 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])C([2H])(c2ccccc2)C(=O)N([2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H] P335993 c1ccc(cc1)C(C#N)C2CCCCN2 P335995 c1ccc(cc1)[C@@]2(C[C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)O P336000 c1ccc(cc1)[C@@]2(C[C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)OC(=O)[C@@]5(C[C@@H]5CN6C(=O)c7ccccc7C6=O)c8ccccc8 P336005 CC(C)(c1ccccc1)N2CCCCC2 P336010 c1ccc(cc1)[C@]2(CC[C@@H](CC2)O)N3CCCCC3 P336020 [2H]C1(N(C(CCC1)([2H])[2H])[C@]2(CC[C@H](CC2)O)c3ccccc3)[2H] P336022 c1ccc(cc1)[C@]2(CC[C@H](CC2)O)N3CCCCC3 P336025 [2H]C1(N(C(CCC1)([2H])[2H])[C@]2(CC[C@@H](CC2)O)c3ccccc3)[2H] P336027 CC(C)C(=O)Oc1ccccc1C(CCN2CCCCC2)c3ccccc3 P336030 c1ccc(cc1)N2CCNCC2.Cl P336040 c1ccc(cc1)CCC=O P336050 CCC(=O)Nc1ccccc1 P336060 [2H]C([2H])([2H])CC(=O)Nc1ccccc1 P336062 c1ccc(cc1)C[C@H](CN)N P336075 c1ccc(cc1)C[C@@H](CN)N P336080 [2H]C([2H])(C(c1ccccc1)C([2H])([2H])O)O P336092 C[C@@H]([C@@H](c1ccccc1)O)N P336100 [2H]c1c(c(c(c(c1[2H])[2H])[C@H]([C@H](C)N)O)[2H])[2H] P336102 COc1cccc(c1)NC/C=C/c2ccccc2 P336160 CCOC(=O)C(C)c1ccccc1 P336180 COC(=O)CCc1ccccc1 P336190 CC(C#N)c1ccccc1 P336200 [2H]c1c(c(c(c(c1[2H])[2H])C(C)C#N)[2H])[2H] P336202 c1ccc(cc1)CCC#N P336205 c1ccc(cc1)CCC(=O)NCC(=O)O P336210 CC(CNC)c1ccccc1.Cl P336225 [2H]C([2H])([2H])NCC(C)c1ccccc1.Cl P336227 c1ccc(cc1)CCCNC(=S)SC[C@@H](C(=O)O)N P336250 c1ccc(cc1)C#CCO P336300 c1ccc(cc1)n2cnc3c2cncn3 P336350 c1ccc(cc1)Nc2c3c([nH]cn3)ncn2 P336400 c1ccc(cc1)c2cccnc2 P336500 c1ccc(cc1)c2ccncc2 P336505 c1ccc(cc1)C(c2ccccn2)C(=O)N P336530 [2H]c1c(c(nc(c1[2H])C(c2ccccc2)C(=O)N)[2H])[2H] P336532 c1ccc(cc1)n2ccccc2=O P336560 c1ccc(cc1)C(C#N)c2ccccn2 P336650 [2H]c1c(c(nc(c1[2H])C(C#N)c2ccccc2)[2H])[2H] P336652 CC(c1ccccc1)(c2ccccn2)O P336675 [2H]c1c(c(c(c(c1[2H])[2H])C(C)(c2ccccn2)O)[2H])[2H] P336677 c1ccc(cc1)C(=O)Cc2ccncn2 P336725 c1ccc(cc1)C(C(=O)O)N2CCCC2 P336760 c1ccc(cc1)N2CCCC2=O P336770 c1ccc(cc1)C(CO)N2CCCC2 P336780 c1ccc(cc1)S(=O)(=O)c2ccc(cc2)N P336790 c1ccc(cc1)SCl P336795 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C P336800 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Sc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C P336810 c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2 P336910 c1ccc(cc1)[C@H]2c3ccccc3CCN2 P336930 [2H]c1c(c(c(c(c1[2H])[2H])[C@H]2c3ccccc3CCN2)[2H])[2H] P336932 c1ccc(cc1)C2CNCc3c2cccc3.Cl P336935 CCC(c1ccc(cc1)OC2CCCCO2)C(=O)c3ccccc3 P336940 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)Sc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 P336960 c1ccc(cc1)Sc2ccc(cc2)CO P336975 c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O P336980 c1ccc(cc1)Sc2ccc(cc2)C[n+]3ccn(c3)CC(c4ccc(cc4Cl)Cl)OCc5ccc(cc5)Sc6ccccc6.[Cl-] P336990 c1ccc(cc1)[P+](CSc2ccccc2)(c3ccccc3)c4ccccc4.[Cl-] P337000 c1ccc(cc1)c2ccsc2C(=O)O P337030 COC(=O)c1c(ccs1)c2ccccc2 P337035 c1ccc(cc1)c2ccsc2C=O P337045 c1ccc(cc1)S[C@H]2C[C@H](NC2)C(=O)O.Cl P337055 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@H](NC2)C(=O)O)[2H])[2H].Cl P337057 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O)[2H])[2H] P337062 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC)[2H])[2H] P337067 CC1[C@@H]([C@@H](C([C@@H](O1)Sc2ccccc2)O)O)O P337080 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Sc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C P337365 c1ccc(cc1)N2CNC(=O)C23CCNCC3 P337375 c1ccc(cc1)N2C(=O)N=NC2=O P337380 CCOC(=O)[C@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F P337425 c1ccc(cc1)C2(NN2)C(F)(F)F P337470 c1ccc(cc1)C2(N=N2)C(F)(F)F P337480 c1ccc(cc1)C/C(=N\OCCN)/c2ccc(cc2)C(F)(F)F P337520 c1ccc(cc1)c2nnn(n2)C(c3ccccc3)(c4ccccc4)c5ccccc5 P337900 c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N P338250 CC(=O)c1c(cc(cc1O)O)O P338700 c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O P339000 c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@H](C([C@@H](C(O3)CO)O)O)O)O)O)O P339500 c1c(cc(cc1O)O)O P340000 [13cH]1[13c]([13cH][13c]([13cH][13c]1O)O)O P340002 [2H]c1c(c(c(c(c1O)[2H])O)[2H])O P340003 CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OCCN6CCOCC6 P351500 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OCCN6CCOCC6 P351502 CC(Cc1ccc(cc1)O)NC P352000 [2H]C([2H])([2H])NC(C)Cc1ccc(cc1)O P352002 CCOP(=S)(OCC)SCSCC P353500 CCOC(=O)c1ccc(cc1)P(=O)(O)O P353800 C(C[C@@H](C(=O)[O-])N)CNC(=N)NP(=O)([O-])[O-].[Na+].[Na+].[Na+] P354000 C[N+](C)(C)CCOP(=O)([O-])[O-].[Cl-].[Ca+2] P354500 [2H]C([2H])([2H])[N+](CCOP(=O)([O-])[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-].[Ca+2] P354502 C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O P355000 C([C@H](C(=O)[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+] P358000 C(CC(C(=O)O)N)CP(=O)(O)O.Cl P358500 C(C(=O)C(=O)O)P(=O)(O)O P358700 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O P359000 c1ccc(cc1)COP(=O)(O)OCc2ccccc2 P359400 P(Br)(Br)Br P359500 C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)O P360800 C(COP(=O)(O)O)N P360900 [2H]C([2H])(C([2H])([2H])OP(=O)(O)O)N P360902 CS(=O)(=O)SCc1ccc(cc1)OP(=O)(O)O P361000 C([C@@H](C(=O)N[C@@H](COP(=O)(O)O)C(=O)O)N)OP(=O)(O)O P362000 C[C@@H]([C@H](C(=O)O)N)OP(=O)(O)O P364500 c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O P365000 C12C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl P376500 c1ccc2c(c1)cnnc2NNc3c4ccccc4cnn3 P382550 c1ccc(c(c1)C(=O)O)C(=O)O P384480 c1ccc(c(c1)[13C](=O)O)[13C](=O)O P384481 [2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)O)[2H])[2H] P384482 c1ccc2c(c1)[13C](=O)O[13C]2=O P384487 c1ccc2c(c1)C(=O)N(C2=O)CC=O P384500 CC(=O)CN1C(=O)c2ccccc2C1=O P384530 c1ccc2c(c1)C(=O)N(C2=O)C3CNC3 P384600 c1ccc2c(c1)C(=O)N(C2=O)[C@H](CCC(=O)O)C(=O)N P384630 c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](CNc3ccc(c(c3)F)N4CCOCC4)O P384800 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)N3C(=O)c4ccccc4C3=O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C P385000 c1ccc2c(c1)Cc3ccccc3NC2CN4C(=O)c5ccccc5C4=O P385250 c1ccc2c(c1)Cc3ccccc3N=C2CN4C(=O)c5ccccc5C4=O P385500 c1ccc2c(c1)C(=O)N(C2=O)C[C@H]3CN(C(=O)O3)c4ccc(cc4)N5CCOCC5=O P385850 [2H]c1c(c(c(c(c1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CN4C(=O)c5ccccc5C4=O)[2H] P385852 CC(=O)Oc1cccc(c1)CC(C(=O)OC)N2C(=O)c3ccccc3C2=O P387300 COC(=O)C(Cc1cccc(c1)OCc2ccccc2)N3C(=O)c4ccccc4C3=O P387400 COC(=O)C(Cc1cccc(c1)O)N2C(=O)c3ccccc3C2=O P387500 COc1cc2c(cc(=O)oc2cc1OC)CN3C(=O)c4ccccc4C3=O P389100 CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN3C(=O)c4ccccc4C3=O P389900 CC(C(=O)O)N1C(=O)c2ccccc2C1=O P397500 CCC1=C(/C(=C/C2=N/C(=C\c3c(c(c([nH]3)/C=C\4/C(=C/C)/C(C(=O)N4)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)/NC1=O)C P397650 CO[C@@H]1CCN2[C@H](C1)[C@@]34C[C@H]2C=CC3=CC(=O)O4 P397800 [2H]C([2H])([2H])O[C@@H]1CCN2[C@H](C1)[C@@]34C[C@H]2C=CC3=CC(=O)O4 P397802 Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)OC)C2=O P398000 [2H]C([2H])([2H])Oc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C)C2=O P398002 C[C@@]12CCN([C@@H]1N(c3c2cc(cc3)OC(=O)NC)C)C P398500 [2H]C([2H])([2H])NC(=O)Oc1ccc2c(c1)[C@@]3(CCN([C@@H]3N2C)C)C P398502 [C@@H]1([C@H]([C@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O P398700 CC[NH+](CC)CC.[C@@H]1([C@H]([C@H]([C@H]([C@H]([C@H]1OP(=O)([O-])O)OP(=O)([O-])O)OP(=O)([O-])O)OP(=O)([O-])O)OP(=O)([O-])O)OP(=O)([O-])O P398705 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C P398800 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)C P398805 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C P398810 [2H][13C]([2H])([13CH]([C@@H]([C@@H](CCCC)O)O)N)O P398982 CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O P398990 c1ccnc(c1)C(=O)N P437000 Cc1cccnc1 P437200 [2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])[2H])[2H] P437202 Cc1ccc[n+](c1)[O-] P437215 c1ccnc(c1)C(=O)O P437220 COC(=N)c1ccccn1 P437225 CCOC(=O)c1ccccn1 P437235 Cc1cccc(c1NC(=O)c2ccccn2)C P437240 c1ccc(cc1)NC(=O)c2ccccn2 P437500 c1ccnc(c1)C(c2ccc(cc2)OS(=O)(=O)[O-])c3ccc(cc3)OS(=O)(=O)[O-].[Na+].[Na+] P437550 [2H]c1c(c(nc(c1[2H])C([2H])(c2c(c(c(c(c2[2H])[2H])OS(=O)(=O)[O-])[2H])[2H])c3c(c(c(c(c3[2H])[2H])OS(=O)(=O)[O-])[2H])[2H])[2H])[2H].[Na+].[Na+] P437552 C1CC(=O)N[C@@H]1C(=O)N2CSC[C@@H]2C(=O)O P437650 C1CC(=O)N2[C@@H]1C(=O)N3CSC[C@H]3C2=O P437660 CC[C@H]([C@@H](Cc1cncn1C)CO)C(=O)[O-].[Na+] P441450 [2H]C([2H])([2H])n1cncc1C[C@H]2COC(=O)[C@H]2CC.Cl P441502 CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@H](C4)OC)Cl)/C)O)C)OC)OC)C)\C P445000 C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C=C P445100 CCOC(=O)C1(CCN(CC1)CCCNc2ccccc2)c3ccccc3 P446700 [2H]C1(CC(CC(N1CCCNc2ccccc2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H] P446702 CC1CC(=O)NN=C1c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OC P447500 [2H]C1(CN(CC(C1([2H])n2c3ccccc3[nH]c2=O)([2H])[2H])CCCC(c4ccc(cc4)F)c5ccc(cc5)F)[2H] P447802 c1ccc2c(c1)[nH]c(=O)n2C3CC[N+](CC3)(CCCC(c4ccc(cc4)F)c5ccc(cc5)F)[O-] P447810 [2H]C1(C[N+](CC(C1([2H])n2c3ccccc3[nH]c2=O)([2H])[2H])(CCCC(c4ccc(cc4)F)c5ccc(cc5)F)[O-])[2H] P447812 B1OC(C(O1)(C)C)(C)C P457500 [10BH]1OC(C(O1)(C)C)(C)C P457502 C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)O P458400 B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)N.Cl P458500 B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)N.C(=O)(C(F)(F)F)O P458505 B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)c5cnccn5 P458530 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[C@@]([2H])(C(=O)N[C@H](B2O[C@@H]3C[C@@H]4C[C@H]([C@@]3(O2)C)C4(C)C)CC(C)C)NC(=O)c5cnccn5)[2H])[2H] P458532 B1(O[C@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)[C@@H]4CCCN4.Cl P458600 B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@H]4CCCN4.Cl P458605 CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)Cc4cc(c(cc4Br)OC)OC)C.[Br-] P465000 [2H]C([2H])(C([2H])([2H])OCCC1CCC2CC1C2(C)C)[N+]3(CCOCC3)Cc4cc(c(cc4Br)OC)OC.[Br-] P465002 CC(C)NCC(COc1cccc2c1cc[nH]2)O P468000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cc[nH]2)O P468002 CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3.Cl P471000 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)CC3C(=O)NC(=O)S3 P471002 CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)N=C(S3)N P471005 [2H]C([2H])(c1ccc(c[n+]1[O-])CC)C([2H])([2H])Oc2ccc(cc2)CC3C(=O)NC(=O)S3 P471012 CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)N(C(=O)S3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O P471015 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)CC3C(=O)N(C(=O)S3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O P471017 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)O)SC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P471020 [2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)CC(C(=O)O)SC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P471022 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)N)S(=O)(=O)O P471030 c1cc(ccc1C(=O)CCCN2CCC(CC2)(C(=O)N)N3CCCCC3)F P475200 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)C(=O)N)([2H])[2H])([2H])[2H])[2H] P475202 c1ccc2c(c1)N(c3c(cccn3)S2)C(=O)OCCOCCN4CCCCC4.Cl P475700 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CCOCCOC(=O)N2c3ccccc3Sc4c2nccc4)([2H])[2H])([2H])[2H])[2H].Cl P475702 C1CCN[C@H](C1)C(=O)O P479750 C1CCN[C@H](C1)C(=O)O P479751 C1CCNC(C1)C(=O)O P479760 [2H]C1(C(C(NC(C1([2H])[2H])([2H])C(=O)O)([2H])[2H])([2H])[2H])[2H] P479762 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O P479950 CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O P479970 c1cc2c(ccnc2cc1Cl)N3CCN(CC3)CCCN4CCN(CC4)c5ccnc6c5ccc(c6)Cl P480050 [2H]C([2H])(C([2H])([2H])N1CCN(CC1)c2ccnc3c2ccc(c3)Cl)C([2H])([2H])N4CCN(CC4)c5ccnc6c5ccc(c6)Cl P480052 c1cc2c(ccnc2cc1Cl)N3CCN(CC3)CCCN4CCN(CC4)c5cc[n+](c6c5ccc(c6)Cl)[O-] P480060 [2H]C1(C(NC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H] P480102 [2H]C1(C(NC(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])[2H].C(=O)(C(F)(F)F)O P480103 [13CH2]1[13CH2]N[13CH2][13CH2]N1 P480104 C1CN(CCN1)CCO P480120 C1CNC(=O)CN1 P480140 c1cc(ccc1CN2CCNCC2)C(=O)O P480290 c1cc(ccc1CN2CCNCC2)C#N.Cl P480325 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2F)N4CCN(CC4)C)C(=O)O P480445 CC1COc2c3n1cc(c(=O)c3cc(c2F)N4CCN(CC4)C)C(=O)O P480450 COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 P480500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2nc3cc(c(cc3c(n2)N)OC)OC)([2H])[2H])[2H] P480502 c1ccc2c(c1)c(ns2)N3CCNCC3 P480600 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)c4nc5cc(c(cc5c(n4)N)OC)OC P480620 C1CN/C(=N\NC(=O)C(F)(F)F)/CN1 P481000 c1cc2c(cc[nH]2)c(c1)N3CCNCC3 P481250 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ncccn2)([2H])[2H])[2H] P481302 CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(=O)CN4CCCCC4)n(n1)C P481480 c1cc2c(cc1/C=C/C=C/C(=O)O)OCO2 P481530 C1CCNCC1 P481890 C1CCN(CC1)CCO P481950 [2H]C([2H])(C([2H])([2H])O)N1CCCCC1 P481952 C1CCN[C@@H](C1)CCO P481955 C1CCN[C@H](C1)CCO P481956 C1C[C@@H](CNC1)CO P481970 C1C(=O)CC(=O)[N-]C1=O.[Na+] P481990 c1ccc(cc1)C(c2ccccc2)(C3CCNCC3)O P481995 c1ccc2c(c1)c(no2)C3CCNCC3 P482000 c1ccc(cc1)OC(=O)N2CCC(CC2)c3c4ccccc4on3 P482005 c1c(cc(cc1F)Cl)C(=O)NCC2CCNCC2 P482015 c1cc(ccc1C(=O)O)OCCN2CCCCC2.Cl P482025 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)O)N2CCCCC2.Cl P482027 c1cc(ccc1c2c(c3ccc(c(c3s2)C(=O)c4ccc(cc4)OCCN5CCCCC5)O)C(=O)c6ccc(cc6)OCCN7CCCCC7)O P482150 COc1cc2c(cc1OC)C(=O)C(C2)(CC3CCNCC3)C(C4CCN(CC4)Cc5ccccc5)O P482350 c1cnc(cc1CN2CCCCC2)OC/C=C\CN P482450 c1ccc2c(c1)C(=O)N(C2=O)C/C=C\COc3cc(ccn3)CN4CCCCC4.C(=C\C(=O)O)\C(=O)O P482460 C1CNCCC1(O)O.O.Cl P482725 COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCC=CC2=O P482850 c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2 P483000 c1cc2c(cc1CN)OCO2 P490100 CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2 P490200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOCCOCc1cc2c(cc1CCC)OCO2 P490202 c1cc2c(cc1CN3CCNCC3)OCO2 P490500 CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C P490700 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6 P501500 CC(C)(C)NCC(c1ccc(c(n1)CO)O)O P502500 CN1CCN(CC1)CC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 P508500 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC(=O)N2c3ccccc3C(=O)Nc4c2nccc4)([2H])[2H])[2H] P508502 c1ccc(cc1)Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)N3CCCC3 P508700 [2H]C1(CCC(N1c2cc(cc(c2Oc3ccccc3)S(=O)(=O)N)C(=O)O)([2H])[2H])[2H] P508702 [2H]C1(CCC(N1c2cc(cc(c2Oc3ccccc3)S(=O)(=O)N)C(=O)OC)([2H])[2H])[2H] P508707 c1ccc(cc1)C(CCN2CCC(CC2)(C(=O)N)N3CCCCC3)(C#N)c4ccccc4 P508800 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2(CCN(CC2)CCC(C#N)(c3ccccc3)c4ccccc4)C(=O)N)([2H])[2H])([2H])[2H])[2H] P508802 CC[C@@H]1CCN[C@@H](C1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl.Cl P509300 [2H][C@]1(C([C@](C(C(N1)([2H])[2H])([2H])[2H])([2H])C([2H])([2H])C)([2H])[2H])C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl.Cl P509302 CCn1cc(c(=O)c2c1nc(cn2)N3CCCC3)C(=O)O P509500 [2H]C([2H])([2H])C([2H])([2H])n1cc(c(=O)c2c1nc(cn2)N3CCCC3)C(=O)O P509502 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccccn3 P510000 [2H]C([2H])([2H])N1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ccccn3 P510002 CN1C(=C(c2ccccc2S1(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)Nc4ccccn4 P510010 [2H]C([2H])([2H])N1C(=C(c2ccccc2S1(=O)=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)Nc4ccccn4 P510012 CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC P700950 c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3oc(cc4=O)c5[nH]nnn5 P701100 [2H]c1c(c(c(c(c1[2H])[2H])CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3oc(cc4=O)c5[nH]nnn5)[2H])[2H] P701102 CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 P755280 CCC(=O)O[C@@]1(CCN(C[C@@H]1C)C)c2ccccc2.Cl P755300 [2H]c1c(c(c(c(c1[2H])[2H])[C@]2(CCN(C[C@@H]2C)C)OC(=O)CC)[2H])[2H].Cl P755302 CCC(=O)O[C@@]1(CCN(C[C@H]1C)C)c2ccccc2.Cl P755305 [2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)([2H])[2H])[2H].[Na+] P531007 [2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)/C=C/[C@@H]5C[C@H](CC(=O)O5)O)([2H])[2H])[2H] P531022 COC(=O)c1ccccc1C(=O)c2ccc(cc2)OCCN3CCCCC3 P536500 CC(C)(C)C=O P549200 CC1(COC1=O)C P550000 B(c1ccccc1NC(=O)C(C)(C)C)(O)O P550650 CC(C)(C)C(=O)Nc1c(cccn1)C(=O)c2ccccc2 P550660 CC(C)(C)C(=O)Nc1ccccc1 P550665 CC(C)(C)C(=O)N1CCCC(C1)CN.Cl P550670 CC(C)(C)C(=O)N1CCC(CC1)CN.Cl P550675 CC(C)(C)C(=O)Nc1c(cccn1)C(c2ccccc2)O P550680 CC(C)(C)C(=O)N1CCC(C1)CN.Cl P550685 CC(C)(C)C(=O)Nc1ccccn1 P550690 CC(C)(C)C(=O)Oc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O)O P550725 CC(C)(C)C(=O)Oc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O P550735 CC(C)(C)C(=O)n1ccnc1 P550750 CC(C)(C)C(=O)OCn1c(=O)c2c(cc[nH]2)nc1/N=C/N(C)C P550770 Cc1cc(c(c(c1O)C)C)OC(=O)C(C)(C)C P550800 CC(C)(C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O P551500 CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)OCOC(=O)C(C)(C)C)C.Cl P551800 c1cc(c2c(c1NCCN)C(=O)c3ccncc3C2=O)NCCN P552500 CN1CCC(=C2c3ccccc3CCc4c2ccs4)CC1 P552800 CN(C)CC(=O)Nc1ccc2c(c1)c3ccccc3c(=O)[nH]2.Cl P570500 C[C@@]1(CO[C@@H](C([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H](C(C2O)O[C@@H]3C(CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O P579500 Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F P580350 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])OCCCc2cc(no2)C)C([2H])([2H])[2H])[2H])c3nc(on3)C(F)(F)F P580352 c1cc(ccc1CN2CCCNCCNCCCNCC2)CN3CCCNCCNCCCNCC3 P580500 [2H]c1c(c(c(c(c1CN2CCCNCCNCCCNCC2)[2H])[2H])CN3CCCNCCNCCCNCC3)[2H] P580502 c1cc(ccc1CN2CCCN(CCN(CCCN(CC2)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)CN3CCCN(CCN(CCCN(CC3)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F P580515 [2H]c1c(c(c(c(c1CN2CCCN(CCN(CCCN(CC2)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)[2H])[2H])CN3CCCN(CCN(CCCN(CC3)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)[2H] P580517 C[C@@H]1CCC23CCC(=O)[C@H]2C1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CO)C P610500 Cc1cc2c(cc1CN(CC#C)c3ccc(c(c3)F)C(=O)N[C@@H](CCc4[nH]nnn4)C(=O)O)c(=O)nc([nH]2)C P625000 CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F P635000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F P635002 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)NCCOCC(=O)O P653400 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N(CCO)CC(=O)O P653405 CCCOC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C P680500 COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 P681000 c1c([nH]cn1)C[C@@H](C(=O)[O-])[N-]C(=O)CC[NH-].[Zn+3] P688000 Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C P688250 CC[C@H](C)CCCCC(=O)NC(CCN)C(=O)NC([C@@H](C)O)C(=O)NC(CCN)C(=O)N[C@H]1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)[C@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O P689400 CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F P689410 [2H]C([2H])([2H])N1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F P689412 [2H]C([2H])([2H])n1c(=O)[nH]c(=O)n(c1=O)c2ccc(c(c2)C)Oc3ccc(cc3)S(=O)(=O)C(F)(F)F P689427 CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C)N P689450 [2H]C([2H])([2H])N1[C@@H]2[C@H]1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC P689452 c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O P689500 [13cH]1c(c([13c]([nH]1)[13CH2]N)CC(=O)O)CCC(=O)O P689502 CC[C@@H]([C@H](C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F P689600 [2H]c1c(c(c(c(c1n2cnn(c2=O)[C@@H](CC)[C@H](C)O)[2H])[2H])N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F)[2H] P689602 c1cc(ccc1N)OS(=O)(=O)[O-].[K+] P695000 c1ccnc(c1)C(=O)O[V-2]23(=O)(OO2)OO3 P695035 c1ccc2c(c1)c(ccc2OS(=O)(=O)[O-])OCC3CO3.[K+] P695070 c1ccc2c(c1)c(ccc2OS(=O)(=O)[O-])O.[K+] P695100 c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)[O-].[K+] P695250 CCOC(=S)[S-].[K+] P697100 C(#[15N])[Fe](C#[15N])(C#[15N])(C#[15N])(C#[15N])C#[15N] P697302 C(=C/C=O)\C=C\[O-].[K+] P698000 CC(=O)[S-].[K+] P698500 C.CCC(C)N1CCCC1=O P698900 CCCCc1nc2cc(ccc2n1CCN(CC)CC)/C=C/C(=O)NO P699100 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1nc2cc(ccc2n1CCN(CC)CC)/C=C/C(=O)NO P699102 CC(C)NCC(COc1ccc(cc1)NC(=O)C)O P699200 [2H]C([2H])([2H])C(=O)Nc1ccc(cc1)OCC(CNC(C)C)O P699202 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(COc1ccc(cc1)NC(=O)C)O P699203 c1c2c(c(c(c1F)N3C[C@@H]4CCCN[C@@H]4C3)C#N)n(cc(c2=O)C(=O)O)C5CC5.Cl P699400 C#CCC(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O P700500 CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C P700600 CCCN[C@@H]1CCc2c(sc(n2)N)C1 P700745 [2H]C([2H])([2H])CCN[C@@H]1CCc2c(sc(n2)N)C1 P700747 CCCN[C@H]1CCc2c(sc(n2)N)C1 P700750 CCCN[C@H]1CCc2c(sc(n2)N)C1 P700755 [2H]C([2H])([2H])CCN[C@H]1CCc2c(sc(n2)N)C1 P700757 Cc1n-2c(c[n+]1[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)CN=C(c4c2ccc(c4)Cl)c5ccccc5F P700765 CC(C)NC1CCC(CC1)(c2ccccc2)c3ccccc3.Cl P700780 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC1CCC(CC1)(c2ccccc2)c3ccccc3.Cl P700782 C[n+]1ccccc1/C=N/O.[Cl-] P701120 CC(c1ccc2c(c1)Cc3cccnc3O2)C(=O)O P701140 CC(=O)Oc1cc2c(s1)CCN(C2)C(c3ccccc3F)C(=O)C4CC4.Cl P701150 [2H]C1(C(C1([2H])C(=O)C(c2ccccc2F)N3CCc4c(cc(s4)OC(=O)C)C3)([2H])[2H])[2H] P701152 [2H]C1(C(C1([2H])C(=O)C(c2ccccc2F)N3CCC4C(=CC(=O)S4)C3)([2H])[2H])[2H] P701167 c1ccc(c(c1)C(C(=O)C2CC2)N3CCC4=C(C3)CC(=O)S4)F P701170 Cc1c(c2ccccc2n1CCN3CCOCC3)C(=O)c4ccc(cc4)OC P701180 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O P701190 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O P701192 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C P701195 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] P702000 [2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] P702002 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O P702003 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)O P702010 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O.CC(C)(C)CC(C)(C)N P702025 c1ccc2c(c1)CCN3C2CNCC3=O P702080 c1ccc2c(c1)CCN3C2CN(CC3=O)C(=O)C4CCCCC4 P702095 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(=O)N2CC3c4ccccc4CCN3C(=O)C2)([2H])[2H])([2H])[2H])[2H] P702097 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4=C[C@@H]5CC[C@H]4C=C5 P702150 [2H]C1(C(N(C(C(N1c2nc3cc(c(cc3c(n2)N)OC)OC)([2H])[2H])([2H])[2H])C(=O)C4=C[C@@H]5CC[C@H]4C=C5)([2H])[2H])[2H] P702152 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4.Cl P702325 [2H]C1(C(N(C(C(N1c2nc3cc(c(cc3c(n2)N)OC)OC)([2H])[2H])([2H])[2H])C(=O)c4ccco4)([2H])[2H])[2H] P702327 CC1(C=Cc2cc(c(cc2O1)OC)OC)C P703350 CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC P703700 [2H]C([2H])([2H])CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC P703702 [2H][C@]12C(CCC3=CC(=O)C=C[C@@]31C)[C@@H]4CC[C@@]([C@]4(C(C2([2H])O)([2H])[2H])C)(C(=O)CO)O P703740 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C)O P703745 [2H]C1=C[C@]2(C(=C(C1=O)[2H])C(C[C@@H]3[C@@]2([C@@](C([C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)([2H])[2H])([2H])O)[2H])([2H])[2H])C P703747 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O P703750 [2H]C1=C[C@]2(C(=C(C1=O)[2H])C(C[C@@H]3[C@@]2([C@@](C([C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)C)O)C)([2H])[2H])([2H])O)[2H])([2H])[2H])C P703752 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COS(=O)(=O)[O-])O)CCC4=CC(=O)C=C[C@]34C)O.[Na+] P703755 [2H]C1=C[C@]2(C(=C(C1=O)[2H])C(C[C@@H]3[C@@]2([C@@](C([C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)[O-])O)C)([2H])[2H])([2H])O)[2H])([2H])[2H])C.[Na+] P703757 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C P703780 [2H]C1(C(=O)[C@H]2[C@@H](CCC3=C(C(=O)C(=C[C@]23C)C)C)[C@H]4[C@]1([C@](CC4)(C(=O)C([2H])([2H])O)O)C)[2H] P703782 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C=O)O)CCC4=CC(=O)C=C[C@]34C P703800 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O P703825 [2H]C([2H])([2H])C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O P703827 CC(C)C[C@H](CC(=O)O)CN P704785 CC(C)C[C@@H](CC(=O)O)CN P704790 CC(C)CC(CC(=O)O)CN P704800 CC(C)CC([13CH2][13C](=O)O)[13CH2]N P704803 CCN(CC)C(=O)CC(CC(C)C)CN.C(C(C(=O)O)O)(C(=O)O)O P704805 CC(C)C[C@@H](CC(=O)OC)CN.Cl P704810 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C P704930 CC(=O)[C@@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C P704950 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O P705125 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O P705130 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)C([2H])(C([2H])([2H])[2H])O P705132 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O P705140 [2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)C([2H])(C([2H])([2H])[2H])O P705142 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O P705160 [2H]C([2H])([2H])C([2H])([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O P705162 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O)O P705170 [2H]C([2H])([2H])C([2H])([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O)O P705172 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C P711300 CC(=O)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4([C@@H]3CC[C@]12C)C P711600 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O P712075 C[C@H]([C@]1(CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)O)OS(=O)(=O)O P712100 C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C P712180 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C P712200 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C P712205 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C P712210 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O P712215 C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(CC[C@]34C)O)C)O)O P712300 C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O P712320 [2H][C@]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)(C([2H])([2H])[2H])O P712322 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O P712325 [2H][C@@]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)(C([2H])([2H])[2H])O P712327 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C)O)O P712335 [2H][C@@]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C)O)(C([2H])([2H])[2H])O P712337 CC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C P712550 COCCOc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6 P712600 [2H]C([2H])([2H])OCCOc1ccc(cc1)N2CCN(CC2)CCn3c4c(cn3)c5nc(nn5c(n4)N)c6ccco6 P712602 CC(C)NC[C@@H](COc1ccc(cc1)O)O P712700 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CCC(=O)C4 P712760 CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3 P712800 CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)O)O)C P712900 CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl P713200 CC1=C(C[C@@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C P713500 CC1=C(C[C@H](CC1)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C P713510 CS(=O)(=O)O.c1ccc(cc1)C(CCN2CCCCC2)(c3ccccc3)O P715000 CC[N+]1(CCC(=C(c2ccccc2)c3ccccc3)C1C)CC.[Br-] P717500 [2H]C([2H])([2H])C([2H])([2H])[N+]1(CCC(=C(c2ccccc2)c3ccccc3)C1C)CC.[Br-] P717502 CCCNC(C)C(=O)Nc1ccccc1C.Cl P725000 C[C@@H]([C@@H](c1cnc-2c(=O)nc(nc2[nH]1)N)O)O P733000 CC(CCCN)Nc1cc(cc2c1nccc2)OC P733500 [2H]c1c(c2c(c(c(c(c2nc1[2H])NC(C)CCCN)[2H])OC)[2H])[2H] P733502 CCC1(C(=O)NCNC1=O)c2ccccc2 P734000 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NCNC1=O)c2ccccc2 P734002 CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(C(C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccc(cc6)N(C)C)C P745000 [2H]c1c(c(c(nc1[2H])C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)CCN3C(=O)C(N(C(=O)[C@@H]4CCCN4C(=O)[C@H](NC2=O)CC)C)Cc5ccc(cc5)N(C)C)c6ccccc6)C)O)[2H] P745002 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N P754500 [2H]C([2H])([2H])OP(=S)(Oc1ccc(cc1)S(=O)(=O)N)OC([2H])([2H])[2H] P754502 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O P755000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])S(=O)(=O)c1ccc(cc1)C(=O)O P755002 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O P755010 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O[C@H]2C([C@H]([C@@H](C(O2)C(=O)OCc3ccccc3)O)O)O P755020 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C P755100 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3([C@H](C[C@@H](C5)O)O)C)n6n4c(=O)n(c6=O)c7ccccc7)C P755250 [2H]c1c(c(c(c(c1[2H])[2H])[C@]2(CCN(C[C@H]2C)C)OC(=O)CC)[2H])[2H].Cl P755307 c1cc(ccc1/C(=N\CCCC(=O)N)/c2cc(ccc2O)F)Cl P755350 [2H]C([2H])(CC[13C](=O)[15NH2])/N=C(\c1ccc(cc1)Cl)/c2cc(ccc2O)F P755352 [2H]C([2H])([2H])N1CCC(CC1)(c2ccccc2)C(=O)OC(C)C.Cl P769502 CCC(=O)OC1(CCCN(CC1C)C)c2ccccc2.Cl P769700 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCCN(CC2C)C)OC(=O)CC)[2H])[2H].Cl P769702 CCCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl P770100 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl P770102 CCCC1COC(O1)(Cn2cncn2)[14c]3[14cH][14cH][14c]([14cH][14c]3Cl)Cl P770103 CCCC1COC(O1)(Cn2cnnc2)c3ccc(cc3Cl)Cl P770120 CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N P770500 CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)NC(=O)OCC)NC(=O)OCC.CS(=O)(=O)O[O-].[O-]OS(=O)=O P770550 CCCOc1ccc(cc1)C(=O)CCN2CCCCC2.Cl P772500 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CCC(=O)c2ccc(cc2)OCCC)([2H])[2H])([2H])[2H])[2H].Cl P772502 C1COC1=O P775000 C#CC(=O)N P780000 [13CH]#[13C][13C](=O)N P780002 CCC(=O)Nc1ccc(cc1)O P783500 C#CC(=O)[O-].[Na+] P786330 [13CH]#[13C][13C](=O)[O-].[Na+] P786332 CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] P786400 CCC(=O)Nc1c2c(ncn1)n(cn2)[C@H]3C(C[C@H](O3)CO)O P786600 [2H]C([2H])([2H])C([2H])([2H])C(=O)Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O P786602 CCC(=O)N[C@@H](CS)C(=O)O P786800 CCC(=O)NCC(=O)O P788500 CCC(=O)Nc1ccc(c(c1)C(=O)O)O P789500 [2H]C([2H])([2H])C([2H])([2H])C(=O)Nc1ccc(c(c1)C(=O)O)O P789502 [2H]c1c(c(c(c(c1NC(=O)CC)[2H])C(=O)O)O)[2H] P789503 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1SCCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C P795000 CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3=C2CCC4=CC(=O)C=C[C@@]43C)O)C)C)O P811000 CCC(=O)N1c2ccccc2Sc3c1cccc3 P811230 CCC(=O)c1ccc2c(c1)Nc3ccccc3S2 P811250 CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)C(=O)OCCCN(C)C P811265 CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C.Cl P827500 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)C(=O)CC)C([2H])([2H])[2H].Cl P827502 CCC(=O)C1=NCCC1 P827800 [13CH3][13CH2][13C](=O)C1=NCCC1 P827802 CCC(=O)C1=NCCCC1 P827850 CC(C)NC(=O)c1ccc(cc1)CNNC.Cl P755400 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P755800 [2H]C([2H])([2H])N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P755802 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl P755805 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cc(cc4)Cl)([2H])[2H])[2H] P755807 CN1CCN(CC1)CCCN2c3ccccc3S(=O)c4c2cc(cc4)Cl P755810 [2H]C([2H])([2H])N1CCN(CC1)CCCN2c3ccccc3S(=O)c4c2cc(cc4)Cl P755812 c1ccc(cc1)C(CCN2CCCC2)(C3CCCCC3)O.Cl P755840 [2H]C1(C(C(N(C1([2H])[2H])CCC(c2ccccc2)(C3CCCCC3)O)([2H])[2H])([2H])[2H])[2H].Cl P755842 CC12CC1(C(=O)N(C2=O)c3cc(cc(c3)Cl)Cl)C P755855 [2H]C([2H])([2H])C12CC1(C(=O)N(C2=O)c3cc(cc(c3)Cl)Cl)C([2H])([2H])[2H] P755857 CCC(=O)c1ccc2cc(ccc2c1)N(C)C P755865 [2H]C([2H])([2H])N(c1ccc2cc(ccc2c1)C(=O)CC)C([2H])([2H])[2H] P755867 CCCSP(=O)(OCC)Oc1ccc(cc1Cl)Br P755880 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SP(=O)(OCC)Oc1ccc(cc1Cl)Br P755882 C/C=C/C1C(C1(C)C)C(=O)OCc2c(c(c(c(c2F)F)C)F)F P755890 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C P755900 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])[2H])C)C P755902 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C P755910 CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CC1)CCOC(=O)Cc2c(n(c3c2cc(cc3)OC)C(=O)c4ccc(cc4)Cl)C)NC(=O)c5ccccc5.C(=O)(C(=O)O)O P755940 [2H]C([2H])(C([2H])([2H])OC(=O)Cc1c(n(c2c1cc(cc2)OC)C(=O)c3ccc(cc3)Cl)C)N4CCN(CC4)CCCOC(=O)CCC(C(=O)N(CCC)CCC)NC(=O)c5ccccc5.C(=O)(C(=O)O)O P755942 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1 P755955 C1CC(NC1)C(=O)N P755965 C1C[C@H](NC1)C(=O)N P755975 COC(=O)[C@@H]1CCCN1.Cl P755980 C1C[C@@H](NC1)C(=O)O P755990 [13CH2]1[13CH2][13C@@H]([15NH][13CH2]1)[13C](=O)O P755992 C1C[C@H](NC1)CO P756000 C1CC(NC1)CO P756010 CCCC(Cc1ccccc1)N2CCCC2 P756100 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)Cc2ccccc2)([2H])[2H])([2H])[2H])[2H] P756102 CN(C)CCCN1c2ccccc2Sc3c1cccc3.Cl P756300 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cccc3)C([2H])([2H])[2H].Cl P756302 CCCOc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4OC)C P756700 [2H]C([2H])([2H])CCOc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4OC)C P756702 CC(CN1c2ccccc2Sc3c1cccc3)N(C)C.Cl P757000 [2H]C([2H])([2H])N(C(C)CN1c2ccccc2Sc3c1cccc3)C([2H])([2H])[2H].Cl P757002 CC(CN1c2ccccc2Sc3c1cccc3)[N+](C)(C)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O P757005 CC(CN1c2ccccc2S(=O)c3c1cccc3)N(C)C P757010 [2H]C([2H])([2H])N(C(C)CN1c2ccccc2S(=O)c3c1cccc3)C([2H])([2H])[2H] P757012 CC(CN1c2ccccc2Sc3c1cccc3)[N+](C)(C)[O-] P757020 CC(C)NCC(c1ccc2ccccc2c1)O P757170 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(c1ccc2ccccc2c1)O P757172 CCCNC[C@H](COc1ccccc1C(=O)CCc2ccccc2)O P757495 CCCNC[C@@H](COc1ccccc1C(=O)CCc2ccccc2)O P757496 CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O.Cl P757500 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)NCCC.Cl P757502 CCCNCC(COc1ccccc1C(=O)CCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P757510 [2H]C([2H])([2H])C([2H])([2H])CNCC(COc1ccccc1C(=O)CCc2ccccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O P757512 CCCN(CC(COc1ccccc1C(=O)CCc2ccccc2)O)CC(COc3ccccc3C(=O)CCc4ccccc4)O P757520 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)N(CCC)C([2H])([2H])C([2H])(C([2H])([2H])Oc3ccccc3C(=O)CCc4ccccc4)O P757522 c1cc(ccc1C(=N)N)OCCCOc2ccc(cc2)C(=N)O.C(CS(=O)(=O)O)O P758300 CCCOC(=O)NCCCN(C)C P758460 [2H]C([2H])([2H])N(CCCNC(=O)OCCC)C([2H])([2H])[2H] P758462 CCC(=O)NC1CCc2ccc(cc2C1=O)OC P758500 CC(C)[C@@H](C(=O)OC(C)(C)C)NCCC(=O)N P759150 [2H]C([2H])(C([2H])([2H])O)C([2H])([2H])O P760322 CS(=O)(=O)SCCCSS(=O)(=O)C P760350 C1COS(=O)(=O)C1 P760800 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3c1cccc3)C(C)C.[Br-] P760900 [2H]C([2H])([2H])[N+](CCOC(=O)C1c2ccccc2Oc3c1cccc3)(C(C)C)C(C)C.[I-] P760902 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC.Cl P761800 C#CCN.Cl P762525 C#CCO[C@@H]1C([C@H]([C@H](C(O1)CO)O)O)O P764500 CS(=O)(=O)OCC#C P766000 CS(=O)(=O)SCC#C P767300 C#CCN1c2ccccc2Sc3c1cccc3 P767370 CCCn1cnc2c1c(=O)n(c(=O)n2C)CCCCC(=O)C P768700 [2H]C([2H])(CC(=O)C)C([2H])([2H])C([2H])([2H])n1c(=O)c2c(ncn2CCC)n(c1=O)C P768702 CS(=O)(=O)c1ccc2c(c1)N(c3ccccc3S2)CC=C P768950 [2H]C(=C([2H])C([2H])([2H])N1c2ccccc2Sc3c1cc(cc3)S(=O)(=O)C)[2H] P768952 CCCC(CC=C)(C(=O)OCC)C(=O)OCC P769000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CC=C)(C(=O)OCC)C(=O)OCC P769002 CC(C)OC(=O)C1(CCN(CC1)C)c2ccccc2.Cl P769500 [13CH3][13CH2][13C](=O)C1=NCCCC1 P827852 CCCOC(c1ccccc1)(c2ccccc2)C(=O)OC3CCN(CC3)C.Cl P828000 CCCOC(c1ccccc1)(c2ccccc2)C(=O)OC3CC[N+](CC3)(C)[O-].Cl P828030 CC(C)c1cccc(c1O)C(C)C P829750 [2H]c1c(c(c(c(c1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H] P829752 CC(C)c1cc(cc(c1O)C(C)C)C(=O)O P829760 CC(C)c1cccc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C P829780 [2H]c1c(c(c(c(c1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H] P829782 CC(C)c1cccc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)C(C)C P829810 [2H]c1c(c(c(c(c1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H] P829812 CC(C)c1cccc(c1OC(C)C)C(C)C P829820 CC(C)Oc1ccccc1OC(=O)NC P830800 CCCOc1ccccc1C(=O)N P831250 CCCOc1ccccc1C(=O)O P831280 CCC(=O)O[C@](Cc1ccccc1)(c2ccccc2)[C@H](C)CN(C)C.Cl P831500 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(c2ccccc2)(C(C)CN(C)C)OC(=O)CC)[2H])[2H].Cl P831502 CC(C)NCC(COc1cccc2c1cccc2)O.Cl P831790 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COc1cccc2c1cccc2)O.Cl P831792 CC(C)NC[C@@H](COc1cccc2c1cccc2)O.Cl P831795 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@@H](COc1cccc2c1cccc2)O.Cl P831797 CC(C)NCC(COc1cccc2c1cccc2)O.Cl P831800 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cccc2)O P831802 CC(C)NCC(COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831810 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831812 CC(C)NC[C@H](COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831815 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831817 CC(C)NC[C@@H](COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831820 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@@H](COc1cccc2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] P831822 CCCc1ccc(cc1)C(=O)C P832250 CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C P832500 CCCNc1c2cc[nH]c2ncn1 P833250 CCCNC(C)C(=O)c1ccccc1.Cl P834000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccccc1.Cl P834002 CCCNC(C)C(=O)Nc1ccccc1C.Cl P834500 CCCNC(=N)NCCC[C@@H](C(=O)O)N P835000 CCCOS(=O)(=O)c1ccccc1 P835050 CCC[C@H]1CC[C@@H](CC1)[C@H]2CC[C@@H](CC2)C(=O)O P835075 CCCN\1C(CC/C1=N\C#N)CC(=O)O P835150 CCCN(CCO)CCO P835200 CCCC(CCC(=O)O)C(=O)O P835300 CCCN(CCC)CCc1cccc2c1/C(=C/CC)/C(=O)N2.Cl P835500 CCCOc1ccccc1C(=N)N.Cl P835750 CCCCCC(CCC)C=O P835815 CCCCCC(CCC)CO P835820 c1ccc2c(c1)N(c3ccccc3S2)CCCN4C(=O)C=CC4=O P835950 CCCNc1nc2c(s1)C[C@H](CC2)NCCC P836000 [2H]C([2H])(CC)Nc1nc2c(s1)C[C@H](CC2)NC([2H])([2H])CC P836002 C[C@@H]1COC(=O)O1 P836750 [2H]C1(C(OC(=O)O1)([2H])C([2H])([2H])[2H])[2H] P836752 CC1CN1 P836900 CCCCC(CCC)C(=O)O P837100 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCC)C(=O)O P837102 CC(CC1CCCCC1)NC.Cl P837150 [2H]C([2H])([2H])NC(C)CC1CCCCC1.Cl P837152 CC/C=C\1/C[C@H](N(C1)C)C(=O)O P837200 [2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)O)CCC P837202 CCC[C@@H]1C[C@H](NC1)C(=O)OC P837300 CCCn1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl P837500 CCCSS(=O)(=O)C P838250 [2H]C([2H])([2H])N(C#C)C(C)Cc1cccnc1 P838262 CC(Cc1cccnc1)N(C)CCC#C P838270 CCCc1[nH]c2cc(cc(c2n1)C)c3nc4ccccc4n3C P838280 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)[nH]c(n4)CCC)C P838282 CCCOC(=O)c1ccc(cc1)O P838285 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)c1ccc(cc1)O P838287 CCC/C(=C\C=C)/C(=O)O P838290 CCC/C(=C\CC)/C(=O)O P838300 CCCC(CC=C)C(=O)O P838305 CCC/C(=C\CC)/C(=O)OCC P838308 CCCc1cc(=O)[nH]c(=S)[nH]1 P838310 [2H]C([2H])([2H])C([2H])([2H])Cc1cc(=O)[nH]c(=S)[nH]1 P838312 CCCc1cc(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O P838315 [2H]C([2H])(C)Cc1cc(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O P838317 CCCc1cc(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O P838320 CCCC(CCC)C=O P838325 CCCc1cc(=O)[nH]c(=S)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C P838330 CC(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] P838335 CCC/C(=C\C=C)/C(=O)OCC P838340 C#CC[C@H]1CC[C@@H](CC1)CO P838365 COC(=O)[C@H]1CC[C@@H](CC1)CC#C P838370 Cc1c(c(=O)n(n1C)c2ccccc2)C(C)C P838380 CC(C)(C#C)NC(=O)c1cc(cc(c1)Cl)Cl P838400 C1C[N+]2(CCN1CC(CCl)O)CC[N+]3(CCN(CC3)CC(CCl)O)CC2 P838500 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O P838600 [2H]C([2H])(CCC[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O)C([2H])([2H])CC(=O)O P838602 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O P838610 [2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](CCCCC)O P838612 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O)O)O P838620 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O)O)O P838622 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O P838625 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4CCCCO4)CC[C@@H]5[C@@]3(Cc6cn[nH]c6C5)C P838700 C[C@@H]1C[C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C P838800 CCCSP(=S)(OCC)O[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)Cl P838842 CN(C)CCCN1c2ccccc2Sc3c1nccc3.Cl P838850 [2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1nccc3)C([2H])([2H])[2H].Cl P838852 CN(C)CCCN1c2ccccc2S(=O)c3c1nccc3 P838860 CN1CCc2cc3c(cc2C(=O)Cc4ccc5c(c4C1)OCO5)OCO3 P838870 Cc1c(oc(=O)o1)CN2CCN(CC2)c3cc4c(cc3F)c(=O)c(c5n4C(S5)C)C(=O)O P838885 [2H]C1(C(N(C(C(N1Cc2c(oc(=O)o2)C)([2H])[2H])([2H])[2H])c3cc4c(cc3F)c(=O)c(c5n4C(S5)C)C(=O)O)([2H])[2H])[2H] P838887 COCCCN1CCC(CC1)NC(=O)c2cc(c(c3c2OCC3)N)Cl.C(CC(=O)O)C(=O)O P838950 c1ccc(cc1)C(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O P839000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C#N)c2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C P839025 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O)O.[Na+] P839060 CCCc1cc(ccn1)C(=S)N P839100 [2H]C([2H])([2H])C([2H])([2H])Cc1cc(ccn1)C(=S)N P839102 CCCc1cc(ccn1)C(=S=O)N P839120 [2H]C([2H])([2H])C([2H])([2H])Cc1cc(ccn1)C(=S=O)N P839122 CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(c(c6)c7cc8c9c(c7O)O[C@@H]1[C@]92CCN([C@H](C8)[C@]22CC[C@]1([C@H](C2)C(C)(C(C)(C)C)O)OC)CC1CC1)O)O4)CC1CC1)OC)O P839160 CN1CC[C@]23c4c5ccc(c4O[C@H]2C=C[C@@H]([C@H]3[C@@H]1C5)O)OC.Cl P839200 C[C@@H]([C@H](c1ccccc1)O)NC.Cl P839350 [2H]C([2H])([2H])[C@@H]([C@H](c1ccccc1)O)NC([2H])([2H])[2H].Cl P839352 [2H]C([2H])([2H])N[C@@H](C)[C@H](c1ccccc1)O P839353 C[C@H]1[C@@H](OC(=O)N1C)c2ccccc2 P839400 [2H]C([2H])([2H])N1[C@H]([C@@H](OC1=O)c2ccccc2)C P839402 CC[C@@H]([C@](C)([C@H]1[C@H](C2=C(CC(O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)O P839500 C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCC/C=C/CCC(=O)[O-])/C)[C@H](C)O.[Na+] P839520 CN1CC[C@]23c4c5cc(c(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O)c6cc7c8c(c6O)O[C@@H]9[C@]81CCN([C@H](C7)[C@@H]1C=C[C@@H]9O)C P839540 C[C@H]([C@@H](c1ccccc1)O)N P839585 CN1[C@@H]2CCC[C@H]1CC(=O)C2 P839600 c1c(c(=O)[nH]c(=O)[nH]1)[C@H]2C([C@H]([C@H](O2)CO)O)O P839605 c1c(c(=O)[nH]c(=O)[nH]1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O P839610 CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCCCC4)C P839615 C1[C@@H]([C@@H](C([C@](O1)(CO)O)O)O)O P839625 CN(C)CCc1c[nH]c2c1c(ccc2)O P839630 [2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(C)C P839632 CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O P839650 [2H]c1c(c(c(nc1[2H])C(=O)O)C(=O)O)[2H] P991633 [2H]c1c(c([n+](c(c1[2H])[2H])[O-])[2H])[2H] P991637 c1cc(ncc1C(=O)O)C(=O)O P991640 [2H]c1c(c(nc(c1C(=O)O)[2H])C(=O)O)[2H] P991642 [2H]C([2H])(c1c[nH]c2c1c(ccc2)OP(=O)(O)O)C([2H])([2H])N(C)C P839652 c1ccc(cc1)CCCCOc2c3ccc(=O)oc3cc4c2cco4 P839700 c1cc(=O)oc2c1cc3ccoc3c2 P839800 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2c[nH]c-3nc(nc(=O)c3n2)N)Cc4cnc5c(n4)c(=O)nc([nH]5)N P839900 c1c(nc2c(nc(nc2n1)N)N)CO P840095 c1c(nc2c(nc(nc2n1)N)N)CO.Br P840100 Cc1cc2c(c(c1CCO)C)C(=O)C(C2)C P840105 c1cc(ccc1C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N P840110 CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3ccc4c(c3I)OCO4 P840120 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCCn1c2c(c(ncn2)N)nc1Sc3ccc4c(c3I)OCO4 P840122 C[C@@H]1CCC(=C(C)C)C(=O)C1 P840140 C[C@@H]1CCC2(C(=O)C1)C(O2)(C)C P840150 c1ccc2cc(ccc2c1)Oc3nc(c4c(n3)n(cn4)C5CCCCC5)Nc6ccc(cc6)N7CCOCC7 P840300 CC1=NNC(=O)N(C1)/N=C/c2cccnc2 P840350 COC(=O)N(c1ccccc1COc2ccn(n2)c3ccc(cc3)Cl)OC P840400 C1C=C(OC(=C1)C(=O)O)C(=O)O P840500 C[C@H]([C@@H]1[C@H](C[C@H]2CO[C@H]([C@@H]([C@@H]2O1)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)[C@H](C)O.[Na+] P840550 CN1CCCN=C1/C=C/c2cccs2.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O P840575 CN1CCCN=C1/C=C\c2cccs2.c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)O)O)C(=O)O P840580 c1cnc(cn1)C(=O)N P840600 [2H]c1c(nc(c(n1)[2H])C(=O)[15NH2])[2H] P840602 c1cnc(cn1)C(=O)O P840750 [2H]c1c(nc(c(n1)[2H])C(=O)O)[2H] P840752 c1c[n+](cc(n1)C(=O)O)[O-] P840800 c1c(ncc(n1)CCO)CCO P840815 c1c[n+](cc[n+]1[O-])[O-] P840830 [2H]c1c([n+](c(c([n+]1[O-])[2H])[2H])[O-])[2H] P840832 CCOC(=O)c1cnccn1 P841000 [2H]c1c(nc(c(n1)[2H])C(=O)OCC)[2H] P841002 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2cnccn2 P841500 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[C@@]([2H])(C(=O)O)NC(=O)c2cnccn2)[2H])[2H] P841502 COC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2 P841510 C([C@@H]1C([C@@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)O P841750 B1(OC(C(O1)(C)C)(C)C)c2c[nH]nc2 P842200 c1cnn(c1)C(=N)N.[Cl] P842500 c1c(cn[nH]1)C(=O)O P842550 CCOC(=O)c1c[nH]nc1 P842560 COC(=O)c1cc[nH]n1 P842565 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)[nH]n1 P842800 [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(n[nH]4)CCC)OCC P842802 CN(C)c1ccc(c-2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(c5c3c2n[nH]5)O)C(=O)N)O)N(C)C)O P843500 c1cc2c(n[nH]c2nc1)CC(=O)O P845000 B(=[N+]=Nc1c2cccnc2[nH]n1)(F)(F)F.[F-] P846000 C[Si](C)(C)CCOCn1ccc2c1ncnc2c3c[nH]nc3 P847000 [2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] P849002 c1cc2cc[13c]3[13cH][13cH][13cH][13c]4[13c]3c2c(c1)cc4 P849003 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCCN P850000 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)O P980500 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)NCC(=O)O P981000 c1ccc(cc1)C[C@H](C(=O)O)NC(=O)CNC(=O)CCCc2ccc3ccc4cccc5c4c3c2cc5 P981050 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)CCCc2ccc3ccc4cccc5c4c3c2cc5 P981060 CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc2ccc3ccc4cccc5c4c3c2cc5 P981120 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)Cl P989000 CS(=O)(=O)SCCCNC(=O)CCCc1ccc2ccc3cccc4c3c2c1cc4 P989010 c1cc2ccc3ccc(c4c3c2c(c1)cc4)C=O P989200 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CO P989440 CC(=C)C(=O)OCc1ccc2ccc3cccc4c3c2c1cc4 P989500 [2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])OC(=O)C)[2H])[2H])[2H])[2H])[2H] P989582 C[C@H]1OC(=O)/C=C/[C@H](CC[C@H](OC(=O)/C=C/[C@H](CC1)O)C)O P989610 c1cc2ccc3ccc(c4c3c2c(c1)cc4)NC(=O)CI P989630 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3ccc4cccc5c4c3c2cc5)C(=O)OC)OC(=O)C P989650 CS(=O)(=O)SCCC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4 P989750 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)N P989925 c1cc2ccc3ccc(c4c3c2c(c1)cc4)N5C(=O)C=CC5=O P990200 CS(=O)(=O)SCc1ccc2ccc3cccc4c3c2c1cc4 P990500 CS(=O)(=O)SCCNC(=O)CCCc1ccc2ccc3cccc4c3c2c1cc4 P991250 CC(C)(C)c1ccc(cc1)CSc2cnn(c(=O)c2Cl)C(C)(C)C P991260 c1cc(nnc1)C(=O)O P991265 c1cnncc1C(=O)O P991270 c1cnccc1CC#N.Cl P991275 c1ccncc1.Cl P991280 c1ccnc(c1)/C=N/O P991290 c1cnccc1/C=N\O P991300 B(c1ccncc1)(O)O P991350 B(c1ccncc1)(O)O P991355 B1(OC(C(O1)(C)C)(C)C)c2cccnc2 P991370 B1(OC(C(O1)(C)C)(C)C)c2ccncc2 P991375 c1cc(cnc1)C=O P991450 [2H]c1c(c(c(nc1[2H])[2H])C=O)[2H] P991452 c1c[n+](ccc1C(=O)N)[O-] P991500 c1ccnc(c1)S(=O)(=O)Cl.Cl P991550 c1ccncc1.O=S(=O)=O P991560 c1ccnc(c1)Nc2ccc(cc2)N P991575 c1ccc2c(c1)c(n[nH]c2=O)Cc3ccncc3 P991600 c1c(cncc1C(=O)O)C(=O)O P991620 c1cc(c(nc1)C(=O)O)C(=O)O P991630 [2H]c1c(c(c(nc1[2H])[2H])CO)[2H] P991632 [2H][13c]1[13c]([13c](n[13c]([13c]1[13C](=O)O)[2H])[13C](=O)O)[2H] P991643 [13cH]1[13cH][13c](n[13cH][13c]1[13C](=O)O)[13C](=O)O P991644 c1ccc(c(c1)[15NH2])[15NH]c2cccc[15n]2 P991647 c1ccc2c(c1)nnn2c3ccccn3 P991650 c1ccc2c(c1)[15n]n[15n]2c3cccc[15n]3 P991652 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C P991665 c1cc(cnc1)C(=O)C2CCCNC2=O P991675 [2H]c1c(c(c(nc1[2H])[2H])C(=O)C2CCCNC2=O)[2H] P991677 C[C@]\1([C@@H]2C[C@@H](C2(C)C)C/C1=N/Cc3cccnc3)O P991680 c1ccnc(c1)CNC(=O)c2cc(ccc2OCC(F)(F)F)OCC(F)(F)F P991690 c1ccnc(c1)c2ccnc(n2)N P991695 c1cc(cnc1)c2ccnc(n2)N P991700 [2H]c1c(c(c(nc1[2H])[2H])/C=C/C(=O)c2ccncc2)[2H] P991702 C[n+]1cccc(c1)OC(=O)N(C)C.[Br-] P991705 [2H]C([2H])([2H])N(C(=O)Oc1ccc[n+](c1)C)C([2H])([2H])[2H].[Br-] P991707 c1cc2c(nc1)C(=O)CCC(=O)N2 P991710 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O P991715 [2H]C([2H])([2H])c1c(c(c(cn1)C([2H])([2H])OP(=O)(O)O)C=O)O P991717 Cc1c(c(c(cn1)CO)CN)O P991725 Cc1c(c(c(cn1)CO)CO)O.Cl P991735 [2H]C([2H])([2H])c1c(c(c(cn1)CO)CO)O.Cl P991736 [2H]C([2H])([2H])c1c(c(c(cn1)C([2H])([2H])O)CO)O P991737 Cc1c(c2c(cn1)COC2)O P991740 CC(=O)Oc1ccccn1 P991745 c1ccnc(c1)CC(=O)O.Cl P991750 [2H]c1c(c(nc(c1[2H])C([2H])([2H])C(=O)O)[2H])[2H].Cl P991752 [2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])C(=O)O)[2H] P991762 c1cc(cnc1)CC(=O)O.Cl P991765 c1cc(cnc1)/C=C/C=O P991775 c1cc(cnc1)C2CC(=O)NC2 P991790 c1ccnc(c1)NCCO P991850 c1ccnc(c1)NCCOc2ccc(cc2)C=O P991880 c1ccnc(c1)NCCOc2ccc(cc2)/C=C\3/C(=O)NC(=O)S3 P991900 c1ccnc(c1)c2ccc(cc2)C=O P992125 c1ccnc(c1)c2ccc(cc2)C(=O)O P992140 c1ccnc(c1)c2ccc(cc2)C(=O)Cl P992150 c1ccnc(c1)c2ccc(cc2)C(=O)NCC(=O)O P992160 c1ccnc(c1)c2ccc(cc2)C(=O)[15NH][13CH2][13C](=O)O P992162 c1ccnc(c1)c2ccc(cc2)CO P992175 B1(OB(OB(O1)c2cccnc2)c3cccnc3)c4cccnc4 P992375 c1cc(cnc1)C(CCCO)O P992500 c1cc(cnc1)C(CCC(=O)[O-])O.[NH4+] P992550 [13cH]1[13cH][13c]([13cH]n[13cH]1)[13CH](CCC(=O)[O-])O.[NH4+] P992552 c1cc(cnc1)C(=O)CCC(=O)O P992575 [2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])O)[2H] P992802 CCN(CC)C(=O)Oc1cccnc1 P992950 c1cnccc1NC(=O)CC(CO)O P992970 Cc1c(n2c(c(c(=O)n2c1=O)C)CSSc3ccccn3)C P993000 c1ccnc(c1)SSCCC(=O)O P993030 c1ccnc(c1)SSCCC(=O)NN P993040 c1ccnc(c1)NCCC(=O)O P993315 c1ccnc(c1)NCCN P993325 c1ccnc(c1)CCS P994000 c1cnccc1CCS P994050 c1cnccc1CCS.Cl P994055 CC(=O)SCCc1ccccn1 P995000 CC(=O)SCCc1ccncc1 P995010 CC(C(=O)O)SCCc1ccncc1 P995050 CC(C(=O)[O-])SCCc1ccncc1.[Na+] P995060 c1ccc2c(c1)C(=O)N(C2=O)CCCCn3cc(nc3)c4cccnc4 P995160 c1ccc2c(c1)c(c[nH]2)c3ccncc3 P995200 c1ccc2c(c1)C(=O)C(=[N+]2[O-])c3ccccn3 P995290 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)Nc4cccnc4 P995375 c1ccnc(c1)CSc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O P995550 c1ccc(c(c1)C#Cc2ccccn2)[N+](=O)[O-] P995665 c1ccnc(c1)NC(=O)C(=O)O P995700 c1ccnc(c1)N2CCNCC2 P995725 c1cc(cnc1)/C=C/CO P995750 c1ccc(c(c1)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3)O P995800 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)c3cc(cc(c3O)C(=O)O)/N=N/c4ccc(cc4)S(=O)(=O)Nc5ccccn5 P995810 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)c3cc(ccc3/N=N/c4ccc(c(c4)C(=O)O)O)S(=O)(=O)Nc5ccccn5 P995815 c1cc(cnc1)C2CCC(=O)O2 P995900 c1cnccc1SCC(=O)O P996080 c1ccnc(c1)SSCCN.Cl P996100 c1ccnc(c1)SSCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O P996250 CC(C)(C)OC(=O)NOCC(=O)NCCSSc1ccccc1 P996425 c1ccnc(c1)SSCCC(=O)ON2C(=O)CCC2=O P996850 c1cc(cnc1)n2c(=O)[nH][nH]c2=O P996900 c1cnccc1NC(=O)Nc2c(cc(cc2Cl)Cl)Cl P997000 c1cc(cnc1)OS(=O)(=O)C(F)(F)F P997210 CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl P997240 Cc1cc(nc(n1)Nc2ccccc2)C P997250 CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4 P997255 B1(OC(C(O1)(C)C)(C)C)c2cncnc2 P997260 c1c(cncn1)C=O P997265 c1cnc(nc1)C(=N)N.Cl P997270 CCc1c(c(ncn1)NCCOc2ccc(c(c2C)C)CCOCC)Cl P997300 [2H]C([2H])([2H])C([2H])([2H])OCCc1ccc(c(c1C)C)OCCNc2c(c(ncn2)CC)Cl P997302 c1c(cncn1)CN P997350 Cc1cc(c(c(c1C(=O)c2c(c(cnc2OC)Cl)C)OC)OC)OC P997370 [2H][13C]([2H])([2H])c1c(cnc(c1C(=O)c2c(cc(c(c2OC)OC)OC)C)OC)Cl P997372 c1cnc2nc3c(c(=O)n2c1)nc[nH]3 P997400 c1[nH]c2c(n1)c(=O)n3[13cH][13cH][13cH]nc3n2 P997402 Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO.Br.[Br-] P997415 Cc1c(c(c(cn1)CSSCc2cnc(c(c2CO)O)C)CO)O P997420 [2H]C([2H])([2H])c1c(c(c(cn1)C([2H])([2H])SSC([2H])([2H])c2cnc(c(c2CO)O)C([2H])([2H])[2H])CO)O.O P997422 c1ccc2cc(ccc2c1)NC(=O)C3CCC(=O)N3 P997500 C1CC(=O)N[C@@H]1CO P997525 c1cocc(c1=O)O P997600 CCCCC(CC)COC(=O)c1c(c(c(c(c1Br)Br)Br)Br)C(=O)OCC(CC)CCCC P997650 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])OC(=O)c1c(c(c(c(c1Br)Br)Br)Br)C(=O)OC([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] P997652 CCCC(C(=O)c1ccc(cc1)C)N2CCCC2.Cl P997750 [2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl P997752 c1cc(n(c1CO)CCCC[C@@H](C(=O)O)N)C=O P997780 c1ccc(cc1)/C(=C\CN2CCCC2)/Cc3ccc(cc3)Cl P997800 c1cc([nH]c1)C=O P997875 c1c[nH]c(c1C(=O)O)C(=O)O.O P997880 c1c(c([nH]c1C(=O)O)C(=O)O)C(=O)O P997885 C1CCNC1 P997950 c1c[nH]c2c1c(ncn2)N3CCCC3 P998000 C1CNCC1=O.Cl P998410 C1CC(=O)N[C@@H]1C(=O)O P998500 CCCC(C(=O)c1ccccc1)N2CCCC2=O P998530 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(CCC)N2CCCC2=O)[2H])[2H] P998532 c1cnccc1C2CCCN2 P998550 c1cc(ccc1CS(=O)(=O)N2CCCC2)NN.Cl P998560 c1cc2cc[nH]c2[n+](c1)[O-] P998600 CC(=O)Cc1ccc[nH]1 P998800 CC(=O)C(=O)[O-].[Na+] P998900 [2H][13C]([2H])([2H])C(=O)C(=O)[O-].[Na+] P998902 C[13C](=O)C(=O)[O-].[Na+] P998903 CCOC(=O)C(=O)C P998915 CCO[13C](=O)C(=O)C P998917 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O Q509510 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O)O Q509515 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)C5=Nc6ccccc6Sc7c5cccc7 Q509960 [2H]c1c(c(c(c(c1[2H])[2H])COC(=O)CNC(=O)C(Cc2ccccc2)CSC(=O)C)[2H])[2H] R070602 CCN1CCC[C@H]1CNC(=O)c2c(c(cc(c2OC)Cl)Cl)O.Cl R070800 [2H]C([2H])([2H])C([2H])([2H])N1CCC[C@H]1CNC(=O)c2c(c(cc(c2OC)Cl)Cl)O.Cl R070802 CC(CCc1ccc(cc1)O)NCC(c2ccc(cc2)O)O.Cl R071400 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)NCC(c2ccc(cc2)O)O.Cl R071402 [2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)NCC(=O)c2ccc(cc2)O.Cl R071412 CC(CCc1ccc(cc1)O)NCC(c2ccc(cc2)O)OC R071430 C.C([C@@H]1C([C@H]([C@](O1)(CO)O[C@H]2[C@H](C([C@H](C(O2)CO[C@@H]3[C@H](C([C@H](C(O3)CO)O)O)O)O)O)O)O)O)O R073000 c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)I)I)Cl R073500 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O.Cl R100000 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O)N5CCCCC5 R100001 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O)N5CCCCC5.Cl R100002 c1cc(ccc1c2c(c3ccc(cc3s2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O R100005 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)N7CCCCC7 R100007 COc1ccc(cc1)c2c(c3ccc(cc3s2)OC)C(=O)c4ccc(cc4)OCCN5CCCCC5 R100010 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)OC)OC)N5CCCCC5 R100012 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3c(c4ccc(cc4s3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c6ccc(cc6)OCCN7CCCCC7)C(=O)OC)OC(=O)C R100015 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N7CCCCC7 R100017 [2H]C1(C(N(C(C(N1C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])([2H])[2H])C5=Nc6ccccc6Sc7c5cccc7)([2H])[2H])[2H] Q509962 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCOCCO Q510000 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O Q510002 [2H]C([2H])(C([2H])([2H])OCCO)N1CCN(CC1)C2=Nc3ccccc3Sc4c2cccc4.C(=C/C(=O)O)\C(=O)O Q510003 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)CCO Q510010 [2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H] Q510012 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CC[N+](CC4)(CCOCCO)[O-] Q510020 c1ccc2c(c1)C(=Nc3ccccc3S2(=O)=O)N4CCN(CC4)CCOCCO Q510025 c1ccc2c(c1)C(=Nc3ccccc3S2=O)N4CCN(CC4)CCOCCO Q510030 [2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccccc3S(=O)c4c2cccc4)([2H])[2H])[2H] Q510032 c1c(c2c([nH]1)[nH]c(nc2=O)N)CNC3C=C[C@@H]([C@@H]3O)O Q525000 CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)[O-])Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4.[Na+] Q535400 CC(=O)c1ccc(c2c1cccn2)O Q550540 [2H]C([2H])([2H])C([2H])([2H])N(CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl)C([2H])([2H])C([2H])([2H])[2H] Q550600 CCCN1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)N(CC)CC.Cl Q580500 [2H]C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])[2H])S(=O)(=O)N[C@H]1C[C@@H]2Cc3c(cccc3O)C[C@H]2N(C1)CCC.Cl Q580502 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)OCc4ccccc4)[2H])[2H] Q669992 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O.Cl Q670000 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)[2H])[2H].Cl Q670002 CCOC(=O)[C@H](CCc1ccccc1)N2[C@H](C(=O)N3Cc4ccccc4C[C@H]3C2=O)C Q670005 C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O Q670010 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)[2H])[2H] Q670012 CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)N[C@@H](CCc3ccccc3)C(=O)OCC Q670015 CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O Q670020 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=CCCC4)CCC5=CC(=O)C=C[C@]35C Q670150 c1cc(c(c2c1cc(cn2)Cl)C(=O)O)Cl Q670300 CCC1Nc2cc(c(cc2C(=O)N1)S(=O)(=O)N)Cl Q670400 [2H]C([2H])([2H])C([2H])([2H])C1Nc2cc(c(cc2C(=O)N1)S(=O)(=O)N)Cl Q670402 c1cc(oc1)C(=O)Oc2ccc3c(c2)CCCN3C(=O)C(Cl)Cl Q670600 COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q685000 [2H]C([2H])([2H])Oc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q685002 COc1ccc2c(c1)c(ccn2)[C@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q685005 COc1ccc2c(c1)c(cc[n+]2[O-])[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q685010 [2H]C([2H])([2H])Oc1ccc2c(c1)c(cc[n+]2[O-])[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q685012 COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O Q685015 [2H]C([2H])([2H])Oc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O Q685017 COc1ccc2c(c1)c(ccn2)[C@@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q693995 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q694000 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O.OS(=O)(=O)O Q694001 [2H]C([2H])([2H])Oc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q694002 COc1ccc2c(c1)c(cc[n+]2[O-])[C@H]([C@@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O Q694005 COc1ccc2c(c1)c(cc[n+]2[O-])[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q694010 [2H]C([2H])([2H])Oc1ccc2c(c1)c(cc[n+]2[O-])[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O Q694012 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O Q694015 [2H]C([2H])([2H])Oc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@+]3(C[C@@H]4C=C)[O-])O Q694017 Cc1cc2ccc(c(c2nc1)C(=O)O)Cl Q696500 Cc1c[13c]2[13cH][13cH][13c]([13c]([13c]2nc1)C(=O)O)Cl Q696502 c1ccc2c(c1)cc(cn2)C(=O)O Q700500 c1cc2cccnc2c(c1)CN Q700700 c1cc2c(cccn2)c(c1)S(=O)(=O)Cl Q700995 c1cc2cc(ccc2nc1)S(=O)(=O)Cl Q701000 c1ccc2c(c1)cc(cn2)S(=O)(=O)Cl Q701005 c1ccc2c(c1)ccc(n2)C3C(=O)c4ccccc4C3=O Q701040 c1cc2c(nc1)C(=O)NC2=O Q711500 c1ccc2c(c1)cccn2.[O-2].[O-2].[O-2].[Cl-].[Cr+7] Q750000 COc1ccc2c(c1)c(ccn2)C(=O)CC[C@@H]3CCNC[C@@H]3C=C Q753500 c1ccc2c(c1)ncc(n2)C=O Q765200 c1cc2c(cc1C(=O)O)nccn2 Q765260 c1ccc2c(c1)[n+](cc([n+]2[O-])CO[N+](=O)[O-])[O-] Q765280 c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O Q765300 c1cc(ccc1Oc2ccnc3c2c(cc(c3)Cl)Cl)F Q765500 CS(=O)(=O)SCC[N+]12CCC(CC1)CC2.[Br-] Q795750 C1C2[C@H](C[N@](C1)CC2)O Q795780 C1C2C(C[N@](C1)CC2)O Q795785 CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc(cc8)N(C)C)C Q796000 c1ccc2c(c1)CCc3ccccc3N2C4CN5CCC4CC5 Q796700 c1ccc2c(c1)ccc(n2)N3CCNCC3.C(=C\C(=O)O)\C(=O)O Q797500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc3ccccc3n2)([2H])[2H])[2H].C(=C\C(=O)O)\C(=O)O Q797502 C([C@H](C(=O)O)N)n1c(=O)[nH]c(=O)o1 Q825000 CCOC(=O)[C@@H](C)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl Q826080 C[C@H](C(=O)OC)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl Q826100 CSC\1CCN(C/C1=C/C(=O)O)C(c2ccccc2F)C(=O)C3CC3 R070150 [2H]C([2H])([2H])SC\1CCN(C/C1=C/C(=O)O)C(c2ccccc2F)C(=O)C3CC3 R070152 c1ccc(c(c1)C(C(=O)C2CC2)N3CCC(/C(=C\C(=O)O)/C3)SSC[C@@H](C(=O)O)N)F R070180 [2H]C1(C(C1([2H])[2H])C(=O)C(c2ccccc2F)N3CCC(/C(=C/C(=O)O)/C3)S)[2H] R070202 CCOC(=O)/C=C/1\CN(CCC1SCC(=O)c2cccc(c2)OC)C(c3ccccc3F)C(=O)C4CC4 R070215 Cc1c(cc[n+](c1CS(=O)c2[nH]c3ccccc3n2)[O-])OCCCOC R070495 Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC.[NaH] R070500 [2H]C([2H])([2H])OCCCOc1ccnc(c1C)CS(=O)c2[n-]c3ccccc3n2.[Na+] R070503 Cc1c(ccnc1CS(=O)(=O)c2[nH]c3ccccc3n2)OCCCOC R070505 [2H]C([2H])([2H])OCCCOc1ccnc(c1C)CS(=O)(=O)c2[nH]c3ccccc3n2 R070507 Cc1c(ccnc1CSc2[nH]c3ccccc3n2)OCCCOC R070510 [2H]C([2H])([2H])OCCCOc1ccnc(c1C)CSc2[nH]c3ccccc3n2 R070512 Cc1c(cc[n+](c1CS(=O)(=O)c2[nH]c3ccccc3n2)[O-])OCCCOC R070515 Cc1c(ccnc1C[S@H](c2[nH]c3ccccc3n2)O)OCCCOC R070520 Cc1c(ccnc1C[S@@H](c2[nH]c3ccccc3n2)O)OCCCOC R070525 Cc1c(cc[n+](c1CSc2[nH]c3ccccc3n2)[O-])OCCCOC R070535 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 R070600 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O R100020 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)N6CCCCC6 R100022 c1cc(ccc1c2c(c3ccc(cc3s2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)O R100025 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)N6CCCCC6 R100027 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCC[N+]5(CCCCC5)[O-])O R100050 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NCc3ccc(cc3)F.[K+] R100300 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)c2nnc(o2)C)C(=O)NCc3ccc(cc3)F)[O-].[K+] R100302 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)O)C(=O)NCc3ccc(cc3)F R100303 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)[O-])C(=O)NC[13c]3[13cH][13cH][13c]([13cH][13cH]3)F.[K+] R100304 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)NCc4ccc(cc4)F R100310 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)c2nnc(o2)C)C(=O)NCc3ccc(cc3)F)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O R100312 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)C(=O)NCc4ccc(cc4)F R100320 CNC(=O)c1cnn(c1)c2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N R142800 [2H]C([2H])([2H])NC(=O)c1cnn(c1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N R142802 CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl R143000 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)c2nnc(o2)C)C(=O)NCc3ccc(cc3)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O R100322 Cc1nnc(o1)C(=O)NC(C)(C)c2nc(c(c(=O)n2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)NCc4ccc(cc4)F R100330 [2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)c2nnc(o2)C)C(=O)NCc3ccc(cc3)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C R100332 Cc1[nH]c(=O)c2cc(ccc2n1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O R100500 c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F R109000 CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 R110051 [2H]C([2H])([2H])CC(=O)NCCC1CCc2c1c3c(cc2)OCC3 R110052 CC(C(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3)O R110060 [2H]C([2H])([2H])C(C(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3)O R110062 Cc1c(c(=O)n(n1C)c2ccccc2)NC(C)C.Cl R110500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Nc1c(n(n(c1=O)c2ccccc2)C)C R110502 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O R111000 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O)[2H])[2H] R111002 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O R111003 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O[C@H]4[C@H](C([C@@H](C(O4)C(=O)O)O)O)O R111005 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O[C@H]4[C@H](C([C@@H](C(O4)C(=O)O)O)O)O)[2H])[2H] R111007 CCOC(=O)[C@@H](CCc1ccccc1)N2[C@H](C(=O)N3[C@H]4CCC[C@H]4C[C@H]3C2=O)C R111008 C[C@@H](C(=O)N1[C@@H]2CCC[C@@H]2C[C@@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O R111010 [2H]C([2H])([2H])[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O R111011 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@@H]2C(=O)O)[2H])[2H] R111012 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O)[2H])[2H] R111013 C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)O)O)O)O)N[C@@H](CCc4ccccc4)C(=O)O R111020 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O[C@H]4[C@H](C([C@@H](C(O4)C(=O)O)O)O)O)[2H])[2H] R111022 C[C@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)N1[C@H](CCc4ccccc4)C(=O)O R111030 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N2[C@H](C(=O)N3[C@H]4CCC[C@H]4C[C@H]3C2=O)C)[2H])[2H] R111032 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)O R111035 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O[C@@H]4[C@H](C([C@@H](C(O4)C(=O)OCC=C)O)O)O R111040 Cn1cc(c2c1cccc2)C(=O)C3CCc4c([nH]cn4)C3.Cl R111050 [2H]C([2H])([2H])n1cc(c2c1cccc2)C(=O)[C@@H]3CCc4c([nH]cn4)C3.Cl R111052 CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl R120000 [2H]C([2H])([2H])N(Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/NC)C([2H])([2H])[2H].Cl R120002 CN(C)Cc1ccc(o1)CSCCN R120005 [2H]C([2H])([2H])N(Cc1ccc(o1)CSCCN)C([2H])([2H])[2H] R120007 CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(o1)C[N+](C)(C)[O-] R120010 CN/C(=C\[N+](=O)[O-])/NCCS(=O)Cc1ccc(o1)CN(C)C R120015 CN/C(=C\[N+](=O)[O-])/NCCS(=O)Cc1ccc(o1)C[N+](C)(C)[O-] R120020 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O)C R122500 [2H]C([2H])([2H])Oc1ccccc1OCC(CN2CCN(CC2)CC(=O)Nc3c(cccc3C)C)O R122502 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C R122510 Cc1cccc(c1NC(=O)C[N+]2(CC[N+](CC2)(CC(COc3ccccc3OC)O)[O-])[O-])C R122515 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)C R122525 Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3OC)OC4(O[C@@H]5[C@H]([C@@H]([C@H](O[C@@H]5O4)C(=O)OC)OC(=O)C)OC(=O)C)C)C R122560 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC R124000 [2H]C([2H])([2H])O[C@@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C R124002 C[C@@H]1CC[C@@H](O[C@]1(C(=O)C(=O)N2CCCC[C@@H]2C(=O)[O-])O)CC(/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@H](C3)OC)O)/C)O)OC)/C)OC.[Na+] R124010 c1cc(c(cc1Cl)Cl)CO R124500 [2H]C([2H])(c1ccc(cc1Cl)Cl)O R124502 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)N(CC#C)[C@@H]2CCc3c2cccc3)C(=O)OC)OC(=O)C R125930 CS(=O)(=O)O.C#CCN[C@@H]1CCc2c1cccc2 R126000 CS(=O)(=O)O.[13CH]#[13C][13CH2]NC1CCc2c1cccc2 R126002 CS(=O)(=O)O.[13CH]#[13C][13CH2]N[C@@H]1CCc2c1cccc2 R126003 CS(=O)(=O)O.C#CCN[C@H]1CCc2c1cccc2 R126005 CS(=O)(=O)O.[13CH]#[13C][13CH2]N[C@H]1CCc2c1cccc2 R126007 C#CCN([C@@H]1CCc2c1cccc2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] R126010 C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC R127000 C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4ccc(cc4F)F)O R128000 [2H]c1c(c(c(c(c1C#N)[2H])[2H])c2csc(n2)[C@H](C)C(Cn3cncn3)(c4ccc(cc4F)F)O)[2H] R128002 CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(cc3)OC R129200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3ccc(cc3)OC R129202 COc1ccccc1CC(=O)c2cn(c3c2cccc3)CCC4CCCCC4 R129210 c1ccc2c(c1)c(cc(=O)[nH]2)CC(C(=O)O)NC(=O)c3ccc(cc3)Cl R139000 [2H]c1c(c(c(c(c1C(=O)NC(Cc2cc(=O)[nH]c3c2cccc3)C(=O)O)[2H])[2H])Cl)[2H] R139002 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)O[C@H]7C([C@H]([C@@H](C(O7)CO)O)O)O)(C)C(=O)O[C@H]8C([C@H]([C@@H](C(O8)CO)O)O)O R139500 CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3.CS(=O)(=O)O R142000 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3.CS(=O)(=O)O R142002 c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)O)F R142400 [2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(c3ccc(cc3)F)O)O)[2H])[2H])Cl)[2H] R142402 CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4.Br R143400 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl R143500 CCC(=O)N([13c]1[13cH][13cH][13cH][13cH][13cH]1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl R143502 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCC(=O)O)C(=O)OC R143520 CCN1CCC[C@H]1CNC(=O)c2c(ccc(c2OC)Br)OC.Cl R143700 CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](CC(C)C)c2ccccc2N3CCCCC3 R144490 CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 R144500 CCOc1cc(ccc1C(=O)OCC)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3 R144505 CCOc1cc(ccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CC(=O)N[C@@H](CC(C)C)c3ccccc3N4CCCCC4 R144510 CCOc1cc(ccc1C(=O)O[C@H]2C(C([C@@H](C(O2)C(=O)OCc3ccccc3)O)O)O)CC(=O)N[C@@H](CC(C)C)c4ccccc4N5CCCCC5 R144520 Cc1ccc2c(c1C)[nH]c(=O)c3c2oc(cc3=O)C(=O)OCCC(C)C R144560 [2H]C([2H])(C(C)C)C([2H])([2H])OC(=O)c1cc(=O)c2c(o1)c3ccc(c(c3[nH]c2=O)C)C R144562 CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Nc2ccc(cc2Cl)F R144570 COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)O R144590 COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC R144600 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O[C@@H]2C[C@@H]3CN4CCc5c6ccc(cc6[nH]c5[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)OC R144602 Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNCC(c3cc(cc(c3)O)O)O R144650 [2H]C([2H])(CC([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C)C)NCC(c3cc(cc(c3)O)O)O R144652 c1cc(cc(c1)O)O R144700 c1c[13c]([13cH][13c](c1)O)O R144702 [13cH]1[13cH][13c]([13cH][13c]([13cH]1)O)O R144703 [2H]c1c(c(c(c(c1[2H])O[2H])[2H])O[2H])[2H] R144704 c1cc2c(cc1[O-])oc-3cc(=O)ccc3n2.[Na+] R146500 c1cc-2nc3ccc(cc3oc2cc1=O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O)O R146510 c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)OS(=O)(=O)O)O R149985 c1cc(ccc1/C=C/c2cc(cc(c2)O)O)OS(=O)(=O)O R149990 c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] R149995 c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O R150000 c1c(cc(cc1O)O)/C=C/[13c]2[13cH][13cH][13c]([13cH][13cH]2)O R150002 c1cc(ccc1/C=C\c2cc(cc(c2)O)O)O R150005 c1cc(ccc1/C=C\c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R150010 c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R150015 c1c(cc(cc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/[13c]3[13cH][13cH][13c]([13cH][13cH]3)O R150017 c1cc(ccc1/C=C\c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O R150020 c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O R150025 c1c(cc(cc1O)O)/C=C/[13c]2[13cH][13cH][13c]([13cH][13cH]2)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O R150027 CC(=O)Oc1ccc(cc1)/C=C/c2cc(cc(c2)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C R150030 CC(=O)Oc1cc(cc(c1)OC(=O)C)/C=C/c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C R150035 c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)[O-])O)O.[Na+] R150040 c1c(cc(cc1O)OS(=O)(=O)[O-])/C=C/[13c]2[13cH][13cH][13c]([13cH][13cH]2)O.[Na+] R150042 CC(=O)Oc1cc(cc(c1)OC(=O)C)/C=C\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C R150045 COc1ccc(cc1)/C=C/c2cc(cc(c2)OC)OC R150050 COc1cc(cc(c1)OC)/C=C/[13c]2[13cH][13cH][13c]([13cH][13cH]2)OC R150052 CC(=O)Oc1ccc(cc1)/C=C/c2cc(cc(c2)OC(=O)C)OC(=O)C R150055 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2cc(cc(c2)O)/C=C\c3ccc(cc3)O)O)O)O R150060 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)/C=C\c3cc(cc(c3)O)O)O)O)O R150065 CC(=O)Oc1cc(cc(c1)OC(=O)C)/C=C\c2ccc(cc2)O R150070 CC(=O)Oc1ccc(cc1)/C=C\c2cc(cc(c2)OC(=O)C)OC(=O)C R150075 c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O R150080 CN1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC.Cl R188500 [2H]C([2H])([2H])N1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC R188502 CN1CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)O)OC)O)OC R188505 [2H]C([2H])([2H])N1CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)O)OC)O)OC R188507 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F R189050 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F.Cl R189051 [2H]C([2H])([2H])C([2H])([2H])OC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F R189052 CCOC(=O)Nc1ccc(cc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NCc3ccc(cc3)F R189060 [2H]c1c(c(c(c(c1CNc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)NC(=O)OCC)[2H])[2H])F)[2H] R189062 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C=O)\C)/C R239850 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=[13CH]\[13CH]=O)\C)/C R239852 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\C=O)\C)/C R239860 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C\C(=C\C=O)\C)/C)(C)C)[2H] R239862 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=O)/C)/C R239900 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=[13CH]\[13CH]=O)/C)/C R239902 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C R240000 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/C=O)/C)/C)(C)C)[2H] R240002 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=[13CH]/[13CH]=O)/C)/C R240003 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)N)/C)/C R243000 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C R245000 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)(C)C)[2H] R245002 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)OC)\C)/C R245010 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O)\C)/C R245015 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\C(=O)O)\C)/C R245020 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C\C(=C\C(=O)O)\C)/C)(C)C)[2H] R245022 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\C(=O)OC)\C)/C R245025 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C/C(=O)O)\C)/C R245030 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C R250000 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)(C)C)[2H] R250002 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C R250200 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)(C)C)[2H] R250202 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C)(C)C)[2H] R250292 CCOC(=O)/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C R250295 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C\C(=O)OCC)/C)/C)(C)C)[2H] R250297 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC)/C)/C R250300 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C R252000 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO)\C)/C R252095 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\COC(=O)C)\C)/C R252100 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])\C=C\C(=C/C=C/C(=C/COC(=O)C)/C)\C)(C)C)[2H] R252102 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C#N)/C)/C R252500 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=[13CH]/[13C]#N)/C)/C R252502 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C#N)/C)/C R252505 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=[13CH]\[13C]#N)/C)/C R252507 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C R253500 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C R253520 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C R275300 CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C R275400 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(CCCC1(C)C)C R275402 CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C R275410 CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C R275500 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])\C=C\C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)\C)(C)C)[2H] R275502 CCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C R275550 [2H]C([2H])([2H])CC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C R275552 CCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C R275600 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])\C=C\C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCCCC)/C)\C)(C)C)[2H] R275602 CCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C R275610 CC\1=CCCC(/C1=C/C=C(\C)/C=C/C=C(\C)/CCO)(C)C R277500 Cc1c(nc(nc1N2CCc3ccccc3C2C)Nc4ccc(cc4)F)C.Cl R279500 [2H]C([2H])([2H])C1c2ccccc2CCN1c3c(c(nc(n3)Nc4ccc(cc4)F)C)C.Cl R279502 c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+] R521500 [2H]c1c(c(c(nc1[2H])[2H])CC(O)(P(=O)(O)O)P(=O)(O)O)[2H] R521502 CCOP(=O)(C(Cc1cccnc1)(O)P(=O)(O)O)O R521515 [2H]C([2H])([2H])OC([2H])([2H])C([2H])([2H])OCO/N=C/1\[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C R700852 c1cc(cc(c1)OCCCNC(=O)CO)CN2CCCCC2.C(=O)(C(=O)O)O R700860 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])Cc2cccc(c2)OCCCNC(=O)CO)([2H])[2H])([2H])[2H])[2H].C(=O)(C(=O)O)O R700862 CC(=O)OCC(=O)NCCCOc1cccc(c1)CN2CCCCC2.Cl R700870 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])Cc2cccc(c2)OCCCNC(=O)COC(=O)C)([2H])[2H])([2H])[2H])[2H].Cl R700872 c1cc(ncc1Cl)N2Cc3c(nccn3)C2=O R700900 CC(C)c1cc(nc(n1)N)c2ccc(c3c2cccc3)F.Cl R700930 CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3c4ccc(cc4CCN3C2)OC.Cl R700950 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)Br)C(=O)OC.Cl R701000 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)Br)C(=O)OC.Cl R701002 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC.Cl R701010 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC.Cl R701012 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(c(c3)Cl)Cl)C(=O)OC.Cl R701100 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(c(c3)Cl)Cl)C(=O)OC.Cl R701102 c1ccc(cc1)C2COC(=N2)N R314500 c1ccc(cc1)[C@@H]2COC(=N2)N R314510 c1ccc(cc1)[C@H]2COC(=N2)N R314515 CC1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O.O R315000 CCS(=O)(=O)C([C@H]([C@H]([C@@H]([C@@H](C)O)O)O)O)S(=O)(=O)CC R315025 C[C@H]([C@H]([C@@H]([C@@H](C(S(=C)C)S(=C)C)O)O)O)O R315050 CN1CCc2cc3c(cc2[C@@H]4[C@H]1c5ccc6c(c5[C@@H](O4)OC)OCO6)OCO3 R317500 c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O R318500 c1c(cc(c2c1C(=O)[13c]3[13cH][13cH][13cH][13c]([13c]3C2=O)O)O)C(=O)O R318502 c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)C2=O R318505 c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)c4c(cc(cc4O)C(=O)O)C2=O R318510 c1cc2c(c(c1)OS(=O)(=O)O)C(=O)c3c(cc(cc3OS(=O)(=O)O)C(=O)O)C2=O R318515 c1ccc(c(c1)c2c3ccc(cc3oc-4cc(=[NH2+])ccc24)N)C(=O)O.[Cl-] R318580 COC(=O)c1ccccc1c2c3ccc(cc3oc-4cc(=[NH2+])ccc24)N.[Cl-] R318585 COC(=O)c1cc(ccc1c2c3ccc(cc3[o+]c4c2ccc(c4)N)N)C(=O)NCCN5C(=O)C=CC5=O.OS(=O)(=O)[O-] R318590 COC(=O)c1ccc(cc1c2c3ccc(cc3[o+]c4c2ccc(c4)N)N)C(=O)NCCN5C(=O)C=CC5=O.OS(=O)(=O)[O-] R318600 CCNc1cc2c(cc1C)C3(c4ccccc4C(=O)N3NC(=S)Nc5ccccc5)c6cc(c(cc6O2)NCC)C R318620 CC(CCc1ccc(cc1)O)O R318650 c1nc(nn1[C@@H]2C([C@H]([C@H](O2)CO)O)O)C(=O)N R414470 c1nc(nn1[C@H]2[C@H](C([C@H](O2)CO)O)O)C(=O)N R414475 c1nc(nn1[13C@H]2[13C@H]([13CH]([13C@H](O2)[13CH2]O)O)O)C(=O)N R414477 c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)C(=O)N R414495 [Li+].[Li+].c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)C(=O)N R414500 c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)C(=O)N.[Na+].[Na+].[Na+] R414505 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(n2)C(=O)N)OC(=O)C)OC(=O)C R414515 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](CO)O)O)O R414995 Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O.[Na+] R415000 Cc1cc2c(cc1C)n(c-3[15n][13c](=O)[15nH]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](CO)O)O)O R415002 C([C@@H]1[C@@H](C([C@@H](O1)NC(=O)NC(=N)N)O)O)O R415600 c1cc(=O)n(cc1[N+](=O)[O-])[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O R415700 COC(=O)c1ncn(n1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O R415725 c1cc(=O)n(c2c1[nH]nn2)[C@H]3[C@H](C([C@H](O3)CO)O)O R415750 CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1C(=O)OC)OC(=O)C)OC(=O)C R415900 C(C1[C@H]([C@H](C(=O)O1)O)O)O R416000 C1CCC2(CC1)O[C@H]3C(O2)[C@H](OC3=O)CO R416005 C1[C@H]([C@@H](C([C@@H](O1)N)O)O)O R416850 C([C@@H]1C([C@@H]([C@@H](O1)O)O)O)O R417500 C([C@H]1C([C@H]([C@@H](O1)O)O)O)O R417505 C1[C@H](NC(S1)[C@@H]([C@@H]([C@@H](CO)O)O)O)O R417550 CCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)C R422500 CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC R423500 C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C R425060 [2H][C@@]1(C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)NC(CSSCC/C=C2)C(=O)N/C(=C\C)/C(=O)N1)C(C)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] R425062 CCC[N+](CCC)(CCc1cccc2c1CC(=O)N2)[O-] R441015 C1CCC(CC1)N.C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)O R495000 Cn1ccc(c(c1=O)C#N)OC R495550 [2H]C([2H])([2H])n1ccc(c(c1=O)C#N)OC R495552 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C/C=C\CCCCCCCC(=O)O)O R495602 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OP(=O)(C)C)C)/C)O)OC)C)C)/C)OC R495850 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R505000 [2H]C([2H])([2H])C(CN1CCC2(CC1)NC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N4)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C3=N2)C([2H])([2H])[2H] R505002 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCN(CC5)CC(C)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R507900 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCN(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508000 [2H]C([2H])([2H])N1CCN(CC1)/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508002 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=[N+](/N5CCN(CC5)C)\[O-])\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508020 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C3=O)/C=N/N5CCN(CC5)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508040 Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OCC(=O)O)O R508170 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=CC35OCC(=O)O5)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508190 Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)O.[NaH] R508200 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=CC3=O)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508210 Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O R508500 Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O R509500 [2H]c1c(n2c3c(c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc3c5O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)nc2c(c1C([2H])([2H])[2H])[2H])[2H] R509502 Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N R509800 [2H]C([2H])([2H])c1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C([2H])([2H])[2H])/C=C/C#N R509802 c1cc2c(cc1OC(F)(F)F)sc(n2)N R510000 c1cc2c(cc1OC(F)(F)F)s[13c]([15n]2)[15NH2] R510002 CC(N)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3.Cl R517000 [2H]C(C(N)(C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)[2H])([2H])[2H].Cl R517002 c1cc(c(cc1[C@@H]([C@H]2CCCCN2)O)O)O.Br R517500 [2H]c1c(c(c(c(c1[C@@]([2H])([C@H]2CCCCN2)O)[2H])O)O)[2H].Br R517502 Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl.Cl R517800 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])NC(=O)c2c(c(n(n2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl)C)([2H])[2H])([2H])[2H])[2H].Cl R517802 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)F R525000 [2H]C([2H])(c1c(nc2n(c1=O)CCCC2)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F R525002 Cc1c(c(=O)n2c(n1)CCCC2)CC[N+]3(CCC(CC3)c4c5ccc(cc5on4)F)[O-] R525010 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)/C(=N\O)/c4ccc(cc4F)F R525015 Cc1c(c(=O)n2c([n+]1[O-])CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)F R525020 Cc1c(c(=O)n2c(n1)CCCC2)CCOC(=O)N3CCC(CC3)c4c5ccc(cc5on4)F R525025 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5o[n+]4[O-])F R525030 c1ccc(cc1)[C@@H]([C@H]2CCCCN2)C(=O)O R533100 [2H]C1(C(C(NC(C1([2H])[2H])([2H])C([2H])(c2ccccc2)C(=O)O)([2H])[2H])([2H])[2H])[2H] R533102 [2H][C@@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)O R533103 c1ccc(cc1)[C@@H]([C@H]2CCCCN2)C(=O)O.Cl R533105 c1ccc(cc1)[C@@H]([C@@H]2CCCCN2)C(=O)O.Cl R533110 c1ccc(cc1)C(C2CCCC(=O)N2)C(=O)O R533115 c1ccc(cc1)[C@@H]([C@@H]2CCCCN2)C(=O)O R533120 [2H][C@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)O R533122 c1ccc(cc1)[C@H]([C@H]2CCCCN2)C(=O)O R533125 [2H][C@@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@@]([2H])(c2ccccc2)C(=O)O R533127 c1ccc(cc1)[C@@H]([C@@H]2CCCCN2)C(=O)O R533130 [2H][C@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)O R533132 Cc1c(c(=O)n2ccsc2n1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3 R533400 C[C@@H]([C@@H](c1ccc(cc1)O)O)NCCc2ccc(cc2)O.Cl R533700 c1ccc(cc1)[C@@H]([C@H]2CCCCN2)C(=O)O R533990 [2H][C@@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@]([2H])(c2ccccc2)C(=O)O R533992 c1ccc(cc1)[C@H]([C@@H]2CCCCN2)C(=O)O R533995 [2H][C@]1(C(C(C(C(N1)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[C@@]([2H])(c2ccccc2)C(=O)O R533997 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O R535000 [2H]C([2H])([2H])C(c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O)C([2H])([2H])[2H] R535002 CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[13CH2][13c]4[13cH]ncs4)O R535003 c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl R538000 [2H]c1c(c(c(c(c1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl)[2H] R538002 c1cc(ccc1N2C[C@@H](OC2=O)CNC(=O)c3ccc(s3)Cl)N(CCO)C(=O)CO R538010 c1cc(ccc1N2CCOCC2=O)N3C([C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl)O R538020 CCN(C)C(=O)Oc1cccc(c1)[C@@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O R540990 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O R541000 [2H]C([2H])([2H])N(C(C)c1cccc(c1)OC(=O)N(C)CC)C([2H])([2H])[2H] R541002 CN(C)CCc1c[nH]c2c1cc(cc2)Cn3cncn3.c1ccc(cc1)C(=O)O R545000 [2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)Cn3cncn3)C([2H])([2H])[2H].c1ccc(cc1)C(=O)O R545002 C[N+](C)(CCc1c[nH]c2c1cc(cc2)Cn3cncn3)[O-] R545010 [2H]C([2H])([2H])[N+](CCc1c[nH]c2c1cc(cc2)Cn3cncn3)(C([2H])([2H])[2H])[O-] R545012 CN(C)CCCC(c1c(c2cc(ccc2[nH]1)Cn3cncn3)CCN(C)C)c4c(c5cc(ccc5[nH]4)Cn6cncn6)CCN(C)C R545015 CCc1ccc(c(c1)CC(=O)O)Nc2c(c(cc(c2F)F)F)F R638000 c1c(ccc(c1)Cl)/C=N/NC(=N)N/N=C/c2ccc(cc2)Cl.Cl R639000 [2H]c1c(c(c(c(c1[2H])Cl)[2H])[2H])/C=N/NC(=N)N/N=C/c2c(c(c(c(c2[2H])[2H])Cl)[2H])[2H] R639002 CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-] R639500 CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[N+]5(CCOCC5)[O-])C)C)[N+]6(CCCC6)CC=C.[Br-] R639510 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F R639700 [2H]C1(C(C1([2H])[2H])COc2cc(ccc2OC(F)F)C(=O)Nc3c(cncc3Cl)Cl)[2H] R639702 c1cc(c(cc1C(=O)Nc2c(c[n+](cc2Cl)[O-])Cl)OCC3CC3)OC(F)F R639710 [2H]C1(C(C1([2H])[2H])COc2cc(ccc2OC(F)F)C(=O)Nc3c(c[n+](cc3Cl)[O-])Cl)[2H] R639712 c1ccc(cc1)C2(CCCCC2)N3CCCC3 R639900 [2H]c1c(c(c(c(c1[2H])[2H])C2(CCCCC2)N3CCCC3)[2H])[2H].Cl R639902 c1cc(c(c(c1)Br)NC2=NCCN2)F.Cl R640050 [2H]C1(C(N=C(N1)Nc2c(cccc2Br)F)([2H])[2H])[2H].Cl R640052 Cn1c(cnc1COC(=O)N)[N+](=O)[O-] R640200 [2H]C([2H])([2H])n1c(cnc1COC(=O)N)[N+](=O)[O-] R640202 CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl R641000 [2H]C([2H])([2H])CCN(CCC)CCc1cccc2c1CC(=O)N2.Cl R641002 [2H]C([2H])(CC)N(CCc1cccc2c1CC(=O)N2)C([2H])([2H])CC.Cl R641003 CCCN(CCC)CCc1cccc(c1CC(=O)O)N R641015 [2H]C([2H])(CC)N(CCc1cccc(c1CC(=O)O)N)C([2H])([2H])CC R641017 CCCN1CCCCC1C(=O)Nc2c(cccc2C)C.O.Cl R675000 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCC[C@H]1C(=O)Nc2c(cccc2C)C.Cl R675002 CCCN1CCCC[C@@H]1C(=O)Nc2c(cccc2C)C.Cl R675005 CCC[N+]1(CCCC[C@H]1C(=O)Nc2c(cccc2C)C)[O-] R675010 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+]1(CCCC[C@H]1C(=O)Nc2c(cccc2C)C)[O-] R675012 CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 R684000 Cc1cc2c(cc1N(C)C)n(c-3nc(=O)[nH]c(=O)c3n2)CC(C(C(CO)O)O)O R685000 CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3.C(=C\C(=O)O)\C(=O)O R693500 [2H]C([2H])([2H])N(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3 R693502 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O R700500 [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C([2H])([2H])[2H].[Na+] R700502 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O R700503 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)OCC=C)O)O R700505 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@H](CC(=O)[O-])O)O.[Na+] R700510 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)[O-])O)O.[Na+] R700515 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)OC(C)(C)C)O)O R700520 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R700525 [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O)C([2H])([2H])[2H] R700527 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O R700530 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@@H](CC(=O)[O-])O)O R700535 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C3C[C@H](CC(=O)O3)O R700550 [2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C([2H])([2H])[2H] R700552 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H]3C[C@@H](CC(=O)O3)O R700555 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H]3C[C@H](CC(=O)O3)O R700560 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)OC)O)O R700565 CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C[P+](c3ccccc3)(c4ccccc4)c5ccccc5.[Br-] R700570 CCCN(CCc1cccs1)C2CCc3c(cccc3O)C2.Cl R700695 CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3O)C2.Cl R700700 [2H]C([2H])([2H])CCN(CCc1cccs1)C2CCc3c(cccc3O)C2.Cl R700702 CCCN(CCc1cccs1)[C@@H]2CCc3c(cccc3O)C2 R700705 CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C2 R700710 [2H]C([2H])([2H])CCN(CCc1cccs1)C2CCc3c(cccc3OC)C2 R700717 [2H]C([2H])([2H])CC(=O)N(CCc1cccs1)C2CCc3c(cccc3OC)C2 R700727 CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3OS(=O)(=O)O)C2 R700730 COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)OC)OC R700760 CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O R700850 Cc1cc(ccc1Cl)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C.Cl R701105 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(c(c3)C)Cl)C(=O)OC.Cl R701107 CN1C2CCC1[C@H]([C@H](C2)c3ccc(cc3)Cl)C(=O)Oc4ccccc4.Cl R701110 [2H]c1c(c(c(c(c1[2H])[2H])OC(=O)[C@H]2[C@H](CC3CCC2N3C)c4ccc(cc4)Cl)[2H])[2H].Cl R701112 [2H]C([2H])(c1c(cccc1F)F)n2cc(nn2)C(=O)N R701200 CN1C2CCC1[C@H]([C@H](C2)c3ccc(cc3)Cl)c4cc(no4)c5ccccc5.Cl R701202 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)Cl)c4cc(no4)c5ccccc5.Cl R701250 Cc1ccc(cc1)c2cc(on2)[C@H]3[C@H](CC4CCC3N4C)c5ccc(cc5)Cl.Cl R701252 COc1nc(ccn1)c2n(cnc2c3ccc(cc3)F)[C@H]4CC[C@@H](CC4)O S154625 c1cc2c(nccc2C(=O)N[C@H]3CC[C@@H](CC3)CCN4Cc5c(cc(cc5)C#N)CC4)cc1 S154650 Cc1cccc(n1)c2c(nc([nH]2)C(C)(C)C)c3ccc4c(c3)nccn4 S154700 Cc1cccc2c1CC[C@@H](C[C@@H]2O)CN3CCC(CC3)c4c(cccc4Cl)Cl.Cl S154750 [2H]C1(CC(CC(N1C[C@H]2CCc3c(cccc3[C@H](C2)O)C)([2H])[2H])c4c(cccc4Cl)Cl)[2H].Cl S154752 c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)Cl S199800 c1ccc2c(c1)CN(c3cc(ccc3O2)Cl)C(=O)NNC(=O)CCc4ccncc4.Cl S199860 c1ccc2c(c1)CN(c3cc(ccc3O2)Cl)C(=O)NNC(=O)CCSCc4ccco4 S199880 COc1cc(c(cc1C(=O)NC[C@@H]2CCN3[C@H]2CCC3)Cl)N.Cl S199890 c1cscc1c2cc(c(s2)C(=O)N)N S199900 CN(CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O.Cl S199910 CS(=O)(=O)c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccc(cc3)F S199915 CN1CCc2cc(c(cc2[C@H](C1)c3ccccc3)O)Cl.Cl S199925 [2H]C([2H])([2H])N1CCc2cc(c(cc2[C@H](C1)c3ccccc3)O)Cl.Cl S199927 c1c(ccc(c1)O)[C@H]2N(C(=O)[C@@]23CC[C@@](CC3)(O)c4ccc(cc4)Cl)c5ccc(cc5)F S199950 [2H]c1c(c(c(c(c1[2H])Cl)[2H])[2H])[C@]2(CC[C@]3(C(=O)N([C@@H]3c4ccc(cc4)O)c5ccc(cc5)F)CC2)O S199952 c1ccc(cc1)COc2ccc(cc2)[C@H]3N(C(=O)[C@@]34CC[C@@](CC4)(O)c5ccc(cc5)Cl)c6ccc(cc6)F S199955 [2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)Cl)c4cc(no4)c5ccc(cc5)C.Cl R701300 C[C@H]1Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC R701500 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5cccc(c5c4)[N+](=O)[O-])O R701525 CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O.Cl R701527 [2H]C([2H])([2H])N(C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O)C([2H])([2H])[2H].Cl R701550 c1cc(c(c(c1)F)Cn2cc(nn2)C(=O)N)F R701552 [2H]C([2H])(c1c(cccc1F)F)n2cc(nn2)C(=O)[15NH2] R701553 Cc1cc(cnc1)CN2CCC(=C3c4ccc(cc4CCc5c3nccc5)Cl)CC2.C(=C/C(=O)O)\C(=O)O R701650 [2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1Cc5cc(cnc5)C)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O R701652 CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@@H](C(C)C)NC(=O)c3cc(on3)C R701690 CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C R701700 [2H]c1c(noc1C([2H])([2H])[2H])C(=O)N[C@@H](C(C)C)C(=O)C[C@@H](Cc2ccc(cc2)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)/C=C/C(=O)OCC R701702 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1 R701750 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O R701800 [2H]c1c(c(c(c(c1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)O)O)O)[2H])O)O)[2H] R701802 [2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])C(CC#N)n2cc(cn2)c3c4cc[nH]c4ncn3)[2H] R701998 c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4 R702000 [HH].c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4.OOP(=O)=O R702005 c1csc2c1C(=CCC2)c3cnc[nH]3.Cl R925000 COc1cc(c(cc1OC)NS(=O)(=O)c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCSCC4 S080500 CC(=O)Nc1ccc(cc1)CCN2C[C@@H]3COc4ccc(cc4[C@H]3C2)C#N S080700 CC(C)[C@]12CCC(=C)[C@H]1C2 S080750 CC(C)[C@@]12CCC(=C)[C@@H]1C2 S080755 c1ccc2c(c1)C(=O)NS2(=O)=O S080800 [13cH]1[13cH][13cH][13c]2[13c]([13cH]1)C(=O)NS2(=O)=O S080802 [2H]c1c(c(c2c(c1[2H])C(=O)NS2(=O)=O)[2H])[2H] S080803 CCOC(=O)CN1C(=O)c2ccccc2S1(=O)=O S080820 CC(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O S080830 c1cc(ccc1CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCCN)O)O)[N+](=O)[O-] S081000 CN[C@H]1CC[C@H](CC1)N(C(=O)c2sc3c(c2Cl)cccc3)Cc4cc(ccc4)c5ccncc5 S083600 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O S085200 CC(C)(C)NCC(=O)c1ccc(c(c1)CO)O.Cl S085500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)c1ccc(c(c1)CO)O.Cl S085502 c1cc(c(cc1)O)/C=N/N=C/c2c(cccc2)O S087500 c1ccc(c(c1)C(=O)N)O S088090 c1ccn(c(=N)c1)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O S088100 c1cc(ccc1C(=O)O)O S088120 c1ccc(c(c1)C(=O)O)O S088125 [2H]c1c(c(c(c(c1[2H])C(=O)O)O)[2H])[2H] S088127 [13cH]1[13cH][13cH][13c]([13c]([13cH]1)C(=O)O)O S088128 c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O S088130 c1ccc(c(c1)C(=O)NO)O S088400 c1ccc2c(c1)cc(c(=O)o2)/N=C/c3ccccc3O S088500 CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O S088800 CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF.c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)O)O S090050 c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)O)O.c1ccc2c(c1)ccc(c2O)C(=O)O S090100 [2H]C([2H])(c1cc(ccc1O)C([2H])(CNCCCCCCOCCCCc2ccccc2)O)O S090103 c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)Cc3cc(c(c4c3cccc4)O)C(=O)O)O)O S090110 c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)O)CN(CCCCCCOCCCCc3ccccc3)CC(c4ccc(c(c4)CO)O)O)O S090115 c1ccc(c(c1)C(=O)Oc2ccccc2C(=O)O)O S095700 CC1c2cc(c(cc2CCN1)O)O.Br S099995 CC1c2cc(c(cc2CCN1)O)O.[Cl] S100000 c1c(c(cc(c1S(=O)(=O)N)Cl)N)C(=O)O S100500 c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2/C=C/c3ccc(c(c3)O)O)O)O)O)O S100800 c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2[C@@H]([C@H](O3)c4ccc(c(c4)O)O)C(=O)O[C@H](Cc5ccc(c(c5)O)O)C(=O)O)O)O)O S100820 CC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)c4ccoc4)C)C(=O)OC S100900 CC(=CC(=O)O[C@@H]1[C@H](c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C)C S111500 [2H]C([2H])([2H])N([C@H]1[C@@H]2C[C@@H]3Cc4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)C([2H])([2H])[2H].Cl S111502 [2H]C([2H])([2H])N([C@@H]1[C@@H]2C[C@@H]3Cc4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)C([2H])([2H])[2H] S111507 C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6.[Cl-] S112500 Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4 S115000 COc1cc(ccc1C(=O)/C=C/c2ccc(c(c2)O)O)O S116500 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O.CS(=O)(=O)O S135000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O S135002 [2H]c1c(c(c2c(c1[2H])c(c(c(n2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O)[2H])[2H])[2H])[2H] S135003 CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl S139350 c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)N4CCNCC4)C(=O)O)F.Cl S139500 CNCC(=O)O S140500 [2H]C([2H])([2H])NCC(=O)O S140502 CCCCC/C=C/C=C/C(=O)N1CCCC1 S141600 [2H]C1(C(C(N(C1([2H])[2H])C(=O)/C=C/C=C/CCCCC)([2H])[2H])([2H])[2H])[2H] S141602 CN(C)CC(COc1ccccc1CCc2cccc(c2)OC)OC(=O)CCC(=O)O.Cl S142300 C1[C@@H]2C[C@@H]2N([C@H]1C#N)C(=O)[C@H]([C@@]34C[C@H]5C[C@@H](C3)C[C@](C5)(C4)O)N S143500 C1[C@@H]2C[C@@]3(C[C@H]1C[C@](C2)(C3)O)[13C@@H]([13C](=O)N4[C@H](C[C@H]5[C@@H]4[13CH2]5)C#N)N S143502 C1CN2C(=NC([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)N)N S143730 Cc1cc2c(cc1Cl)N(CC2)C(=O)Nc3ccc(nc3)Oc4cccnc4C S154450 c1cc(ccc1c2[nH]c(c(n2)c3ccncc3)c4ccc(cc4)F)O.Cl S154500 CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4ccc(cc4)F S154600 C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O S357100 CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O S357800 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)O S375000 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H](C([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O S382500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(C[C@@H](C([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O S382550 CC1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H](C([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O S397500 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H](C([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O S410000 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H](C([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC)NC(=O)C)O)O)O S410500 c1ccc(cc1)CCOCCCS(=O)(=O)CCNCCc2ccc(c3c2sc(=O)[nH]3)O S421800 CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)N(C)C.O.Cl S422500 [2H]C([2H])([2H])N(C(CC(C)C)C1(CCC1)c2ccc(cc2)Cl)C([2H])([2H])[2H] S422502 CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)[O-])C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)(C)C)CCCCS(=O)(=O)[O-])C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C.[Na+] S422800 COc1cc(ccc1O)[C@@H]2[C@H](Oc3cc(ccc3O2)[C@@H]4CC(=O)c5c(cc(cc5O4)O)O)CO S431000 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O S435000 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C S435001 C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4.OS(=O)(=O)O S679500 CC[C@@H]1CN2CCc3c4c(cccc4OC)[nH]c3[C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC S680100 C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@H]([C@@H]([C@H]([C@H]3O2)NC)O)NC)O)O S680250 C(CCNCCCN)CN S680400 C(CCN(CCCN)N(N=O)O)CNCCCN S680500 C(CCNCCCN)CNCCCN S680510 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O S681000 [2H]c1c(c(c(c(c1[2H])Cl)[2H])[2H])[C@]2(CC[C@]3(C(=O)N([C@@H]3c4ccc(cc4)OCc5ccccc5)c6ccc(cc6)F)CC2)O S199957 C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2c4ccc(=O)oc4)O)CCC5=C[C@H](CC[C@]35C)O S199960 CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O S199965 CN1C2CC(CC1C3C2O3)OC(=O)[C@H](CO)c4ccccc4.Br S200000 [2H]C([2H])([2H])N1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4.Br S200002 CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)c5ccccc5 S200010 COc1cc2ccc(=O)oc2cc1O S200500 COc1cc2ccc(=O)oc2cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O S200510 COc1ccc2c(c1O)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC S200800 COc1ccc2c(c1O)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC S200805 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCCC(=O)NO S201500 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O S201890 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O S201900 C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C S211500 [2H]C([2H])([2H])C([C@@H](CC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)O)(C([2H])([2H])[2H])O S211502 Cc1ncc(n1CC(C)O)[N+](=O)[O-] S225000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])n1c(ncc1[N+](=O)[O-])C)O S225002 CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C S235000 [2H]C([2H])([2H])C(CCC)C1(C(=O)NC(=O)NC1=O)CC=C S235002 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@]2([C@@H](/C=C\3/C[C@H](CCC3=C)O)O)O)C S238000 COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO S239500 COc1cc(ccc1O)C[C@H]([13CH2]O)[13C@@H](Cc2ccc(c(c2)OC)O)[13CH2]O S239502 [2H]c1c(c(c(c(c1C[C@H](CO)[C@H](Cc2c(c(c(c(c2[2H])OC)O)[2H])[2H])CO)[2H])OC)O)[2H] S239503 C1CCN2[C@@H]3CC4(C2C1)C(=CC(=O)O4)C=C3 S241000 C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3c[nH]c4c3cccc4)C(C)C)C(C)C S243000 CC[Se]CCC(C(=O)O)N S250000 Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO S254000 C[C@@H](C(=O)N[C@H]1c2ccccc2CCN(C1=O)C)NC(=O)[C@H](C(C)C)O S255600 C=CCN.C1C(O1)CCl S256000 [2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H].C=CCN S256002 C(=O)(N)NN.Cl S258200 [13C](=O)(N)[15NH][15NH2].Cl S258202 c1cc(cnc1)c2ccc(cc2)NC(=O)CCCCN3CCOCC3 S258600 c1cc2c(c(c1)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)C(=O)c4c(cc(cc4O)C(=O)[O-])C2C5c6cccc(c6C(=O)c7c5cc(cc7O)C(=O)[O-])O[C@H]8C([C@H]([C@@H](C(O8)CO)O)O)O.[Ca+2] S258800 CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)c2ccccc2)C S263000 C([C@H](C(=O)O)N)O S270975 Cc1ccc(cc1)S(=O)(=O)O.C1[C@@H](C(=O)O1)N S270985 COC(=O)C(CO)N S271000 COC(=O)[C@H](CO)N.Cl S271005 COC(=O)[C@@H](CO)N.Cl S271010 C([C@H]1C(=O)OC(=O)N1)O S271020 c1cc2c(cc1O)c(c[nH]2)CCN.Cl S274980 [2H]C([2H])(c1c[nH]c2c1cc(cc2)O)C([2H])([2H])N S274982 c1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c(c[nH]2)CCN S274990 [2H]C([2H])(c1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C([2H])([2H])N S274992 c1cc2c(cc1OS(=O)(=O)O)c(c[nH]2)CCN S275000 CS(=O)(=O)SCCOc1ccc2c(c1)C(C=N2)CCN.Cl S275005 CCC(C(C)CC(C)C(=O)CC)O S278000 c1cc2c(csc2c(c1)Cl)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] S278500 [2H]c1c(n(c(n1)[2H])C([2H])([2H])C([2H])(c2ccc(cc2Cl)Cl)OCc3csc4c3cccc4Cl)[2H] S278502 c1cc2c(csc2c(c1)Cl)CO[C@@H](Cn3ccnc3)c4ccc(cc4Cl)Cl S278505 [2H]c1c(n(c(n1)[2H])C([2H])([2H])[C@@]([2H])(c2ccc(cc2Cl)Cl)OCc3csc4c3cccc4Cl)[2H] S278507 c1cc2c(csc2c(c1)Cl)CO[C@H](Cn3ccnc3)c4ccc(cc4Cl)Cl S278510 c1cc(ccc1n2cc(c3c2ccc(c3)Cl)C4CCN(CC4)CCN5CCNC5=O)F S279500 [2H]C([2H])(C([2H])([2H])N1CCNC1=O)N2CCC(CC2)c3cn(c4c3cc(cc4)Cl)c5ccc(cc5)F S279502 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S279975 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl S279980 CN([C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O S279990 CN([C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O S279995 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S280000 [2H]C([2H])([2H])N[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S280002 [2H]C([2H])([2H])N[C@H]1CC[C@@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S280004 CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S280010 CN[C@H]1CC[C@@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl.Cl S280015 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)N(C)[C@H]2CC[C@H](c3c2cccc3)c4ccc(c(c4)Cl)Cl)C(=O)OC)OC(=O)C S280025 c1cc2c(cc1[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)c5ccc6c(c5)OCO6)OCO2 S280500 c1cc(c(cc1C2[C@H]3COC([C@H]3CO2)c4ccc5c(c4)OCO5)O)O S280515 c1cc2c(cc1O)OCO2 S280600 CN1CCC2=C(C1)c3ccccc3Cc4c2cccc4 S280800 [2H]C([2H])([2H])N1CCC2=C(C1)c3ccccc3Cc4c2cccc4 S280802 c1ccc(cc1)c2cc(sc2C(F)(F)F)c3nc(no3)c4cccc(c4)C(F)(F)F S282050 C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+] S357026 [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC S435002 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)S(=O)(=O)c5ccc(c(c5)c6[nH]c(=O)c7c(n6)c(nn7C)CCC)OCC)n(n1)C S435020 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CC[N+](CC4)(C)[O-])n(n1)C S435035 C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F S465000 [2H]C([2H])(C([2H])([2H])N1CCc2c1c(cc(c2)C[C@@H](C)NCCOc3ccccc3OCC(F)(F)F)C(=O)N)C([2H])([2H])O S465002 C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)NCCOc4ccccc4OCC(F)(F)F.[Na+] S465010 [2H]C([2H])(C([2H])([2H])N1CCc2c1c(cc(c2)C[C@@H](C)NCCOc3ccccc3OCC(F)(F)F)C(=O)N)C([2H])([2H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O.[Na+] S465012 COc1cc(ccc1O)C2C(Oc3ccc(cc3O2)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO S465850 [2H]c1c(c(c(c(c1[C@@H]2[C@H](Oc3ccc(cc3O2)[C@@H]4[C@H](C(=O)c5c(c(c(c(c5O4)[2H])O)[2H])O)O)CO)[2H])OC)O)[2H] S465852 CCNc1nc(nc(n1)Cl)NCC S465900 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C S485000 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C([2H])([2H])[2H] S485002 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)O)O)C S485005 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C[C@@H](C[C@@H](CC[C@H]4[C@H](C=CC5=C[C@@H](C[C@@H]([C@H]45)OC(=O)C(C)(C)CC)C)C)O)O)C S485010 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OC)O)O)C S485015 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[NH4+] S485020 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)C([2H])([2H])[2H].[NH4+] S485022 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[NH4+] S485025 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC(=O)c3ccc4ccc5cccc6c5c4c3cc6)O)O)C S485030 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC)O)O)C S485035 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](CC(=O)O3)OC)C S485045 C[C@@]1(CO[C@@H](C([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H](C(C2O)O[C@@H]3C(CC=C(O3)CN)N)N)N)O S487500 c1c2c(c(c(c1F)N3C[C@H](C4(C3)CC4)N)Cl)n(cc(c2=O)C(=O)O)[C@@H]5C[C@@H]5F S490920 c1c(c(cc(c1F)F)F)CC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N S490990 c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O S490995 [H].c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N.OOP(=O)=O S491000 [H].[2H]C1(C(N(Cc2n1c(nn2)C(F)(F)F)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)([2H])[2H])[2H].OOP(=O)=O S491002 c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)NS(=O)(=O)O S491005 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)N[C@H](Cc2cc(c(cc2F)F)F)CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)O)O)O S491010 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)N[C@H](Cc2cc(c(cc2F)F)F)CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)C(=O)OC)OC(=O)C S491020 [HH].c1c(c(cc(c1F)F)F)C[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N.OOP(=O)=O S491025 [HH].[2H]C1(C(N(Cc2n1c(nn2)C(F)(F)F)C(=O)C[C@H](Cc3cc(c(cc3F)F)F)N)([2H])[2H])[2H].OOP(=O)=O S491027 Cc1cc2c(cc1CC(=O)c3c(ccs3)S(=O)(=O)[N-]c4c(c(no4)C)Cl)OCO2.[Na+] S493500 Cc1cc2c(cc1CC(=O)c3c(ccs3)S(=O)(=O)[N-][13c]4[13c]([13c](no4)[13CH3])Cl)OCO2.[Na+] S493502 [2H]C([2H])([2H])C([2H])(C(CC)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] S495002 CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)C(C)C S497000 CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C S497050 [2H]C([2H])([2H])C([2H])(C(CC)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] S497052 CCCC(c1ccccc1)(c2ccccc2)C(=O)OCCN(CC)CC.Cl S550000 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)O)O)O)O)OC(=O)C)OC(=O)C S560000 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@]5(CC)O)O S589945 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O S589950 [2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O S589952 CCc1c2cc(ccc2nc-3c1Cn4c3cc(c(c4=O)CO)[C@@](CC)(C(=O)[O-])O)[O-].[Na+].[Na+] S589960 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O[C@H]6[C@@H]([C@H](C=C(O6)C(=O)O)O)O S589970 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O S589980 [2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O S589982 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C S589995 CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C S590000 CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3 S590100 [2H][13C]([2H])([2H])[13C](=O)[O-].[Na+] S610972 CC(=O)N1c2ccccc2CC1S(=O)(=O)[O-].[Na+] S611000 [15N-]=[15N+]=[15N-].[Na+] S612532 c1ccc(cc1)C(=O)SCCS(=O)(=O)[O-].[Na+] S614500 [2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)c1ccccc1.[Na+] S614502 [2H][B-]([2H])([2H])[2H].[Na+] S614902 [2H]C([2H])(C([2H])([2H])Br)S(=O)(=O)[O-].[Na+] S615152 [BH3-]C#N.[Na+] S615500 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+] S624090 CCN(CC)C(=S)[S-].[Na+] S624200 [2H]C([2H])([2H])C([2H])([2H])N(C(=S)[S-])C([2H])([2H])C([2H])([2H])[2H].[Na+] S624202 CCOS(=O)(=O)[O-].[Na+] S625300 [2H]C([2H])([2H])C([2H])([2H])OS(=O)(=O)[O-].[Na+] S625302 c1ccc(c(c1)/C(=N\O)/CS(=O)(=O)[O-])O.[Na+] S634500 O.[O-][PH2]=O.[Na+] S634700 c1ccc2c(c1)CC(N2)S(=O)(=O)[O-].[Na+] S637000 C[S-].[Na+] S644800 CS(=O)(=O)[S-].[Na+] S645000 CS(=O)(=O)SCCCCS(=O)(=O)[O-].[Na+] S671000 CS(=O)(=O)SCCS(=O)(=O)[O-].[Na+] S672000 CS(=O)(=O)SCCCCCS(=O)(=O)[O-].[Na+] S672500 CS(=O)(=O)SCCCS(=O)(=O)[O-].[Na+] S673000 C[C@]12CCC3[C@H](C1CCC2=O)CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C.[Na+] S673250 C(C(C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+] S673650 [BH-](OC(=O)C)(OC(=O)C)OC(=O)C.[Na+] S673752 [13C](=O)([13C](F)(F)F)[O-].[Na+] S674500 CCCC(CCC)C(=O)[O-].[Na+] S675500 CC(=CCOc1ccc(cc1)/C=C/C(=O)c2ccc(cc2OCC(=O)O)OCC=C(C)C)C S676500 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C S676520 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CBr)/C)/C)/C)/C)/C)/C)/C)/C)C S676550 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)C S676690 c1ccc(cc1)[C@H]2N(CCc3c2cccc3)C(=O)O[C@@H]4[C@H]5CC[N@@](C4)CC5.C(C(=O)O)CC(=O)O S676700 c1ccc(cc1)[C@H]2c3ccccc3CCN2C(=O)O[C@H]4CN5CCC4CC5.Cl S676701 c1ccc(cc1)[C@@H]2N(CCc3c2cccc3)C(=O)O[C@@H]4[C@H]5CC[N@@](C4)CC5.C(C(=O)O)CC(=O)O S676702 [2H]c1c(c(c(c(c1[2H])[2H])C2c3ccccc3CCN2C(=O)O[C@H]4CN5CCC4CC5)[2H])[2H].Cl S676705 c1ccc(cc1)[C@@H]2N(CCc3c2cccc3)C(=O)O[C@@H]4[C@H]5CC[N@@+](C4)(CC5)[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)C(=O)O S676710 c1ccc(cc1)[C@H]2c3ccccc3CCN2C(=O)O[C@H]4C[N+]5(CCC4CC5)[O-] S676750 CC(=O)O S676800 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl S676850 [2H]C([2H])([2H])NC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl S676852 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)N(c3ccc(c(c3)C(F)(F)F)Cl)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O S676855 CNC(=O)c1cc(cc[n+]1[O-])Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl S676870 CC(C)NCC(c1ccc(cc1)NS(=O)(=O)C)O S677300 [2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(c1ccc(cc1)NS(=O)(=O)C)O.Cl S677302 C[C@@H]1CN(C[C@@H](N1)C)c2c(c(c3c(c2F)n(cc(c3=O)C(=O)O)C4CC4)N)F S679250 [2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)O S681002 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O S681500 [2H][13C]([2H])([13C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)OP(=O)(O)O S681502 C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-] S688760 C(CC(=O)O)C(=O)O S688765 [13CH2]([13CH2][13C](=O)O)[13C](=O)O S688767 C(C[13C](=O)O)[13C](=O)O S688768 C1CC(=O)OC1=O S688770 [13CH2]1[13CH2][13C](=O)O[13C]1=O S688772 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C S688775 C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCC(=O)O S688785 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O S688790 c1nc(c(n1[C@H]2C([C@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-].[Ba+2].[Ba+2] S688795 COCCCC/C(=N\OCCNC(CC(=O)O)C(=O)O)/c1ccc(cc1)C(F)(F)F S688800 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N[C@H](CC(=O)O)C(=O)O S688825 CN(C[C@@H](c1cccc(c1)O)O)C(CC(=O)O)C(=O)O S688850 c1ccc(cc1)/N=N/c2c3ccccc3ccc2O S688885 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)S(=O)(=O)N S699055 COc1cc(nc(n1)OC)NS(=O)(=O)c2ccc(cc2)N S699060 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2cc(nc(n2)OC)OC)[2H] S699061 COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)N S699070 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2c(c(ncn2)OC)OC)[2H] S699071 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2nc(cc(n2)C)C)[2H] S699072 Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)N)C S699074 C(CC(=O)O)CS(=O)(=O)N S699075 [2H]c1c(c(c(c(c1NN)[2H])[2H])S(=O)(=O)N)[2H].Cl S699076 c1cc(ccc1NN)S(=O)(=O)N.Cl S699078 NS(=O)(=O)N S699079 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O S681700 c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F S682000 [2H]c1c(c(c(c(c1[2H])[2H])N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)[2H])[2H] S682002 C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C S682300 [2H]C([2H])([2H])N(C)[C@H]1CCC(O[C@@H]1C)O[C@H]2/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]([C@H](C[C@H]2C)CC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)O)N(C)C)O)OC)O)C S682302 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CC3(C[C@@H]2C(=O)O)SCCS3 S682500 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC4(CO4)C5=CC(=O)C=C[C@]35C S682960 C1[C@@H]2[C@]3(OC3)C[N@](C1)CC2.Cl S682980 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C S683000 [2H]C1=C2C[C@@]([C@H]3[C@@H]4CC[C@]5([C@]4(CC[C@@H]3[C@]2(CC(C1=O)([2H])[2H])C)C)CC(C(=O)O5)([2H])[2H])([2H])SC(=O)C S683002 CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C S683010 CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C S683500 CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C S683800 [2H]C([2H])([2H])C(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)C([2H])([2H])[2H] S683802 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C S684500 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8=O)N(C)C(=O)c9ccccc9)OC S684700 [2H]c1c(c(c(c(c1[2H])[2H])CN(C)[C@@H]2C[C@@H]3n4c5ccccc5c6c4c7c(c8ccccc8n7[C@]([C@@H]2OC)(O3)C)c9c6C(=O)NC9=O)[2H])[2H] S684702 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC S685000 Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)CO S685250 CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] S685700 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCCCCCC)[2H])[2H] S685702 CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O S686450 CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC S686460 CCCCCCCCCCCCCCCCC[13C](=O)O S686500 CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S686515 CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C S686525 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCl)O S686527 [2H][C@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)(C([2H])([2H])Cl)O S686530 CCCCCCCCCCCCCCCCCC(=O)OC(CO)CCl S686532 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CS)C(=O)O S686550 CCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O S686560 [2H][13C@@]([13C]([2H])([2H])O)([13C]([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)O S686562 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)O)O S686563 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O S686565 CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO S686570 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O S686585 [2H]C([2H])([C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCC)O S686587 COc1cc2c(cc1O)C3Cc4ccc(c(c4CN3CC2)OC)O S686600 COc1cc2c(cc1O)[C@@H]3Cc4ccc(c(c4CN3CC2)OC)O S686610 COc1ccc(c(c1)C(CN)O)OC S686650 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C S686680 CC1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C S686700 [2H]C([2H])([2H])C1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C S686702 COc1cc2c(c3c1c(=O)c4c(cccc4o3)O)[C@@H]5C=CO[C@@H]5O2 S686710 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)(C)C(=O)O[C@H]7C([C@H]([C@@H](C(O7)CO)O)O)O S686730 CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C S686750 C/C=C(\C)/C=C/C=C/[C@@H]([C@@H](C)[C@@H]([C@@H](C)CCc1c(c(=O)c2c(cc(c(c2o1)O)OC)OC)C)OC)OC S686780 CC(C)(C)C(/C=C/c1ccc2c(c1)OCO2)O S686825 [2H]C([2H])([2H])C(C(/C=C/c1ccc2c(c1)OCO2)O)(C([2H])([2H])[2H])C([2H])([2H])[2H] S686827 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)N)NC(=O)C)O)O)O S687000 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)NC(=O)C)NC(=O)C)O)O)O S687050 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=N)N)O)NC(=N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O S687500 C(c1c(c(sc1C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])C#N)C(=O)[O-].[Sr+2].[Sr+2] S687700 C(c1c(c(sc1C(=O)[O-])N([13CH2][13C](=O)[O-])[13CH2][13C](=O)[O-])C#N)C(=O)[O-].[Sr+2].[Sr+2] S687702 c1cc2c(c3c1CC4c5cc6c(cc5CCN4C3)OCO6)OCO2 S687740 [2H]/C=C\c1ccccc1 S687787 C=Cc1ccccc1 S687790 [2H]c1c(c(c(c(c1[2H])[2H])C=C)[2H])[2H] S687792 [2H]c1c(c(c(c(c1[2H])[2H])C(=C([2H])[2H])[2H])[2H])[2H] S687793 c1ccc(cc1)C2CO2 S687795 [2H]c1c(c(c(c(c1[2H])[2H])C2CO2)[2H])[2H] S687797 [2H]c1c(c(c(c(c1[2H])[2H])C2(C(O2)([2H])[2H])[2H])[2H])[2H] S687798 c1ccc(cc1)[C@@H]2CO2 S687800 [2H]c1c(c(c(c(c1[2H])[2H])[C@@H]2CO2)[2H])[2H] S687802 c1ccc(cc1)C(CO)O S687810 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])(C([2H])([2H])O)O)[2H])[2H] S687812 c1ccc(cc1)[C@H](CO)O S687815 c1ccc(cc1)[C@@H](CO)O S687820 Cc1c[nH]c(c1CCC(=O)O)/C=C\2/c3ccccc3NC2=O S688000 CCOC(=O)CCc1c(c[nH]c1/C=C\2/c3ccccc3NC2=O)C S688015 Cc1c[nH]c(c1CCC(=O)OCCO)/C=C\2/c3ccccc3NC2=O S688025 Cc1cc([nH]c1/C=C\2/c3cc(ccc3NC2=O)Cl)C S688035 c1ccc(cc1)NC(=O)CCCCCCC(=O)O S688650 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)CCCCCCC(=O)O)[2H])[2H] S688652 c1ccc(cc1)NC(=O)CCCCCCC(=O)NO S688700 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)CCCCCCC(=O)NO)[2H])[2H] S688702 c1ccc(cc1)NC(=O)CCCCCCC(=O)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O S688710 [2H]c1c(c(c(c(c1[2H])[2H])NC(=O)CCCCCCC(=O)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] S688712 C(CCCC(=O)NO)CCC(=O)NO S688750 [2H]c1c(c(c(c(c1[2H])[2H])/N=N/c2c3ccccc3ccc2O)[2H])[2H] S688887 c1ccc(cc1)/N=N/c2ccc(cc2)/N=N/c3c4ccccc4ccc3O S688900 [2H]c1c(c(c2c(c1[2H])c(c(c(c2/N=N/c3ccc(cc3)/N=N/c4ccccc4)O)[2H])[2H])[2H])[2H] S688902 Cc1ccccc1/N=N/c2ccc(c(c2)C)/N=N/c3c4ccccc4ccc3O S688920 [2H]c1c(c(c2c(c1[2H])c(c(c(c2/N=N/c3ccc(cc3C)/N=N/c4ccccc4C)O)[2H])[2H])[2H])[2H] S688922 COc1ccccc1/N=N/c2c3ccccc3ccc2O S688930 CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3nccs3 S688950 c1cc(ccc1N)S(=O)(=O)[N-]c2cncc(n2)Cl.O.[Na+] S688975 CCN(CC)C(=S)SCC(=C)Cl S688980 [2H]C([2H])([2H])C([2H])([2H])N(C(=S)SCC(=C)Cl)C([2H])([2H])C([2H])([2H])[2H] S688982 Cc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)N S689000 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2nccc(n2)C)[2H] S689002 Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C S689010 NS(=O)(=O)Cl S689025 c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N S689030 c1ccc2c(c1)ncc(n2)NS(=O)(=O)c3ccc(cc3)N S689035 c1ccc2c(c1)ncc(n2)NS(=O)(=O)c3ccc(cc3)N.[NaH] S689036 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2cnc3ccccc3n2)[2H] S689037 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-] S689040 [2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-])[2H] S689042 c1ccc2c(c1)NC(=O)c3cccc(c3O2)OS(=O)(=O)O S689045 CC(=O)NCCc1c[nH]c2c1cc(c(c2)OS(=O)(=O)[O-])OC.[Na+] S689050 [2H]C([2H])(c1c[nH]c2c1cc(c(c2)OS(=O)(=O)O)OC)C([2H])([2H])NC(=O)C S689052 c1ccc2c(c1)C(=O)Nc3ccc(cc3O2)OS(=O)(=O)O S689055 c1cc(ccc1N)S(=O)(=O)Nc2ccc(nn2)Cl S689060 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2ccc(nn2)Cl)[2H] S689062 C(CS(=O)(=O)O)SC(=N)N S689065 [2H]C([2H])(C([2H])([2H])S(=O)(=O)O)SC(=N)N S689067 C1CS(=O)(=O)CC1O S689070 c1cc(oc1COS(=O)(=O)[O-])C=O.[Na+] S689075 [13cH]1[13cH][13c](o[13c]1[13CH2]OS(=O)(=O)[O-])[13CH]=O.[Na+] S689077 c1ccc2c(c1)C(=O)Nc3c(cccc3OS(=O)(=O)O)O2 S689080 CCOP(=S)(OCC)OP(=S)(OCC)OCC S689085 c1cc(ccc1N)S(=O)(=O)O S689095 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)O)[2H] S689097 c1cc(ccc1N)S(=O)(=O)N S689100 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)N)[2H] S689102 CCN1CCC[C@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N S689140 [2H]C([2H])([2H])Oc1ccc(cc1C(=O)NC[C@@H]2CCCN2CC)S(=O)(=O)N S689142 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N S689145 C(C(C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+] S689170 CCCCCCCC/C=C\CCCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O S689200 Cc1nc(c(cn1)CN(/C(=C(\SS/C(=C(\N(C=O)Cc2c(nc(nc2)C)N)/C)/CCOC(=O)C(C)C)/CCOC(=O)C(C)C)/C)C=O)N S689250 CC1=NN(C(=O)C1C(C)(C(=O)O)S(=O)(=O)O)c2ccccc2 S689270 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC)COS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H](C([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O.[Na+] S689300 C1CC(=O)N(C1=O)OC(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3 S689500 C1CC(=O)N(C1=O)OC(=O)CCNC(=O)ON2C(=O)CCC2=O S689840 C1CC(=O)N(C1=O)OC(=O)CCNC(=O)ON2C(=O)CCC2=O.C1COCCO1 S689850 CC(=O)SCC(=O)ON1C(=O)CCC1=O S690010 CC(=O)SCCC(=O)ON1C(=O)CCC1=O S690095 c1cc(c(cc1N=[N+]=[N-])O)C(=O)ON2C(=O)CCC2=O S690130 C1CC(=O)N(C1=O)OC(=O)c2c(c(c(c(c2F)F)N=[N+]=[N-])F)F S690150 C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 S690250 C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 S690255 C1CC(=O)N(C1=O)OC(=O)CCNC(=O)CBr S690275 C1CC(=O)N(C1=O)OC(=O)CBr S690280 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)ON3C(=O)CCC3=O S690283 c1cc(ccc1C=O)C(=O)ON2C(=O)CCC2=O S690285 C1CC(=O)N(C1=O)OC(=O)CI S690290 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)NC(=O)CI S690300 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CCC3=O S690400 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)NCCCCCC(=O)ON3C(=O)CCC3=O S690425 c1cc(ccc1CCCC(=O)ON2C(=O)CCC2=O)N3C(=O)C=CC3=O S690460 C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCN2C(=O)C=CC2=O S690500 Cc1ccc(cc1[Sn](C)(C)C)C(=O)ON2C(=O)CCC2=O S690625 CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S690800 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S690950 CS(=O)(=O)SCCC(=O)ON1C(=O)CCC1=O S691250 CS(=O)(=O)SCCCCCCCC(=O)ON1C(=O)CCC1=O S691270 COc1cc(c(c(c1)OC)[P+](CC(=O)ON2C(=O)CCC2=O)(c3c(cc(cc3OC)OC)OC)c4c(cc(cc4OC)OC)OC)OC.[Br-] S691275 CS(=O)(=O)SCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S691285 CS(=O)(=O)SCCCCCC(=O)ON1C(=O)CCC1=O S691290 CS(=O)(=O)SCCCC(=O)ON1C(=O)CCC1=O S691300 CS(=O)(=O)SCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S691320 CCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S691400 c1ccnc(c1)SSCCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O S691800 CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O S691960 C[Sn](C)(C)c1cccc(c1)C(=O)ON2C(=O)CCC2=O S692025 CC(=O)CC(=O)CCC(=O)O S692060 [13CH3][13C](=O)[13CH2][13C](=O)[13CH2]CC(=O)O S692062 c1ccc(cc1)N(CCNC(=O)CCN2C(=O)C=CC2=O)C(=O)CCC(=O)N(CCNC(=O)CCN3C(=O)C=CC3=O)c4ccccc4 S692080 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-] S692100 [13CH3][N+]([13CH3])([13CH3])CCOC(=O)CCC(=O)OCC[N+]([13CH3])([13CH3])[13CH3].[Cl-].[Cl-] S692102 c1cc(ccc1C[C@@H](C(=O)O)NC(=O)CCC(=O)O)O S692150 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].OO.OO.OO.OO.OO.OO.OO.OO.[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2].[Al+2][Al+2] S692350 C([C@@H]1[C@@H](C([C@](O1)(CCl)O[C@@H]2C([C@H]([C@H](C(O2)CO)Cl)O)O)O)O)Cl S692500 [2H]C([2H])([C@@H]1[C@@H](C([C@](O1)(C([2H])([2H])Cl)O[C@H]2C([C@H]([C@H](C(O2)C([2H])([2H])O)Cl)O)O)O)O)Cl S692502 C([C@@H]1[C@@H](C([C@](O1)(CO)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O)O S697000 [2H]C([2H])([C@@H]1[C@@H](C([C@](O1)(C([2H])([2H])O)O[C@H]2C([C@H]([C@@H](C(O2)C([2H])([2H])O)O)O)O)O)O)O S697002 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O S697040 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])O.[K+].[K+].[K+].[K+].[K+].[K+].[K+] S698250 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)O.[K+].[K+].[K+].[K+].[K+].[K+] S698350 C[C@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)OC S698650 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-] S698990 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+] S699000 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] S699020 COC(=O)[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]2([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)C(=O)OC)O)O)O S699035 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3cccs3)COC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O S699040 [2H]C([2H])([2H])OCC1(CCN(CC1)CCc2cccs2)N(c3ccccc3)C(=O)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O S699042 COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N S699045 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2ncc(cn2)OC)[2H] S699047 c1c[n-]/c(=N/S(=O)(=O)c2ccc(cc2)N)/nc1.[Ag+] S699050 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2ncccn2)[2H] S699051 c1cnc(nc1)NS(=O)(=O)[13c]2[13cH][13cH][13c]([13cH][13cH]2)N S699052 c1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N S699054 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2ccccn2)[2H] S699082 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N S699083 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O S699084 [3H]C1CN2C[C@H]([C@H]([C@H]2[C@@H](C1[3H])O)O)O S885500 CNCC(c1ccc(cc1)O)O S920000 CNCC(c1ccc(cc1)O)O.Cl S920001 C[15NH][13CH2][13CH](c1ccc(cc1)O)O.Cl S920002 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C T002980 [2H]C([2H])([2H])N1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 T004532 CN1CC(=O)N2[C@@H](C1=O)CC(=O)c3ccccc3NC(=O)[C@H]2c4ccc5c(c4)OCO5 T004535 CN1CC(=O)N2[C@@H](C1=O)CC34c5ccccc5NC3([C@H]2c6ccc7c(c6)OCO7)O4 T004540 c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl T004750 C1[C@H]([C@@H](C([C@@](O1)(CO)O)O)O)O T004850 CCS(=O)(=O)c1cccc(c1)c2cc(c(c3c2c4cc(cnc4[nH]3)C)C)C(=O)NC5CCN(CC5)C T004920 [2H]C([2H])([2H])N1CCC(CC1)NC(=O)c2cc(c3c4cc(cnc4[nH]c3c2C)C)c5cccc(c5)S(=O)(=O)CC T004922 CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C T004975 [2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C(C)CC)[2H] T004977 CC(C)(C)NCC(COc1ccc(cc1)NC(=O)NC2CCCCC2)O T005000 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)NC(=O)NC2CCCCC2)O)NC(C)(C)C T005002 C=CCN1Cc2c(nc(s2)N)CCN1 T005500 C[C@@H]1CN([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F T005550 C#CCO[C@H]1CN2CCC1CC2 T005600 C#CCO[C@H]1CN2CCC1CC2.Cl T005601 CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N3CCC[C@H]3C(=O)N T005650 CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C T005800 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006000 CC/C(=C(/c1ccc(cc1)OCCN(C)C)\[13c]2[13cH][13cH][13cH][13cH][13cH]2)/c3ccccc3 T006002 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006005 C1=CC(=O)N(C1=O)CCS(=O)(=O)O S699085 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N S699086 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2cc(on2)C)[2H] S699087 [2H]c1c(c(nc(c1[2H])NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O)[2H])[2H] S699089 CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F S699090 c1cc(ccc1N)S(=O)(=O)Nc2nccs2 S699093 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2nccs2)[2H] S699094 c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)S(=O)(=O)[O-].[Na+] S699095 C[C@H]([C@@H](C(=O)N)N(C(=O)OCc1ccccc1)S(=O)(=O)O)OS(=O)(=O)C S699098 c1cc[n+](cc1)CCCS(=O)(=O)[O-] S699100 C[S@@](=O)CCCCN=C=S S699105 C[S@](=O)CCCCN=C=S S699110 CS(=O)CCCCN=C=S S699115 [2H]C([2H])(C([2H])([2H])C([2H])([2H])S(=O)C)C([2H])([2H])N=C=S S699117 CC(=O)N[C@H](CSC(=S)NCCCCS(=O)C)C(=O)O S699120 [2H]C([2H])(C([2H])([2H])C([2H])([2H])S(=O)C)C([2H])([2H])NC(=S)SCC(C(=O)O)NC(=O)C S699122 CCN(CC)c1ccc2c(c1)oc-3cc(=[N+](CC)CC)ccc3c2c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)NCCS S699125 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cccc(c3O)C(=O)O S699130 Cc1cc(no1)N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)S(=O)(=O)c3ccc(cc3)N S699135 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)N(c2cc(on2)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[2H] S699137 COc1ccc(nn1)NS(=O)(=O)c2ccc(cc2)N S699140 COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N S699145 [2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)Nc2cc(ncn2)OC)[2H] S699147 CCN(CC)c1ccc2c(c1)oc-3cc(=[N+](CC)CC)ccc3c2c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)NCCSS(=O)(=O)C S699150 CCOc1ccc(cc1C(=O)O)S(=O)(=O)c2ccc(c(c2)C(=O)O)OCC S699155 CCOc1ccc(cc1C(=O)OCC)S(=O)(=O)c2ccc(c(c2)C(=O)OCC)OCC S699160 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\[C@H]3C4=C(CC[C@@H](C4)O)CS3(=O)=O)C S699170 c1cc(c(cc1N=[N+]=[N-])O)C(=O)NCCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-].[Na+] S699175 CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C S699185 [2H]C1([C@@H]2N(C1=O)[C@H](C(S2(=O)=O)(C)C([2H])([2H])[2H])C(=O)[O-])[2H].[Na+] S699187 CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OCOC(=O)C(C)(C)C)C S699190 c1cc(cc(c1)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCSSCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NC(CO[C@@H]5[C@H](O[C@@H]([C@H]([C@H]5O)O)O)CO)CO[C@@H]6[C@H](O[C@@H]([C@H]([C@H]6O)O)O)CO.[Na+] S699200 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@](=O)C)F)CC(=O)O S699205 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)[S@@](=O)C)F)CC(=O)O S699210 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)C)F)CC(=O)O S699215 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)SC)F)CC(=O)O S699220 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)(=O)C)F)CC(=O)O S699225 C[C@H]1[C@H]([C@H](C([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H](C([C@H]([C@H](O3)CO)O)S(=O)(=O)OO)O)CO)OC)NC(=O)C)O)O)O S699250 C[C@H]1[C@H]([C@H](C([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H](C([C@H]([C@H](O3)CO)S(=O)(=O)OO)O)O)CO)OC)NC(=O)C)O)O)O S699300 Cc1cc(nc(n1)C)NS(=O)(=O)c2ccc(cc2)N.[NaH] S699375 c1c2c(cc(c1Cl)S(=O)(=O)NCO)S(=O)(=O)NCN2 S699385 CC(C)(C)OC(=O)NC(CSC(=S)NCCCCS(=O)C)C(=O)O S699395 CS(=O)CCCCNC(=S)SC[C@@H](C(=O)O)N S699410 CS(=O)CCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N S699430 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+] S699450 C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)S(=O)(=O)[O-].[Na+] S699500 c1cc(ccc1C(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CI.[Na+] S732000 CCN(CC)C(=S)SC(=S)N(CC)CC S733500 [2H]C([2H])([2H])C([2H])([2H])N(C(=S)SC(=S)N(CC)CC)C([2H])([2H])C([2H])([2H])[2H] S733502 C[C@@H]1CC2=C(CC[C@H](C2)OS(=O)(=O)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O S733700 C1CC(CCC1CN2C(=O)CCC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+] S735000 c1ccnc(c1)SSCCC(=O)NCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-].[Na+] S755000 C1C(C(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] S777500 c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N S789500 [2H]c1c(c(c(c(c1N2CCCCS2(=O)=O)[2H])[2H])S(=O)(=O)N)[2H] S789502 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC S790510 [2H]C([2H])([2H])C([2H])([2H])N1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC S790512 CN[C@H]1Cc2cccc3c2n(c(=O)[nH]3)C1.C(=C\C(=O)O)\C(=O)O S790700 [2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC)C([2H])([2H])[2H] S800097 CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CCN(C)C.C(CC(=O)O)C(=O)O S810000 [2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC)C([2H])([2H])[2H].C(CC(=O)O)C(=O)O S810002 CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC[N+](C)(C)[O-] S810010 [2H]C([2H])([2H])[N+](CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC)(C([2H])([2H])[2H])[O-] S810012 CNS(=O)(=O)Cc1ccc2c(c1)c(cn2Cc3ccc4c(c3)c(c[nH]4)CCN(C)C)CCN(C)C S810015 CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C.C([C@@H](C(=O)O)O)C(=O)O S820000 [2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)C([2H])([2H])C([2H])([2H])[2H] S820002 [2H]C([2H])(C([2H])([2H])N(CC)CC)NC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C S820003 c1cc(ccc1/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] S825000 CC(c1ccc(cc1)C(=O)c2cccs2)C(=O)O S840000 [2H]C([2H])([2H])C(c1ccc(cc1)C(=O)c2cccs2)C(=O)O S840002 CCOCC(COc1ccc(cc1)NC(=O)CC[S+](C)C)O.Cc1ccc(cc1)S(=O)(=O)[O-] S841000 C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O S885000 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO T003000 CO/N=C(/c1csc(n1)N)\C(=O)NCC=O T003100 CC(C)(C/C=C/C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NC)N T003500 CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)c5ccccc5N3)C(=O)OC T003900 CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C T004100 CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C T004120 CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 T004500 CN1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@@H]2c5ccc6c(c5)OCO6 T004505 [2H]C([2H])([2H])N1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@@H]2c5ccc6c(c5)OCO6 T004507 [2H]C([2H])([2H])N1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 T004510 CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@@H]2c5ccc6c(c5)OCO6 T004520 [2H]C([2H])([2H])N1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@@H]2c5ccc6c(c5)OCO6 T004522 CN1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 T004530 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006007 CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006010 C[14CH2]/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006050 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 T006077 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[N+](C)(C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)/c4ccccc4 T006085 [2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[N+](C)(C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 T006087 CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5 T015650 [2H]C1(C(C1([2H])[2H])NC(=O)C(=O)C(CCC)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5)[2H] T015652 CNC(=O)c1cc(ccn1)COc2c3c(c(nn2)Nc4ccc(cc4)Cl)C=CC3 T015700 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)OS(=O)(=O)O.CCN(CC)CC T155062 CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155065 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155067 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C T155070 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)OC(=O)CCC5CCCC5 T155100 COC(=O)COC(=O)CN(CCOCCN(CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC T155102 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T200000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C.Cl T225000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N)OC(=O)C)OC(=O)C.Cl T237495 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[N+](C)(C)[O-])/c3ccccc3 T006095 CC/C(=C(/c1ccc(cc1)OCCN(CCOc2ccc(cc2)/C(=C(\c3ccccc3)/CC)/c4ccccc4)C)\c5ccccc5)/c6ccccc6 T006100 CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC.Cl T006350 CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)S(=O)(=O)N)OC.Cl T006351 [2H]C([2H])([2H])C(Cc1ccc(c(c1)S(=O)(=O)N)OC)NCCOc2ccccc2OCC.Cl T006352 [2H]C([2H])([2H])[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)NCCOc2ccccc2OCC.Cl T006353 CCOc1ccccc1OCCN[C@@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC.Cl T006355 [2H]C([2H])([2H])[C@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)NCCOc2ccccc2OCC.Cl T006357 CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)O)OC T006360 [2H]C([2H])(C([2H])([2H])Oc1ccccc1OCC)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)O)OC T006362 c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)[C@@H]4[C@H](C3=O)C5CCC4C5 T006430 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)[C@@H]2[C@H](C1=O)C3CCC2C3)C([2H])([2H])N4CCN(CC4)c5ncccn5 T006432 CC(C)Oc1ccc(cc1)NC(=O)N2CCN(CC2)c3c4cc(c(cc4ncn3)OCCCN5CCCCC5)OC T006550 C.C[C@@](c1ccc2c(c1)nc(n2C)CNc3ccc(cc3)C(=N)N)(C(=O)N4CCCC4)NCC(=O)O T006750 c1ccc(cc1)SC[C@H](CC(=O)c2ccc(cc2)c3ccc(cc3)Cl)C(=O)O T006900 CC[C@@H](c1cccc(c1)O)[C@@H](C)CN(C)C.Cl T007200 [2H]C([2H])([2H])C([2H])([2H])[C@@H](c1cccc(c1)O)[C@@H](C)CN(C)C.Cl T007202 CC[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CN(C)C T007210 [2H]C([2H])([2H])C([2H])([2H])[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CN(C)C T007212 CC[C@@H](c1cccc(c1)O)[C@@H](C)C[N+](C)(C)[O-] T007215 [2H]C([2H])([2H])C([2H])([2H])[C@@H](c1cccc(c1)O)[C@@H](C)C[N+](C)(C)[O-] T007217 CC[C@@H](c1cccc(c1)OS(=O)(=O)O)[C@@H](C)CN(C)C T007220 [2H]C([2H])([2H])C([2H])([2H])[C@@H](c1cccc(c1)OS(=O)(=O)O)[C@@H](C)CN(C)C T007222 COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C.Cl T007500 CC(C)OC(=O)[C@@H]([C@H](C(=O)O)O)O T007650 c1cc(ccc1N=Nc2c(nn(c2O)c3ccc(cc3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] T007700 CN(C)CCc1cc(c2c3c1c(=O)oc4c3c(ccc4OC)c(=O)o2)OC T007800 C(CS(=O)(=O)O)N T007850 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C T007900 [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)[2H] T008125 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C T008130 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)([2H])[2H])O T008132 [2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)O)C)[2H] T008850 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[NaH] T008851 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C T009000 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)O)C)([2H])[2H])O T009002 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+] T009005 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])C1CC[C@@H]2[C@@]1(CCC3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C.[Na+] T009100 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3C2CC[C@]4([C@H]3CCC4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)C)([2H])[2H])O.[Na+] T009102 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+] T009200 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)([2H])[2H])O T009202 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O T010000 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O T010005 CCOC(=O)c1ccc(nc1)C#Cc2ccc3c(c2)C(CCS3)(C)C T010050 [2H]C([2H])([2H])C1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)OCC)C([2H])([2H])[2H] T010052 CC1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)O)C T010060 [2H]C([2H])([2H])C1(CCSc2c1cc(cc2)C#Cc3ccc(cn3)C(=O)O)C([2H])([2H])[2H] T010062 CC1(CCS(=O)c2c1cc(cc2)C#Cc3ccc(cn3)C(=O)O)C T010070 [2H]C([2H])([2H])C1(CCS(=O)c2c1cc(cc2)C#Cc3ccc(cn3)C(=O)O)C([2H])([2H])[2H] T010072 C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])Cn3ccnn3.[Na+] T010100 C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl T012500 [2H]C([2H])(C(=O)O)C([2H])([2H])P(C([2H])([2H])C([2H])([2H])C(=O)O)C([2H])([2H])C([2H])([2H])C(=O)O.Cl T012502 c1ccc(cc1)/C=C/c2ccnc(n2)N T012600 CC(C)(C(=O)N1CCN(CC1)c2ccc(c(c2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5)C(F)(F)F)O T012650 [2H]C1(C(N(C(C(N1c2ccc(c(c2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5)C(F)(F)F)([2H])[2H])([2H])[2H])C(=O)C(C)(C)O)([2H])[2H])[2H] T012652 C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O T012850 C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)OCOC(=O)C(C)(C)C)[C@@H]([C@@H](C)O)C(=O)OC T012860 C[C@@H]1[C@@H](NC(=C1SC2CN(C2)C3=NCCS3)C(=O)OCOC(=O)C(C)(C)C)[C@@H]([C@@H](C)O)C(=O)O T012870 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)OCOC(=O)C(C)(C)C)[C@@H](C)O T012900 CC(C)(C)C(CCc1ccc(cc1)Cl)(Cn2cncn2)O T013000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(CCc1ccc(cc1)Cl)(Cn2cncn2)O T013002 CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(cc(c2)C)C)C(C)(C)C T013200 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N(C(=O)c1cc(cc(c1)C)C)NC(=O)c2ccc(cc2)CC T013202 CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)C(C)(C)C)Cl T013500 CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C T013600 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OP(=S)(OCC)Oc1cnc(nc1)C(C)(C)C T013602 c1cc(c(c(c1)Cl)Cl)NC(=O)c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O T013700 c1c(c(=O)[nH]c(=O)n1C2CCCO2)F T013900 c1c(c(=O)[15nH][13c](=O)[15n]1C2CCCO2)F T013903 CCCCCNC(=N)N/N=C/c1c[nH]c2c1cc(cc2)OC.C(=C\C(=O)O)\C(=O)O T014500 CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O T015500 CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(c(c9O)CNCP(=O)(O)O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)C T015800 Cc1cn(c(=O)[nH]c1=O)[C@@H]2CC([C@@H](O2)CO)O T016000 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O T016002 CC[C@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C T016500 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C T017000 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C(=O)O)C T017002 [2H]c1c(c(c(c(c1Cn2c3cc(cc(c3nc2CCC)C)c4nc5ccccc5n4C([2H])([2H])[2H])[2H])[2H])c6ccccc6C(=O)O)[2H] T017003 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)c6nc7ccccc7n6C)C T017010 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C(=O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)C(=O)O)O)O)O)C T017012 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)N)c5nc6ccccc6n5C)C T017020 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5Cc7ccc(cc7)c8ccccc8C(=O)O)C T017025 CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)OC(C)(C)C)c5nc6ccccc6n5C)C T017030 [2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C(=O)OC(C)(C)C)C T017032 C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2c4ccc(=O)oc4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O T017060 CCOC(=O)C1=C(NC(=C(C1c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)CN(C)C)C T017100 [2H]C([2H])([2H])N(CC1=C(C(C(=C(N1)C)C(=O)OCC)c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C([2H])([2H])[2H] T017102 CN1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3)Cl T017200 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3)Cl T017202 CN1c2ccc(cc2C(=NC(C1=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)c4ccccc4)Cl T017210 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)OC2C(=O)N(c3ccc(cc3C(=N2)c4ccccc4)Cl)C)C(=O)OC)OC(=O)C T017220 CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)c3cccs3.Cl T017301 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)c3cccs3)[2H])[2H] T017302 c1ccc(cc1)CC[C@@H](C(=O)O)N[C@H]2CS[C@@H](CN(C2=O)CC(=O)O)c3cccs3 T017305 Cn1c(=O)n2cnc(c2nn1)C(=O)N T017775 [2H]C([2H])([2H])n1c(=O)n2cnc(c2nn1)C(=O)N T017777 Cn1c(=O)n2cnc(c2nn1)C(=O)O T017780 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC T017960 [2H]C([2H])([2H])C(CO)(CO)C(=O)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C T017962 [2H][13C]([2H])([2H])C(C(=O)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C)([13C]([2H])([2H])O)[13C]([2H])([2H])O T017963 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C5(COC(OC5)(C)C)C)C)/C)O)OC)C)C)/C)OC T017970 Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(nc3n2)OC T018250 COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3C(C5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4 T018400 [2H]C([2H])([2H])Oc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3C(C5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)c8cccs8)O)O)OCO4 T018402 c1cc(sc1)C2(CCCCC2)N3CCCCC3.Cl T018450 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2(CCCCC2)c3cccs3)([2H])[2H])([2H])[2H])[2H].Cl T018452 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)OC T018495 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O T018500 [2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1ncnc2N)OCP(=O)(O)O T018502 [2H]C([2H])([2H])[C@@H](C([2H])([2H])n1cnc2c1ncnc2N)OCP(=O)(O)O T018503 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O T018505 C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\C(=O)O T018506 C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)O T018510 C[C@H](Cn1cnc2c1ncnc2NCNc3c4c(ncn3)n(cn4)C[C@@H](C)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C T018515 C[C@H](Cn1cnc2c1ncnc2NC(=O)OC(C)C)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C T018520 CCN(CC)CC.C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O T018525 C[C@H](Cn1cnc2c1ncnc2NC(=O)OC(C)C)OCP(=O)(O)O T018535 C[C@H](Cn1cnc2c1ncnc2NC(=O)OC(C)C)OCP(=O)(OCc3ccccc3)OCc4ccccc4 T018545 CN1C(=C(c2c(ccs2)S1(=O)=O)O)C(=O)Nc3ccccn3 T019500 [2H]c1c(c(nc(c1[2H])NC(=O)C2=C(c3c(ccs3)S(=O)(=O)N2C)O)[2H])[2H] T019502 CC[C@H](C)[C@H]1C(=C(C(=O)N1)C(=O)C)O T019620 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O T020000 C[C@H]([C@@H](C(=O)O)N)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C T020020 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O T020050 CN(C(=O)CCc1cc(n(n1)c2ccc(cc2)OC)c3ccc(cc3)Cl)O T103250 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C T103500 COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4CCCO4.Cl T105000 CC(C)(C)C#C/C=C\CN(C)Cc1cccc2c1cccc2.Cl T107490 CC(C)(C)C#C/C=C/CN(C)Cc1cccc2c1cccc2.Cl T107500 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CN(C)C/C=C/C#CC(C)(C)C)[2H])[2H].Cl T107502 CC(C)(C)C#C/C=C(/CN(C)Cc1cccc2c1cccc2)\C=C\CN(C)Cc3cccc4c3cccc4 T107510 CC(C)(C)NCC(c1cc(cc(c1)O)O)O T109750 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(cc(c1)O)O)O T109752 CC(C)(C)NCC(c1cc(cc(c1)OCc2ccccc2)OCc3ccccc3)O T109760 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(cc(c1)OCc2ccccc2)OCc3ccccc3)O T109762 CCNc1nc(nc(n1)SC)NC(C)(C)C T109950 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)SC)NCC T109952 CCNc1nc(nc(n1)Cl)NC(C)(C)C T110500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)Cl)NCC T110502 c1cc(ccc1C=O)C=O T111000 c1cc(ccc1C(=O)O)C(=O)O T112500 [13cH]1[13cH][13c]([13cH][13cH][13c]1[13C](=O)O)[13C](=O)O T112502 CC(C)(C)c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O T114500 c1c(ccc(c1)/C=N/C2C(=O)NOC2)/C=N/C3C(=O)NOC3 T115500 [2H]C1(O[15NH]C(=O)C1(/N=C/c2ccc(cc2)/C=N/C3(C(O[15NH]C3=O)([2H])[2H])[2H])[2H])[2H] T115502 c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N T115800 Cc1ncc(n1CCCO)[N+](=O)[O-].Cl T116500 [2H]C([2H])(C([2H])([2H])n1c(ncc1[N+](=O)[O-])C)C([2H])([2H])O.Cl T116502 c1cc(ccc1c2ccc(cc2)C(=O)O)c3ccc(cc3)C(=O)O T116700 CC1=CCC(CC1)(C(C)C)O T117500 [2H]C([2H])([2H])C([2H])(C1(CCC(=CC1)C)O)C([2H])([2H])[2H] T117502 C[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)OC T117550 CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O T136000 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C T154800 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C T155000 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)O T155002 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[13C](=O)CC[C@]34C T155003 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=[13CH][13C](=O)CC[C@]34C T155004 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C T155005 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4[C@@]3(C=CC(=O)C4)C T155010 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)c4ccccc4)CCC5=CC(=O)CC[C@]35C T155015 CC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(=C4)OC(=O)C)C)C T155020 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155025 [2H]C([2H])([2H])C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155027 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C=CC4=CC(=O)CC[C@]34C T155030 CC(C)C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155035 [2H]C([2H])([2H])C([2H])(C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C([2H])([2H])[2H] T155037 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=CC(=O)CC[C@]35C.[Na+] T155040 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+] T155042 CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155045 CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C T155050 [2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)OC(=O)CCCCCCCCCC T155052 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)C(=O)OC)OC(=O)C T155055 CCN(CC)CC.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=CC(=O)CC[C@]34C T155060 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C T237500 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)CO)O)O T237600 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)F T276500 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C T278125 CC(=O)O[C@H](CBr)[C@@H]([C@H]([C@@H](CBr)OC(=O)C)OC(=O)C)OC(=O)C T278350 CC(=O)O[C@@H]1[C@H](O[C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)COP(=O)(Oc2ccccc2)Oc3ccccc3 T278600 CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C T278750 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T278950 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O)O)O T279255 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C T279265 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C T279535 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3CO[C@H](O3)[C@H]([C@H]2O)O)OC(=O)C)OC(=O)C)OC(=O)C T279545 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]4[C@H]2OC(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C T279555 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C T279560 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)NCCSS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T279565 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br T279575 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C T279740 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C T280000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2COC(OC2)c3ccccc3)OC(=O)C)OC(=O)C)OC(=O)C T280200 CCOC(=S)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T280300 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T280450 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2cc(c(c(c2)O)C(=O)CCc3ccc(cc3)[N+](=O)[O-])O)OC(=O)C)OC(=O)C)OC(=O)C T280775 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](c2ccccc2)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C T280795 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccccc2C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C T281050 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC(=N)N)OC(=O)C)OC(=O)C)OC(=O)C.Br T281225 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C T281450 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C T282285 CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C T282325 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C T282335 CC(=O)OC[C@@H]1[C@H]([C@@H](C(=CO1)OC(=O)C)OC(=O)C)OC(=O)C T282450 CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)NC(=O)COC)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C T282520 [2H]C([2H])([2H])OCC(=O)Nc1c(c(c(c(c1I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)C(=O)NCC(COC(=O)C)OC(=O)C)I T282522 CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)NC(=O)C)O)NC(=O)C)NC(=O)C)O)O)O T282570 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C)(C)C#N)OC(=O)C)OC(=O)C)OC(=O)C T282625 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)O)OC(=O)C)OC(=O)C T282760 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)OC(=O)C)OC(=O)C)OC(=O)C T282775 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](OC([C@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T282800 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C T282825 CC(=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)O)O T282950 CC(=O)O[C@H]1[C@H]2[C@@H]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=S)O2 T282980 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C T283100 CC(=O)OC[C@@]1([C@H]([C@@H]([C@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C)O T283350 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@H](OC([C@@H]2OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C T283650 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T283790 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T283791 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C T283850 CC(=O)O[C@@H]1COC([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C T283910 c1(c(nc(nc1N)N)N)N.OS(=O)(=O)O T283940 C1CNCCN(CCCN(CCN(C1)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F T283955 CC(C)(C)OC(=O)CN1CCNCCN(CCNCC1)CC(=O)OC(C)(C)C T283990 CC(C)CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC T284000 [2H]C([2H])([2H])C(CC1CN2CCc3cc(c(cc3C2CC1=O)OC)OC)C([2H])([2H])[2H] T284002 C[C@H]1[C@@H](C([C@@H](C(O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284120 c1ccc(cc1)C(=O)O[C@H]2[C@@H](C(O[C@H](C2OC(=O)c3ccccc3)OC(=O)c4ccccc4)C(=O)O)OC(=O)c5ccccc5 T284140 c1ccc(cc1)C(=O)O[13C@H]2[13C@@H]([13CH](O[13C@H]([13CH]2OC(=O)c3ccccc3)OC(=O)c4ccccc4)[13C](=O)O)OC(=O)c5ccccc5 T284142 c1ccc(cc1)C(=O)OCC2[C@@H]([C@@H](C([C@@H](O2)O)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284150 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284160 c1ccc(cc1)C(=O)O[13C@H]2[13C@@H]([13CH]([13C@@H](O[13CH]2[13CH2]O)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284172 c1ccc(cc1)C(=O)OCC2[C@H]([C@@H](C([C@H](O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)O T284180 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284200 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284205 C[C@]1([C@@H]([C@H](O[C@H]1OC(=O)c2ccccc2)COC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T284220 c1ccc(cc1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)O T284280 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H](CN2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5.Cl T284800 CS(=O)(=O)OC[C@@H]([C@H]([C@@H]([C@@H](COCc1ccccc1)OS(=O)(=O)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 T284850 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(=O)O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T284950 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T285000 c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OC(=N)C(Cl)(Cl)Cl)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T285040 c1ccc(cc1)COC[C@H]([C@@H]([C@H]([C@@H](CO)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)O T286550 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T287000 c1ccc(cc1)COCC2[C@H]([C@@H](C([C@@H](O2)O)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 T289000 c1ccc(cc1)COP(=O)(OCc2ccccc2)OP(=O)(OCc3ccccc3)OCc4ccccc4 T289450 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCc3ccccc3)OCc4ccccc4)OP(=O)(OCc5ccccc5)OCc6ccccc6 T290250 c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br T291150 c12c(c(c(c(c1Br)Br)Br)Br)C(=O)OC2=O T291180 CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)C(=O)O.c1ccc(cc1)C(=O)[O-] T291230 CCCC[N+](CCCC)(CCCC)CCCC.[SH-] T291250 c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 T291325 c1c(cc(c2c1c3cc(cc(c3[nH]2)Br)Br)Br)Br T291330 CCCCNc1ccc(cc1)C(=O)OCCN(C)C.Cl T291335 [2H]C([2H])([2H])N(CCOC(=O)c1ccc(cc1)NCCCC)C([2H])([2H])[2H].Cl T291337 Cc1c(c(c(c(c1Cl)Cl)C)Cl)Cl T291350 CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl T291360 c12c(c(nc(n1)Cl)Cl)nc(nc2Cl)Cl T291365 c1c2c(cc(c1Cl)Cl)Oc3cc(c(cc3O2)Cl)Cl T291370 c1c2c3cc(c(cc3oc2cc(c1Cl)Cl)Cl)Cl T291375 c1c(c(c(c(c1Cl)Cl)Cl)O)Cl T291380 [13cH]1[13c]([13c]([13c]([13c]([13c]1Cl)Cl)Cl)O)Cl T291382 [13C](=[13C](Cl)Cl)(Cl)Cl T291387 c1c2cc(c(cc2cc(c1Cl)Cl)Cl)Cl T291390 c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)Cl T291395 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.Cl T291400 [2H]C([2H])([2H])N([C@H]1[C@@H]2C[C@H]3C(=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)C(=O)c4c(cccc4O)[C@@]3(C)O)C([2H])([2H])[2H] T291402 C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.Cl T291405 [2H]C([2H])([2H])N([C@@H]1[C@@H]2C[C@H]3C(=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)C(=O)c4c(cccc4O)[C@@]3(C)O)C([2H])([2H])[2H] T291407 CC/C=C/C=C\CCCCCCCCOC(=O)C T291410 C/C=C\C/C=C/CCCCCCCCO T291415 CCCCCCCC/C=C\CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C T291425 CN(CCCNC(=O)c1ccco1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl T291430 [2H]C([2H])([2H])N(CCCNC(=O)c1ccco1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl T291432 CCN(CC)CCSSCCN(CC)CC T291435 [13CH3]CN(C[13CH3])CCSSCCN(C[13CH3])C[13CH3] T291437 CCCCCCCCCCCCCC=O T291440 COc1cccc2c1CCC(C2)NCCc3cccs3.Cl T291450 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CBr T291490 [2H]C([2H])([2H])C(C#N)(c1cc(cc(c1)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])CBr)C([2H])([2H])[2H] T291492 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C(Br)Br T291495 C1(=O)OC(C(O1)(F)F)(F)F T292300 CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] T292500 CCCCCCCCCCCCCCSCC(=O)O T292625 [2H]C([2H])([2H])C([2H])([2H])OC(OC([2H])([2H])C([2H])([2H])[2H])(OC([2H])([2H])C([2H])([2H])[2H])OC([2H])([2H])C([2H])([2H])[2H] T292947 [2H]C(CC([2H])(OCC)OCC)(OCC)OCC T292955 CCOP(=O)(C(F)(F)P(=O)(OCC)OCC)OCC T292965 c1c(c(c(c(c1F)F)F)F)[N+](=O)[O-] T292970 CCOC(=O)CC(=O)c1cc(c(c(c1F)F)F)F T292975 COCCOCCOCCOCCOC T292995 [2H]C([2H])([2H])OCCOCCOCCOCCOC([2H])([2H])[2H] T292997 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H]4C[C@]5([C@H]3CC[C@@H]5C(=O)CO)C(O4)O)O T293000 c1ccc2c(c1)CNC(=O)CN2 T293010 c1ccc2c(c1)NCCC(=O)N2 T293015 c1ccc2c(c1)cc3ccc4c5c3c2CCC5CCC4=O T293040 c1c2c(cc3c1OCC3)OCC2 T293070 C[C@@H]([C@@H]([C@H]1CNc2c(c(=O)[nH]c(n2)N)N1)O)O.OS(=O)(=O)O T293175 C[C@@H]([C@@H]([C@H]1CNc2c(c(=O)[nH]c(n2)N)N1)O)O.OS(=O)(=O)O T293177 C.C[C@@H]([C@@H]([C@@H]1CNc2c(c(=O)[nH]c(n2)N)N1)O)O T293180 [2H]C([2H])([2H])[C@@H]([C@@H]([C@@H]1CNc2c(c(=O)[nH]c(n2)N)N1)O)O T293182 COc1cc2c(cc1OC)CN[C@H](C2)C(=O)O.Cl T293190 CCC(=O)Nc1nc2c(s1)C[C@H](CC2)NC(=O)CC T293195 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O T293200 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O T293202 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)(C)C)O T293210 CCCCCc1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[C@@H]4C=C(CC[C@H]4C(O2)(C)C)C(=O)O T293215 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)CO)(C)C)O T293225 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)CO)(C)C)O T293227 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C)(C)C)O T293240 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C)(C)C)O T293242 CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O T293245 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)C(=O)O)(C)C)O T293247 c1ccc2c(c1)c3c([nH]2)CNCC3 T293250 [2H][13C]1(c2c(c3ccccc3[nH]2)CCN1)[2H] T293252 c1ccc2c(c1)c3c([nH]2)C(NCC3)C(=O)O T293260 C[C@H](c1cccc2c1CCCC2)NCCCc3cccc(c3)C(F)(F)F.Cl T293265 c1cnc(c2c1CNCC2)N T294130 C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O T294135 [2H][C@]1(C(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@]4(C#C)O)C)([2H])[2H])O T294137 [2H]C1(C(OC2(OC1([2H])[2H])OC(C(C(O2)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H] T306002 CS(=O)(=O)SCCOCCOCCOCCOCCSS(=O)(=O)C T306250 CCOCCOCCOCCOCCSS(=O)(=O)C T306260 CC(C)(C)C(=O)OC[C@H]([C@H]1[C@@H]([C@H](C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O T306350 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO T306480 [2H]C([2H])(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C([2H])([2H])CCO T306482 C[Si](C)(C)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)NCCSS(=O)(=O)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C T306500 CN1c2ccc(cc2C(=NCC1=O)C3=CCCCC3)Cl T306800 [2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)C3=CCCCC3)Cl T306802 c1[nH]nnn1 T307500 c1ccc2c(c1)cnn3c2nnn3 T307800 c1ccc(c(c1)c2ccc(cc2)CO)c3[nH]nnn3 T308500 c1cc(c(cc1S(=O)(=O)NCCS)S(=O)(=O)[O-])C2=c3cc4c5=[N+](CCC4)CCCc5c3Oc6c2cc7c8c6CCCN8CCC7 T320025 c1cc(c(cc1S(=O)(=O)NCC#Cc2cn(c(=O)[nH]c2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)S(=O)(=O)[O-])C4=c5cc6c7=[N+](CCC6)CCCc7c5Oc8c4cc9c1c8CCCN1CCC9 T320100 CC(=C)C(=O)OCCNS(=O)(=O)c1ccc(c(c1)S(=O)(=O)[O-])C2=c3cc4c5=[N+](CCC4)CCCc5c3Oc6c2cc7c8c6CCCN8CCC7 T320160 CS(=O)(=O)SCCNS(=O)(=O)c1ccc(c(c1)S(=O)(=O)[O-])C2=c3cc4c5=[N+](CCC4)CCCc5c3Oc6c2cc7c8c6CCCN8CCC7 T320200 CC(C)c1ccc(nc1)S(=O)(=O)Nc2c(c(nc(n2)c3ccnc(c3)c4[nH]nnn4)OCCO)Oc5ccccc5OC T321500 [2H]C([2H])(C([2H])([2H])Oc1c(c(nc(n1)c2ccnc(c2)c3[nH]nnn3)NS(=O)(=O)c4ccc(cn4)C(C)C)Oc5ccccc5OC)O T321502 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O T293270 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O T293272 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O T293275 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O T293277 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O T293280 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C1([2H])[2H])CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)([2H])[2H])O T293282 c1ccc2c(c1)c3c([nH]2)CCCC3=O T293300 CC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)C T293320 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)O T293325 COc1ccccc1OCCNCC(COc2cccc3c2c4c([nH]3)CCCC4)O.COc1ccccc1OCCNCC(COc2cccc3c2c4c([nH]3)CCCC4)O T293350 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C)O T293355 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O T293360 CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O T293365 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O T293375 [2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)C([C@@H]1O)([2H])[2H])C)[2H] T293377 [2H][C@]12[C@@H](CC[C@H]3[C@@]1(CC[C@H](C3)O)C)[C@@H]4CC[C@@]([C@]4(C(C2=O)([2H])[2H])C)(C(=O)C([2H])([2H])O)O T293378 C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O T293380 COc1cc(ccc1O)CCC(=O)CC(=O)CCc2ccc(c(c2)OC)O T293385 [2H]C([2H])([2H])Oc1cc(ccc1O)CCC(=O)CC(=O)CCc2ccc(c(c2)OC([2H])([2H])[2H])O T293387 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3C2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)C)([2H])[2H])O T293392 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O T293395 [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC[C@@H]3C2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O T293397 c1ccc2c(c1)ccc3c2cc4ccc5c(c4n3)CCCC5 T293400 C[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O T293405 c1ccc-2c(c1)CCc3c2c-4c([nH]3)CCc5c4cccc5 T293420 COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)[N+](=O)[O-] T293430 C1C(C(=O)OC1=O)S(=O)(=O)[O-].[Na+] T293440 c1ccc(cc1)COC(=O)N[C@@H]2CCC(=O)OC2=O T293460 COc1ccc(c2c1CC3C(C2)O3)OC T293470 CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=O)CCC3(C)C T293480 CC1=C([C@@H](N(CC1)[C@H](C)c2ccccc2)Cc3ccc(cc3)O)C T293500 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2CNc3c(c(=O)nc([nH]3)N)N2 T293515 [2H]C1C(Nc2c([nH]c(nc2=O)N)N1)([2H])C([2H])([2H])Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O T293517 C1C[C@H](O[C@H]1C(=O)O)C(=O)O T293525 CN1Cc2ccc(cc2C(C1)O)O T293575 CN1Cc2c(cccc2O)C(C1)O T293580 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=NC(=NC(=O)C3N2)N T293585 Cc1ccc(cc1)S(=O)(=O)O.c1cc(ccc1C(=O)N[C@@H](CCCOO)C(=O)O)NC[C@H]2CNC3=NC(=NC(=O)C3N2)N T293590 CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O T293600 [2H]C([C@@]([C@]1([C@@]2([C@H]([C@H]3C(=C4C(=CC(=O)CC4)CC3)C=C2)CC1)CC)O)([2H])[2H])[2H] T293602 COc1ccc2c(c1)[C@H]([C@@H](CC2)NC(=O)CCl)O T293650 COc1ccc2c(c1)[C@@H]([C@H](CC2)NC(=O)CCl)O T293655 CC(C)OC1CC(C(=O)CO1)C(C)(C(=O)OC)O T293660 CCC(=O)N[C@@H]1CCc2ccc(cc2[C@H]1O)OC T293670 CCC(=O)N[C@H]1CCc2ccc(cc2[C@@H]1O)OC T293675 CCC(=O)NC1CCc2ccc(cc2C1O)OC T293680 CC1CC(n2c(=O)c3c([nH]cn3)nc2N1)O T293685 CC1CC(n2c(=O)[13c]3[13c]([nH]c[15n]3)nc2N1)O T293687 COc1cc(cc(c1OC)OC)C[C@H]2c3cc(c(cc3CC[N@+]2([13CH3])CCCO)OC)OC.[Cl-] T293692 COc1cc(cc(c1OC)OC)C[C@H]2c3cc(c(cc3CC[N@+]2([13CH3])CCCOS(=O)(=O)[O-])OC)OC T293697 c1cc2c(c3c1CCC3=O)CCO2 T293700 c1c2c(cc(c1[N+](=O)[O-])[N+](=O)[O-])C3CC2CN(C3)C(=O)C(F)(F)F T293705 c1cc2c(c\3c1CC/C3=C\CN)CCO2 T293710 c1cc2c(c3c1CC[C@H]3CCN)CCO2 T293720 c1cc2c(c3c1CCNC3)[nH]cn2.Cl T293730 c1cc2c(cc1O)C(CNC2)O.Cl T293740 c1cc2c(c(c1)O)CNCC2O.Cl T293745 c1ccc2c(c1)CC(NC2)C(=O)O T293750 c1ccc2c(c1)C[C@@H](NC2)C(=O)O T293755 c1ccc(cc1)COC(=O)[C@H]2Cc3ccccc3CN2.Cl T293760 c1ccc2c(c1)CC(NC2)CO T293785 c1cc2c(c(c1)O)CNCC2.Cl T293825 CC(=O)O.c1cc2c(c(c1)O)CCNC2 T293830 c1ccc2c(c1)CNCC2O T293835 c1cc2c(cc1O)CCCN2 T293840 C1CC2=C(CCC(=O)N2)C(=O)C1 T293845 CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1 T293850 CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1 T293851 COc1ccc2c(c1)CNCCS2 T293855 [2H]C([2H])([2H])N1CCSc2ccc(cc2C1)OC T293862 COc1ccc2c(c1)CC[C@@H]([C@@H]2c3ccc(cc3)O)c4ccccc4 T293865 CCCN[C@@H]1CCc2c(cccc2OC)C1.Cl T293870 CCCN[C@H]1CCc2c(cccc2OC)C1.Cl T293875 COc1ccc2c(c1)[nH]c3c2CCCC3 T293885 COc1cccc2c1c3c([nH]2)CCCC3 T293890 CC(C)[C@@H](C(=O)O)N1CCCNC1=O T293900 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)O)N1CCCNC1=O T293902 [2H]C([2H])([2H])n1c2ccccc2c3c1CCCC3=O T293922 Cc1cc2n(c(=O)c1C#N)CCC2=O T293950 CCCCCCCC[C@@H]1[C@@H](C(=C)C(=O)O1)C(=O)O T293960 CN1CCCc2c1ccc(c2)CO T293965 C[C@@]12[C@H]3C[C@@H]([C@@H]1C(=O)c4ccccc4C2=O)C=C3 T293980 [2H]c1c(c(c2c(c1[2H])C(=O)[C@]3([C@@H]4C[C@H]([C@@]3(C2=O)C([2H])([2H])[2H])C=C4)[2H])[2H])[2H] T293982 CSC1=NCN(CN1)Cc2ccccc2.I T293990 c1cc2c(c(c1)C(=O)O)CCCC2 T294100 c1ccc2c(c1)CCCC2C(=O)O T294105 c1ccc2c(c1)CCC[C@@H]2C(=O)O T294115 c1c[nH]c(=O)c2c1CNCC2 T294125 C[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O T294140 [2H][C@@]1(C(C[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@]4(C#C)O)C)([2H])[2H])O T294142 CC[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O T294150 CC[C@]12CC[C@@H]3[C@H]4CC[C@@H](C[C@H]4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O T294155 COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@H]3C2)OC)OC T294160 CC(C)(C)OC(=O)N1CCc2c(cc[nH]c2=O)C1 T294165 [2H]C1=C(C(C2C(C1([2H])[2H])C(=O)OC2=O)([2H])[2H])[2H] T294175 [2H]C1=C(C(C2C(C1([2H])[2H])C(=O)NC2=O)([2H])[2H])[2H] T294250 CCCNC1CCc2c(cccc2O)C1 T294450 CCCN[C@H]1CCc2c(cccc2O)C1 T294455 C1CC(COC1)O T294700 C1CCOC(C1)OCCOCCO T294750 CC(C)(C)OC(=O)[C@@H]1Cc2cc(c(cc2CN1)OC)OC T294770 CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)OC3CCCCO3)O[Si](C)(C)C(C)(C)C)(F)F T295050 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)OC3CCCCO3)O[Si](C)(C)C(C)(C)C)(F)F T295052 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)(C([2H])([2H])[2H])OC4CCCCO4 T295102 C1CCOC(C1)OCCO T295300 CCCCC(C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)OC2CCCCO2)(F)F T295380 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)OC2CCCCO2)(F)F T295382 C1CCOC(C1)OCCCC=O T295425 C1CCOC(C1)OCCCCO T295445 CC(=O)CCOC1CCCCO1 T295475 CCC(CCC(C)OC1CCCCO1)CO T295495 C[C@@H](CCC[C@@H](C)CCC/C(=C/COC1CCCCO1)/C)CCCC(C)C T295520 C1CNC=NC1 T295550 CC(C)[C@@H](C(=O)Cl)N1CCCNC1=O T295650 C[C@]12CCC(=O)C=C1CCC2=O T295660 c1ccc2c(c1)CCC[C@@H]2CN[C@@H]3CN4CCC3CC4 T295675 [2H][C@]1(CN2CCC1CC2)NC([2H])([2H])[C@H]3CCCc4c3cccc4 T295677 c1ccc2c(c1)ccc3c2C(=O)CCC3 T295685 c1ccc(cc1)[C@@H]2N3[C@@H](CCC3=O)CO2 T295690 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC T295700 c1cc2c(c3c1CCNC3)scn2 T295720 c1csc2c1CCNC2.Cl T295740 c1csc2c1CNCC2.Cl T295750 C1CNCC2=CC(=O)SC21.Cl T295780 c1cc2c(cc1S(=O)(=O)Cl)CN(CC2)C(=O)CC(F)(F)F T295790 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCc5c(ccs5)C4 T295795 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCC5C(=CC(=O)S5)C4 T295800 [2H]C([2H])([2H])C([C@@H](C)CS(=O)(=O)c1ccccc1)(C([2H])([2H])[2H])OC2CCCCO2 T295822 c1cc(c(c(c1N=Nc2cc(cc(c2O)S(=O)(=O)O)Cl)O)O)O T295880 c1ccc2c(c1)ncc(n2)C(C(C(CO)O)O)O T295950 c1c2c(cc(c1N)N)C3CC2CN(C3)C(=O)C(F)(F)F T295985 C[C@]12CC([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(/C(=N/O)/CO)O)O)CCC4=C/C(=N/O)/C=C[C@]34C)O T296030 C[C@]12CC([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(/C(=N/NC(=O)N)/CO)O)O)CCC4=C/C(=N/NC(=O)N)/C=C[C@]34C)O T296040 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O T296075 [2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@H]([C@@]([C@]4(C1([2H])[2H])C)(C(=O)C([2H])([2H])O)O)O)O T296077 [2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@H]([C@@]([C@]4(C1([2H])[2H])C)(C(=O)CO)O)O)O T296078 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O T296080 c1ccc2c(c1)CCCC2C3=NCCN3.Cl T296100 [2H]C1(C(N=C(N1)C2CCCc3c2cccc3)([2H])[2H])[2H].Cl T296102 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)N T296120 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O T296125 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C=O T296135 c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C=O T296137 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C(=O)O T296150 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)O T296160 c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)CC(C(=O)O)O T296162 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C(C(=O)O)O T296170 CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)Br)OC(C)C T296190 CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)OC(C)C T296225 CC(C)OP(=O)(C(F)(F)P(=O)(OC(C)C)OC(C)C)OC(C)C T296230 CC(C)OP(=O)(C(F)P(=O)(OC(C)C)OC(C)C)OC(C)C T296240 c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H](C(O2)N3C(=O)CCC3=O)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 T296380 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)[C@@H]([C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C T296400 C(CCl)N(CCCl)P(=O)(N(CCCl)CCCl)Cl T296420 COc1ccc(cc1)N(c2ccc(cc2)OC)c3ccc-4c(c3)C5(c6c4ccc(c6)N(c7ccc(cc7)OC)c8ccc(cc8)OC)c9cc(ccc9-c1c5cc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC)N(c1ccc(cc1)OC)c1ccc(cc1)OC T296450 c1ccnc(c1)CN(CCN(Cc2ccccn2)Cc3ccccn3)Cc4ccccn4 T296500 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)[C@@H](C(C)C(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C T296750 c1cc(ccc1C(c2ccc(cc2)O)C(c3ccc(cc3)O)c4ccc(cc4)O)O T298500 CC(C)[Si]1(OC[C@@H]2C([C@@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O[Si](O1)(C(C)C)C(C)C)C(C)C T298510 CC(C)[Si]1(OC[C@@H]2C([C@@H]([C@@H](O2)n3cnc4c3n[13c]([15nH]c4=O)[15NH2])O)O[Si](O1)(C(C)C)C(C)C)C(C)C T298512 c1cc(ncc1)/c/2c\3/nc(/c(c/4\[nH]/c(c(\c5n/c(c(\c6[nH]c2cc6)/c7ncccc7)/C=C5)/c8ncccc8)/cc4)/c9ncccc9)C=C3 T298540 c1ccc2c(c1)CCC(=O)C2 T298560 [13cH]1[13cH][13cH][13c]2[13c]([13cH]1)CCCC2=O T298582 COc1cc(cc(c1)OC)CCc2cc(cc(c2)OC)OC T298750 CC(C(C)(OC)OC)(OC)OC T298795 CC1(CC(C(N1O)(C)C)N)C T300125 Cc1cc(cc(c1)C(C)(C)C#N)C T300900 Cc1cc(cc(c1O)C)C(C)(C)c2cc(c(c(c2)C)O)C T300930 [2H]C([2H])([2H])C(c1cc(c(c(c1)C)O)C)(c2cc(c(c(c2)C)O)C)C([2H])([2H])[2H] T300932 CC1(CC(CC(N1)(C)C)Br)C.Br T300975 CC1(CC(CC(N1)(C)C)C#N)C T301250 CN(C)[C@H](CSSC[C@H](C(=O)O)N(C)C)C(=O)O T302000 CC(C)CC(C)(C#CC(C)(CC(C)C)O)O T302500 [2H]C([2H])([2H])C([2H])(CC(C)(C#CC(C)(CC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)O)C([2H])([2H])[2H] T302502 CC1(C=C(C(N1)(C)C)C(=O)O)C T302600 CC(C)[Si]1(OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(nc(n4)N5[Si](CC[Si]5(C)C)(C)C)OCc6ccccc6)nc3Br)O[Si](O1)(C(C)C)C(C)C)C(C)C T302825 C1CCC2(C1)CC(=O)NC(=O)C2 T302880 CCOC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C T303180 CCCCCN(C)CCC(O)(P(=O)(OC)OC)P(=O)(OC)OC T303300 Cc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N T303615 [2H]C([2H])([2H])C(C#N)(c1cc(cc(c1)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C)C([2H])([2H])[2H] T303617 CC(c1ccccc1)ON2C(CCCC2(C)C)(C)C T303750 CC1(CC(CNC1)(C)C)C T304220 CC1(CC(CC(N1)(C)C)C(=O)O)C.Cl T304250 CCOC(=O)C1CC(NC(C1)(C)C)(C)C.Cl T304260 CC1(CC(CC(N1O)(C)C)(C(=O)O)N)C T304500 CC1(CC2(CC(N1O)(C)C)C(=O)NC(=O)N2)C T304600 CC1(CC(CC(N1)(C)C)S)C.Cl T304610 [2H]C1(C(C(C(NC1(C)C)(C)C)([2H])[2H])([2H])S)[2H].Cl T304612 CC1(CC(CC(N1)(C)C)O)C T304625 CC1(CC(=O)CC(N1)(C)C)C T304630 CC(=C)C(=O)OC1CC(NC(C1)(C)C)(C)C T304640 Cc1c(n2c(c(c(=O)n2c1=O)C)C)C T304650 CC1(CC(C(N1)(C)C)C(=O)N)C T304720 CC1(C=C(C(N1)(C)C)C(=O)N)C T304750 CC(=O)NCCSS(=O)(=O)C.CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)N(C)C T305175 CC(=O)O.CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)N(C)C T305230 CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)C(=O)ON6C(=O)CCC6=O)N(C)C T305245 CC(=O)ON1C(=O)CCC1=O.CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)N(C)C T305250 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4cc(ccc4C(=O)O)C(=O)NCCN5C(=O)C=CC5=O)N(C)C T305255 CCOC(=O)c1ccc(cc1c2c3ccc(cc3[o+]c4c2ccc(c4)N(C)C)N(C)C)C(=O)NCCN5C(=O)C=CC5=O.OS(=O)(=O)O T305260 COP(=O)(C(Cc1cccnc1)(O)P(=O)(OC)OC)OC T305300 CN(C)C(=O)C(C(C(=O)N(C)C)O)O T305375 Cc1ccc(cc1)S(=O)(=O)OC2CC(N(C(C2)(C)C)O)(C)C T305400 CC(C)(C)OC(=O)CCNC(=O)C(C(=O)O)NC(=O)OC(C)(C)C T305525 CC1(CC(CC(N1O)(C)C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4)C T305600 c1ccc(cc1)C2CN3CCSC3=N2.Cl T305680 [2H]c1c(c(c(c(c1[2H])[2H])C2CN3CCSC3=N2)[2H])[2H].Cl T305682 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] T305775 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])Cc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] T305825 c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O T338850 [2H]c1c(c(c2c(c1[2H])C(=O)N(C2=O)C3CCC(=O)NC3=O)[2H])[2H] T338852 c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O T338855 c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O T338860 CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O T339250 c1c(cc(c(=O)c2c1c(cc(c2O)O)[C@@H]3[C@@H](Cc4c(cc(cc4O3)O)O)O)O)[C@@H]5[C@@H](Cc6c(cc(cc6O5)O)O)O T340200 CCNC(=O)CC[C@@H](C(=O)O)N T340500 CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@@H]1C5)OC)OC T342450 [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=CC=C3[C@@H]1C5)OC)OC T342452 [2H]C([2H])([2H])OC1=CC=C2[C@@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)OC T342453 CN1CC[C@]23CC(=O)C=CC2[C@@H]1Cc4c3c(c(cc4)OC)O T342500 COc1ccc2ccc3ccc(c(c3c2c1)O)OC T342525 CC(=O)Oc1c(ccc2c1c3cc(ccc3cc2)OC)OC T342530 [2H]C([2H])([2H])Oc1ccc2ccc3ccc(cc3c2c1OC(=O)C)OC T342532 C[N+](C)(CCOc1ccccc1)Cc2cccs2.c1cc(ccc1S(=O)(=O)[O-])Cl T343500 Cn1cnc2c1c(=O)[nH]c(=O)n2C T343800 [2H]C([2H])([2H])n1cnc2c1c(=O)[nH]c(=O)n2C([2H])([2H])[2H] T343802 CNc1c(nc[nH]1)C(=O)NC.Cl T343825 [2H]C([2H])([2H])Nc1c(nc[nH]1)C(=O)NC([2H])([2H])[2H].Cl T343827 Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 T343850 C[15n]1c2c(c(=O)[15n](c1=O)C)[nH][13cH]n2 T343852 [2H]C([2H])([2H])n1c2c(c(=O)n(c1=O)C([2H])([2H])[2H])[nH]cn2 T343853 Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O T343860 CCN(CC)C(C)C=C(c1cccs1)c2cccs2.Cl T343950 [2H]C([2H])([2H])C([2H])([2H])N(C(C)C=C(c1cccs1)c2cccs2)C([2H])([2H])C([2H])([2H])[2H].Cl T343952 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOC(=O)C.Cl.[Cl-] T344075 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOS(=O)(=O)[O-] T344085 Cc1ncc(c(n1)N)CNC(=S)SC(CCOC(=O)C)C(=O)C T344090 Cn1cnc(c1Sc2c3c(nc[nH]3)nc(n2)N)[N+](=O)[O-] T344120 c1ccc2c(c1)[nH]c(n2)c3cscn3 T344150 [2H]c1c(c(c2c(c1[2H])[nH]c(n2)c3cscn3)[2H])[2H] T344152 CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O T344155 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O T344160 [2H][C@]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])O)NC(=O)C(Cl)Cl T344162 CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C T344165 [2H]C([2H])([2H])C(CCC)C1(C(=O)NC(=S)NC1=O)CC=C T344167 c1cc2c(cc1C(=O)O)Sc3ccc(cc3S2)C(=O)O T344170 c1cc2c(cc1C(=O)O)Sc3cc(ccc3S2)C(=O)O T344175 CN\1COCN(/C1=N/[N+](=O)[O-])Cc2cnc(s2)Cl T344180 [2H]C1(N(/C(=N\[N+](=O)[O-])/N(C(O1)([2H])[2H])Cc2cnc(s2)Cl)C)[2H] T344182 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO.Cl.[Cl-] T344185 [2H]C([2H])([2H])c1ncc(c(n1)N)C[n+]2csc(c2C)CCO.Cl.[Cl-] T344187 Cc1ncc(c(n1)N)C[n+]2cs[13c]([13c]2[13CH3])CCO.Cl.[Cl-] T344188 C1CC(CSC1)C(CC(=O)O)CC(=O)O T344190 c1c(ncs1)C(=O)O T344195 c1c(scn1)CO T344200 c1n[13cH][13c](s1)[13CH2]O T344202 C1[C@H](NCS1)C(=O)O T344205 CS(=O)(=O)c1ccc(cc1)[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O T344210 [2H][C@@]([C@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])O)NC(=O)C(Cl)Cl T344212 c1csc(n1)S(=O)(=O)Cl T344225 CCOC(=O)N1CSCC1C(=O)O T344240 C1C(=O)NC(=O)S1 T344250 c1ccc(cc1)NC(=O)Nc2cnns2 T344275 CC(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O T344290 c1cc(ccc1[N+](=O)[O-])OC(=O)OCc2cncs2 T344300 c1cc(ccc1[N+](=O)[O-])OC(=O)O[13CH2][13c]2[13cH]ncs2 T344302 c1ccc(cc1)CNC(=O)c2csc(n2)Cc3ccncn3 T344310 c1cncc2c1scc2 T344320 c1cc(sc1)C2CCN2.Cl T344330 c1cc(sc1)C2(CCCCC2)N3CCCC3.Cl T344340 [2H]C1(C(C(N(C1([2H])[2H])C2(CCCCC2)c3cccs3)([2H])[2H])([2H])[2H])[2H].Cl T344342 CCOC(=O)C(Cc1cccs1)C(=O)O T344345 c1cc(sc1)CC2CNC2 T344350 c1cscc1CC2CNC2 T344355 c1cc(sc1)C2CCCN2 T344360 CCCc1c2c(c(=S)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)n(n1)C T344365 c1c(nc(nc1O)S)O T344375 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O T344385 [2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O T344387 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)OC T344390 Cc1cc(ccc1O)SC#N T344400 c1cn(cn1)C(=S)n2ccnc2 T344410 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)S5)C T344425 [2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)S5)C)C)O T344427 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)O)SSC(Cc3ccc(cc3)OCCc4ccc(cn4)CC)C(=O)O T344440 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)OCC)S T344445 CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3cccs3)C(=O)OC T344450 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3cccs3)C(=O)OC T344452 CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)OCC)SSC(Cc3ccc(cc3)OCCc4ccc(cn4)CC)C(=O)OCC T344455 C([C@H]1[C@H]([C@H]([C@@H](C(S1)O)O)O)O)O T344465 CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)n(n1)C T344470 c1[nH]c2c(c(=S)n1)ncn2[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O T344500 c1cc2c(cc1S(=O)(=O)N3CCSCC3)C(=O)C(=O)N2 T344565 C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)sc2=O)O)O)O T344600 C/C(=N\OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/SC T344680 CCCC(C)C1(C(=O)NC(=S)NC1=O)CC T344800 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=S)NC1=O)C(C)CCC T344802 [2H]C([2H])([2H])N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C.C(=C/C(=O)O)\C(=O)O T344822 CS(=O)(=O)OCCc1cccs1 T344840 Cc1ccc(cc1)S(=O)(=O)OCCc2cccs2 T344860 c1cc(sc1)C(=O)CC#N T345250 CCC(=O)N(c1ccccc1)C2CCN(CC2)Cc3cccs3.Cl T345600 [2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)Cc3cccs3.Cl T345602 C1CCCSCC1 T346000 CCC(C)C1(C(=O)NC(=S)NC1=O)CC T348400 [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=S)NC1=O)C(C)CC T348402 C(C1[C@H]([C@@H](C([C@@H](O1)S[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O T349500 c1cn(c(=S)nc1N)[C@H]2C[C@H]([C@H](O2)CO)O T350050 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.[Na+] T350500 CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC(=O)C T350665 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.O.[Na+] T350700 c1ccc(cc1)SS[C@H]2[C@H](C([C@@H](C(O2)CO)O)O)O T350720 C(C1[C@H]([C@@H](C([C@@H](S1)O)O)O)O)O T350725 c1cnccc1C(=S)N T350800 CC(=O)Nc1c-2sscc2n(c1=O)C T350900 CN1CC[C@@H]([C@H]1c2cccnc2)CS T352500 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)SC T353500 [2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C2([2H])[2H])SC)CC[C@@]45CC(C(=O)O5)([2H])[2H])C)C T353502 c1c(s[nH]c1=O)CN T367000 [2H]C([2H])(c1cc(ns1)O)[15NH2].Cl T367002 c1ccc2c(c1)C(=O)C(=O)S2 T367690 c1ccc2c(c1)/C(=N/N)/C(=O)S2 T367720 CCCCCCCCCCCCCCCC(=O)S T368070 C(=S)(Cl)Cl T368200 c1ccc2c(c1)cn[nH]c2=S T368250 c1cc[nH]c(=S)c1 T368290 CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC.Cl T368800 [2H]C([2H])([2H])N1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC.Cl T368802 CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)C T368810 [2H]C([2H])([2H])N1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)S(=O)(=O)C T368812 CN1CCCCC1CCN2c3ccccc3S(=O)c4c2cc(cc4)SC T368815 [2H]C([2H])([2H])N1CCCCC1CCN2c3ccccc3S(=O)c4c2cc(cc4)SC T368817 c1ccc(cc1)CC(CS)C(=O)NCC(=O)O T369500 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(CS)C(=O)NCC(=O)O)[2H])[2H] T369502 COc1cccc(c1)C(=O)CSCC(Cc2ccccc2)C(=O)NCC(=O)O.C1CCC(CC1)NC2CCCCC2 T369520 [2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSCC(Cc2ccccc2)C(=O)NCC(=O)O T369522 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(CSCC(=O)c2cccc(c2)OC)C(=O)NCC(=O)O)[2H])[2H] T369523 CCOC(=O)CNC(=O)C(Cc1ccccc1)CSCC(=O)c2cccc(c2)OC T369525 CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C T371500 [2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=S)c4c(n3)c(nn4C)CCC)OCC T371502 C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S T375000 CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@]23CCC(=N[C@@H]2c4csc(n4)[C@H]([C@H](OC(=O)c5cc(c6c(n5)[C@H](C(N1)C=C6)O)[C@H](C)O)C)NC(=O)c7csc(n7)[C@@H](NC(=O)C8CSC(=N8)/C(=C/C)/NC(=O)[C@@H](NC(=O)c9csc3n9)[C@@H](C)O)[C@@](C)([C@@H](C)O)O)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C T375150 Cc1c(sc(=S)n1Cc2cnc(nc2N)C)CCO T375250 Cn1c(=S)[nH]c(=O)c(=O)[nH]1 T375300 Cc1ccc(c(c1)[C@H](CCN(C(C)C)C(C)C)c2ccccc2)O T535795 Cc1ccc(c(c1)[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)O T535796 Cc1ccc(c(c1)[C@H](CCN(C(C)C)C(C)C)c2ccccc2)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O T535800 [2H]C([2H])([2H])C(C)N(CCC(c1ccccc1)c2cc(ccc2O)C)C(C)C([2H])([2H])[2H].Cl T535803 Cc1ccc(cc1)S(=O)(=O)OCCCN(C)C(=O)OC(C)(C)C T535805 Cc1cc(ccc1Oc2ccc(cc2)SC(F)(F)F)n3c(=O)[nH]c(=O)n(c3=O)C T535850 c1cnc(nc1O)S T375400 [13C](=S)([15NH2])[15NH2] T375452 c12c([nH]c(n1)O)nc(nc2[S-])O.[Na+] T375500 c12[13c]([13c](nc(n1)O)[S-])n[13c]([nH]2)O.[Na+] T375502 c1cn(c(=S)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)CO)O)O T384000 c1cn(c(=O)[nH]c1=S)[C@H]2C([C@H]([C@H](O2)CO)O)O T384010 c1cc2c(cc1N)S(=O)(=O)c3cc(ccc3C2)N T385000 c1[nH]c2c(n1)c(=S)[nH]c(=O)[nH]2 T385800 C1C(NC(=S)S1)C(=O)O T395000 CN(C)C(=S)SSC(=S)N(C)C T395500 C[C@H]([C@@H]([13C](=O)O)N)O T405502 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)[O-])O.[K+] T405590 CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\CCCC(=O)O)O T405600 [2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@H]1[C@H](CC(O[C@@H]1/C=C/[C@H](CCCCC)O)O)O T405602 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])Oc3ccc(cc3)[N+](=O)[O-])OP(=O)([O-])Oc4ccc(cc4)[N+](=O)[O-].[Na+].[Na+] T409900 Cc1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)COP(=O)(O)[O-])OP(=O)(O)[O-].[Na+].[Na+] T410000 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O T410010 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O T412000 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O T412002 Cc1c[15n]([13c](=O)[15nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O T412003 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O T412007 C.Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O T412010 C.Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O.[Na+].[Na+] T412015 Cc1c[nH]c(=O)[nH]c1=O T412150 [2H]C([2H])([2H])c1c[nH]c(=O)[nH]c1=O T412152 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N T425600 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)[O-])N.[Na+] T425601 c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C[C@@H](C(=O)O)N T425602 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@H](C(=O)O)N T425605 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N T425610 CCOC(=O)[C@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)N T425620 COC(=O)[C@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)N T425625 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)I)I)C[C@@H](C(=O)O)N T425630 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)OS(=O)(=O)O)I)I)C[C@@H](C(=O)O)N T425635 C[C@H]1CC2=C([C@@H](O1)O)C(=O)c3c(cc(cc3O)O)C2=O T426500 Cc1ccsc1C(=CCCN2CCC[C@@H](C2)C(=O)O)c3c(ccs3)C.Cl T436400 [2H]C([2H])([2H])c1ccsc1C(=CCCN2CCC[C@@H](C2)C(=O)O)c3c(ccs3)C([2H])([2H])[2H].Cl T436403 CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@]23CC[C@@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O T436600 [2H]C([2H])([2H])C([2H])([2H])N(CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@]23CC[C@@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C)C([2H])([2H])C([2H])([2H])[2H].Cl T436602 C[C@H]1CC[C@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSCCN([13CH2][13CH3])[13CH2][13CH3])C.C(=C/C(=O)O)\C(=O)O T436603 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)[O-].[Na+] T436790 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)[O-].[Na+] T436795 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)O T436800 [2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C T436802 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)[O-].[Na+] T436805 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCC(=O)[O-].[Na+] T436810 [2H]C([2H])(CC(=O)[O-])C([2H])([2H])CNC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C.[Na+] T436812 CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCC(=O)OC T436815 [2H]C([2H])(CC(=O)OC)C([2H])([2H])CNC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C T436817 [2H]C([2H])(C(=O)OC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C T436822 c1c(nc(s1)[C@H]2C([C@H]([C@H](O2)CO)O)O)C(=O)N T437200 C[C@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437495 C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437500 [2H][13C]([2H])([2H])[C@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437502 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437505 [2H][13C]([2H])([2H])[C@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437507 C[C@@H]1CC2=C(CCC(C2)(OC)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O T437515 C[C@@H]1CC2=C(CCC3(C2)OCCO3)[C@@H]4[C@@H]1[C@@H]5CC[C@]([C@]5(CC4)C)(C#C)O T437530 [2H][13C]([2H])([2H])[C@H]1CC2=C(CCC3(C2)OCCO3)[C@@H]4[C@@H]1[C@@H]5CC[C@]([C@]5(CC4)C)(C#C)O T437532 CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4CC4c5ccc(c(c5)F)F T437700 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F T437702 [2H]c1c(c(c(c(c1[2H])CN2CCc3c(ccs3)C2)Cl)[2H])[2H] T438327 COc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)O)Cc3ccccc3Cl T438335 c1ccc(c(c1)C[N+]2(CCc3c(ccs3)C2)[O-])Cl T438340 [2H]c1c(c(c(c(c1[2H])C[N+]2(CCc3c(ccs3)C2)[O-])Cl)[2H])[2H] T438342 c1cc(sc1)C(=O)c2ccc(c(c2Cl)Cl)OCC(=O)O T438750 CN1c2ccccc2C(=NCC1CNC(=O)c3ccsc3)c4ccccc4F.Cl T439400 CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C T440015 CC(C)(C)NCC(=O)Nc1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)N(C)C T440020 C/C=C(\C)/C(=O)O T440050 [2H]C([2H])([2H])/C=C(\C)/C(=O)O T440052 C/C=C(\C)/C(=O)NCC(=O)O T440100 C/C=C(\C)/C(=O)NCC(=O)OC T440105 CCNC1(CCCCC1=O)c2cccs2 T440200 [2H]C([2H])([2H])C([2H])([2H])NC1(CCCCC1=O)c2cccs2.Cl T440202 CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2.Cl T440300 [2H]C([2H])([2H])N([C@@H]1C=CCC[C@]1(c2ccccc2)C(=O)OCC)C([2H])([2H])[2H].Cl T440302 CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C[C@@H](C[C@@H](C3)C)C)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC T440500 c1cc(ccc1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+] T441250 [2H]c1c(c(c(c(c1SC(P(=O)(O)[O-])P(=O)(O)[O-])[2H])[2H])Cl)[2H].[Na+].[Na+] T441252 c1ccc2c(c1)[nH]c(=S)n2C3CCN(CC3)CCCC(=O)c4ccc(cc4)F T443110 [2H]c1c(c(c2c(c1[2H])[nH]c(=S)n2C3CCN(CC3)CCCC(=O)c4ccc(cc4)F)[2H])[2H] T443112 CC(C)(C)NCC(COc1c(nsn1)N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O T443700 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1c(nsn1)N2CCOCC2)O)NC(C)(C)C.C(=C\C(=O)O)\C(=O)O T443702 CC(C)(C)NC[C@H](COc1c(nsn1)N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O T443705 CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O T443710 CCS(=O)(=O)CCn1c(ncc1[N+](=O)[O-])C T443900 [2H]C([2H])([2H])C([2H])([2H])S(=O)(=O)CCn1c(ncc1[N+](=O)[O-])C T443902 [H-].[H-].CC(=O)[O-].CC(=O)[O-].[Sn+4] T444080 C(=O)(C(=O)[O-])[O-].[Sn+2] T444090 [O-]P(=O)([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2] T444100 c1ccc2c(c1)c(c(c(=O)o2)C(CC(c3ccc(cc3)Cl)O)c4ccc(s4)Cl)O T444650 [2H]c1c(c(c(c(c1C(CC(c2ccc(s2)Cl)c3c(c4ccccc4oc3=O)O)O)[2H])[2H])Cl)[2H] T444652 c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl T444680 CC(C(=O)NCC(=O)O)S T444780 [2H]C([2H])([2H])C(C(=O)NCC(=O)O)S T444782 [2H]C([2H])([2H])C(C(=O)N[13CH2]C(=O)O)S T444783 c1ccc2c(c1)c(ns2)N3CCN(CC3)CCCCN4C(=O)CC5(CCCC5)CC4=O.Cl T444810 [2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4c5ccccc5sn4.Cl T444812 C[N+]1([C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C.[Br-] T444850 [2H][C@@]1(C([C@H]2[C@H]3[C@H](O3)[C@@H](C1([2H])[2H])[N+]2(C)C)([2H])[2H])OC(=O)C(c4cccs4)(c5cccs5)O.[Br-] T444853 Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)c(cc(=O)n4C)c5cccc(c5)Cl)N T444880 CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 T444900 [2H]C([2H])(C)C([2H])([2H])[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 T444902 CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCc5ccccc5 T444910 [2H]C([2H])(C)C([2H])([2H])[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCc5ccccc5 T444912 c1ccc2c(c1)c3ccsc3[nH]c2=O T445100 CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O.O.Cl T446750 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O.Cl T446752 CCCN(CCC)C(=O)C(Cc1ccc(cc1)OCCN(CC)CC)NC(=O)c2ccccc2.Cl T446900 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CS)O)C)O T447490 [2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CS)O T447492 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CSC(=O)C(C)(C)C)O)C)O T447500 [2H]C([2H])([2H])C(C(=O)SCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O)(C([2H])([2H])[2H])C([2H])([2H])[2H] T447502 c1cc(c(c2c1nsn2)NC3=NCCN3)Cl.Cl T449500 [2H]C1(C(N=C(N1)Nc2c(ccc3c2nsn3)Cl)([2H])[2H])[2H] T449502 c1ccc(c(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-])O T450100 [2H]c1c(c(c(c(c1[2H])C(=O)Nc2ncc(s2)[N+](=O)[O-])O)[2H])[2H] T450102 c1ccc(c(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] T450115 [2H]c1c(c(c(c(c1[2H])C(=O)Nc2ncc(s2)[N+](=O)[O-])O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O)[2H])[2H].[Na+] T450117 c1ccc(c(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-])OS(=O)(=O)O T450120 C1[C@H](C(C([C@@H](C1N)O[C@@H]2C(C[C@@H](C(O2)CN)O)N)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)N T524000 C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N T524002 Cc1c([nH]c(c1C(=O)NCCN2CCCC2)C)/C=C\3/c4cc(ccc4NC3=O)F T525500 [2H]C1(C(C(N(C1([2H])[2H])CCNC(=O)c2c(c([nH]c2C)/C=C\3/c4cc(ccc4NC3=O)F)C)([2H])[2H])([2H])[2H])[2H] T525502 Cc1c(c(c(c2c1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C T526075 Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C T526125 [2H]C([2H])([2H])c1c(c2c(c(c1O)C([2H])([2H])[2H])CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C T526127 Cc1cc(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O T526130 [2H]C([2H])([2H])c1c(cc(c2c1CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O T526132 Cc1c(c2c(cc1O)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C T526140 [2H]c1c2c(c(c(c1O)C([2H])([2H])[2H])C)O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C T526142 Cc1cc(cc2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O T526150 [2H]c1c(c2c(c(c1O)[2H])C(C(C(O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[2H])[2H])C T526152 Cc1cc(c(c2c1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O T526160 Cc1ccccc1C(c2ccccc2)OCCNC T528500 [2H]C([2H])(C([2H])([2H])OC(c1ccccc1)c2ccccc2C)NC T528502 CCc1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3 T528750 [2H]C([2H])([2H])C([2H])([2H])c1ccc(cc1)Cc2ccc3c(c2)[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC3 T528752 Cc1ccc(cc1)C(c2ccccc2)OCCN(C)C T530800 [2H]C([2H])([2H])N(CCOC(c1ccccc1)c2ccc(cc2)C)C([2H])([2H])[2H] T530802 Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C3=N[C@H]4CCN(C[C@H]4c5c3cc(c(c5)OC)OC)C T531000 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2 T534500 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[2H])S(=O)(=O)NC(=O)NN2CCCCCC2)[2H] T534502 c1ccc(cc1)CC2=NCCN2.Cl T535000 CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C T535150 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C T535152 Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] T535250 [2H]c1c(c(c(c(c1C)[2H])[2H])C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])[2H] T535252 Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)[N+](=O)[O-] T535260 c1ccc2c(c1)nc(s2)SCSC#N T535280 Cc1c(cccc1Cl)Nc2ccccc2C(=O)O T535300 [2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2cccc(c2C)Cl)[2H])[2H] T535302 Cc1c(cccc1Cl)Nc2ccccc2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O T535310 CCc1c(c(n(n1)C)C(=O)NCc2ccc(cc2)Oc3ccc(cc3)C)Cl T535325 Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O T535350 [2H]C([2H])([2H])n1c(ccc1C(=O)c2ccc(cc2)C)CC(=O)O T535352 [2H]C([2H])([2H])n1c(ccc1C(=O)c2ccc(cc2)C)CC(=O)OCC T535357 Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O T535360 Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)OCC=C)O)O)O T535370 Cc1cccc(c1)N(C)C(=S)Oc2ccc3ccccc3c2 T535400 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])OC(=S)N(C)c3cccc(c3)C)[2H])[2H])[2H] T535402 Cc1ccc(cc1)C(=O)C(C)CN2CCCCC2.Cl T535475 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)C)([2H])[2H])([2H])[2H])[2H].Cl T535477 CC(CN1CCCCC1)C(=O)c2ccc(cc2)C(=O)O.Cl T535485 [2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)C(=O)O)([2H])[2H])([2H])[2H])[2H].Cl T535487 [2H]C([2H])([2H])n1c(=O)[nH]c(=O)n(c1=O)c2ccc(c(c2)C)Oc3ccc(cc3)SC(F)(F)F T535852 Cc1cc(ccc1Oc2ccc(cc2)S(=O)C(F)(F)F)n3c(=O)[nH]c(=O)n(c3=O)C T535865 [2H]C([2H])([2H])n1c(=O)[nH]c(=O)n(c1=O)c2ccc(c(c2)C)Oc3ccc(cc3)S(=O)C(F)(F)F T535867 Cc1ccccc1S(=O)(=O)N T535880 Cc1ccc(cc1)S(=O)(=O)OC[C@H]2C[C@](OC2)(Cn3cncn3)c4ccc(cc4F)F T535900 Cc1ccc(cc1)S(=O)(=O)N/N=C\2/C=C3C[C@@H](CC[C@@]3([C@@H]4C2[C@@H]5CC[C@@H]([C@]5(CC4)C)[C@H](C)CCCC(C)C)C)OC(=O)C T535940 [2H]C([2H])([C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)c5ccc(cc5)C T536012 [13CH3]c1ccccc1[13C](=O)O T536122 Cc1ccccc1N T536205 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])N)[2H])[2H] T536207 C[13c]1[13cH][13cH][13cH][13cH][13c]1N T536208 Cc1ccc(cc1)N T536210 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[2H])N)[2H] T536212 Cc1ccc(cc1)NC(=O)C(F)(F)F T536280 Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CS(=O)c3[nH]c4ccc(cc4n3)OC T536500 Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CSc3[nH]c4ccc(cc4n3)OC T536550 [2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)SCc3c(c(c(cn3)COC(=O)c4ccccc4C)OC)C T536552 Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCC[C@H](c4c3ccc(c4)Cl)O T536640 Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCC[C@@H](c4c3ccc(c4)Cl)O T536645 Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCCC(c4c3ccc(c4)Cl)O T536650 [2H]c1c(c(c(c(c1[2H])C(=O)Nc2ccc(c(c2)C)C(=O)N3CCCC(c4c3ccc(c4)Cl)O)C([2H])([2H])[2H])[2H])[2H] T536652 Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)Nc3ccc(cc3C(CCC(=O)O)O)Cl T536660 Cc1ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)Nc3ccc(cc3C(=O)CCC(=O)O)Cl T536665 Cc1ccccc1c2ccc(c(c2)C)/N=N/c3ccccc3C T536680 Cc1ccc(cc1N=C=O)N=C=O T536710 Cc1ccc(cc1[15N]=C=O)[15N]=C=O T536712 Cc1ccc(cc1)[Hg+].[Cl-] T536750 Cc1ccc(cc1)C(C)C(=O)O T536780 Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N T536850 CN(C)C[C@@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl T712540 [2H]C([2H])([2H])N(C[C@@H]1CCCC[C@@]1(c2cccc(c2)OC)O)C([2H])([2H])[2H].Cl T712542 CN(C)C[C@H]1CCCC[C@]1(c2cccc(c2)OC)O.Cl T712550 [2H]C([2H])([2H])N(C[C@H]1CCCC[C@]1(c2cccc(c2)OC)O)C([2H])([2H])[2H].Cl T712552 C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1.Cl T538500 C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C)C(=O)N4CC[C@@H](C4)NC(=O)CNC(=N)N)C(=O)O)[C@@H](C)O T538550 CC(=O)c1ccc2c(c1)[C@@H]([C@@H](C(O2)(C)C)O)NC(=O)c3ccc(c(c3)Cl)F T539500 [2H]C([2H])([2H])C1([C@H]([C@H](c2cc(ccc2O1)C(=O)C)NC(=O)c3ccc(c(c3)Cl)F)O)C([2H])([2H])[2H] T539502 Cc1cc2c(cc1C(=O)C)C(CC(C2(C)C)C)(C)C T539800 Cc1c(c(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OC(=O)CCC(=O)O)C T539950 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C T540250 [2H]C([2H])([2H])C1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C([2H])([2H])[2H])C([2H])([2H])[2H])COS(=O)(=O)N)C([2H])([2H])[2H] T540252 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N=[N+]=[N-])C T540260 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CN(C)C)O)O.Cl T542500 [2H]C([2H])([2H])N(Cc1c(ccc2c1cc3c(n2)-c4cc5c(c(=O)n4C3)COC(=O)[C@@]5(CC)O)O)C([2H])([2H])[2H] T542502 [2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CN(C)C)O)O T542503 CC[C@](c1cc-2n(c(=O)c1CO)Cc3c2nc4ccc(c(c4c3)CN(C)C)O)(C(=O)[O-])O.[Na+] T542510 [2H]C([2H])([2H])N(Cc1c(ccc2c1cc3c(n2)-c4cc(c(c(=O)n4C3)CO)[C@@](CC)(C(=O)[O-])O)O)C([2H])([2H])[2H].[Na+] T542512 CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)OC T546500 CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O T547500 [2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3)C([2H])([2H])[2H].C(C(=O)O)C(CC(=O)O)(C(=O)O)O T547502 CCC(=O)N1CCN(CC1)c2ccc(cc2C(F)(F)F)n3c(=O)ccc4c3c5cc(ccc5nc4)c6cc7ccccc7nc6 T548700 Cc1cccc(c1)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C T548750 CC(C)(C)NCC(COc1cccc2c1SCCC2)O T548800 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1SCCC2)O T548802 CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)OC2CCCC2 T549000 [2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)OC2CCCC2)NC(=O)[C@H](CC(C)C)[C@@H](C(=O)NO)O)[2H])[2H] T549002 Cc1ccc(cc1)S(=O)(=O)O.c1cc(c(cc1F)F)n2cc(c(=O)c3c2nc(c(c3)F)N4CCC(C4)N)C(=O)O.O T549500 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2C([C@@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O T550100 B1(O[C@@H]2[C@@H](O[C@@H](C2O1)COS(=O)(=O)c3ccc(cc3)C)n4cnc5c4ncnc5N)c6ccccc6 T550140 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)O T550525 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)n2cc(c3c2cccc3)O T550575 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)Oc2c[nH]c3c2cccc3 T551000 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)Cc2ccccc2 T560000 [2H]C([2H])([2H])[C@@H](Cc1ccccc1)NS(=O)(=O)c2ccc(cc2)C T560002 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O T585000 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O T585005 Cc1ccc(cc1)S(=O)(=O)N2CC2 T585250 Cc1ccc(cc1)S(=O)(=O)NC(=O)OC T630200 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3cnc4c3ncnc4N)O)O T631500 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3ccc(nc3=O)N)O T631600 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O T631700 Cc1ccc(cc1)S(=O)(=O)N[C@H](CN)C(=O)O T632500 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CN)C(=O)O T632505 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]([C@H]2CCc3cc(ccc3O2)F)O T642000 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]([C@@H]2CCc3cc(ccc3O2)F)O T642005 Cc1ccc(cc1)S(=O)(=O)OC[C@H]([C@@H]2CCc3cc(ccc3O2)F)O T642010 Cc1ccc(cc1)S(=O)(=O)OC[C@H]([C@H]2CCc3cc(ccc3O2)F)O T642015 Cc1ccc(cc1)S(=O)(=O)N2CCC(C2)C(C#N)(c3ccccc3)c4ccccc4 T662000 Cc1ccc(cc1)S(=O)(=O)NCCN T662500 Cc1ccc(cc1)S(=O)(=O)OCC(CO)O T664000 [2H]C([2H])(C([2H])(C([2H])([2H])OS(=O)(=O)c1ccc(cc1)C)O)O T664002 Cc1ccc(cc1)S(=O)(=O)OCC(=O)O T664020 Cc1ccc(cc1)S(=O)(=O)OCC2COC(O2)(C)C T664975 [2H]C1(C(OC(O1)(C)C)([2H])C([2H])([2H])OS(=O)(=O)c2ccc(cc2)C)[2H] T664977 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O T664985 Cc1ccc(cc1)S(=O)(=O)OC[C@H]2C([C@@H]3[C@@](O2)(OC(O3)(C)C)CO)O T665000 Cc1ccc(cc1)S(=O)(=O)N2C[C@@H]2C T667000 Cc1ccc(cc1)S(=O)(=O)C[N+]#[C-] T667500 [2H]C([2H])([2H])Oc1c(c2c(c(c1C/C=C(\C)/CCC(=O)O)OS(=O)(=O)c3ccc(cc3)C)C(=O)OC2)C T670102 Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)C(=O)c3cccc4c3cccc4 T670250 Cc1ccc(cc1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)CC#N T683000 CC[C@@]1(C[C@H](C2([C@@H](CCC3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)COS(=O)(=O)c4ccc(cc4)C)C T683400 Cc1ccc(cc1)S(=O)(=O)OC[C@@H](CO)O T685000 Cc1ccc(cc1)S(=O)(=O)OC[C@H](CO)O T685500 Cc1ccc(cc1)S(=O)(=O)n2cccc2 T686100 Cc1ccc(cc1)S(=O)(=O)N2CCC(C2)O T686150 Cc1ccc(cc1)S(=O)(=O)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O T686170 Cc1ccc(cc1)S(=O)(=O)N2CCC(C2)OS(=O)(=O)c3ccc(cc3)C T686200 Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)C2 T686250 Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2C(C[C@@H](O2)n3cc(c(=O)[nH]c3=O)C)O T686500 Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)C(=O)O T686950 Cc1cc(n[nH]1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C T700000 Cc1cc2c(c(c1OC)O)C3C4[C@H]5c6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H](N4[C@H](C(C2)N3C)O)COC(=O)C8(CS5)c9cc(c(cc9CCN8)O)OC T703500 C1C[C@H]2[C@@H](CCN2C1)CO T704000 Cc1cc2c(cc1C(=O)C)C(C(C2(C)C)C)C(C)C T704500 c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4cccn4 T705100 [2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O)C([2H])([2H])[2H].Cl T712480 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl T712500 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O T712510 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl T712515 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl T712517 CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O T712520 CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O.Cl T712525 [2H]C([2H])([2H])N(C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O)C([2H])([2H])[2H].Cl T712527 C[N+](C)(C[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O)[O-] T712530 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O T713500 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O)[2H])[2H] T713502 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O T713510 CCOC(=O)[C@@H](CCc1ccccc1)N2[C@H](C(=O)N3[C@H]4CCCC[C@@H]4C[C@H]3C2=O)C T713515 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)N2[C@H](C(=O)N3[C@H]4CCCC[C@@H]4C[C@H]3C2=O)C)[2H])[2H] T713517 C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O.O T713520 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O)[2H])[2H] T713522 C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N[C@@H](CCc4ccccc4)C(=O)O T713525 C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)OC T713530 C[C@H]1C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)N1[C@H](CCc4ccccc4)C(=O)O T713535 [2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N2[C@H](C(=O)N3[C@H]4CCCC[C@@H]4C[C@H]3C2=O)C)[2H])[2H] T713537 C1[C@@H](CC[C@@H](C1)C(=O)O)CN T714500 CC(C)(C)OC(=O)N[C@@H](CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O T771650 C(#N)C(Br)(Br)Br T771700 c1c(cc(c(c1Br)N)Br)Br T771800 C[C@]12CC[C@@H]3c4cc(c(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)Br)Br)O)Br T772500 Cc1c(cc(c(c1Br)OC)Br)Br T772575 C([N+](=O)[O-])(Br)(Br)Br T772600 CCOC(=O)CP(=O)(OCC)OCC T777000 CC[Si](CC)(CC)O[C@H]1C[C@H]([C@]2(CO[C@H]3[C@H]2[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]3(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)C)OC(=O)C)C)O)O T777820 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3O)(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)C)OC(=O)C)C)OC(=O)C T777830 CCCCC(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)C)OC(=O)C)C T777840 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O)C)OC(=O)C)C)OC(=O)C T777925 CC[Si](CC)(CC)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)c5ccccc5)O T777930 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O)C)O)C)OC(=O)C T778000 CC[Si](CC)(CC)O[C@@H]1[C@@H](NC1=O)c2ccccc2 T778050 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O)C)OC(=O)C)C)OC(=O)C T778055 [2H]C([2H])([2H])C(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](CC)(CC)CC)(C([2H])([2H])CCC)O[Si](C)(C)C T778062 CCOC(=O)[C-](C(=O)OCC)C(=O)OCC.[Na+] T778250 COc1cc(nc(n1)NC(=O)[N-]S(=O)(=O)c2c(cccn2)OCC(F)(F)F)OC.[Na+] T779000 CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F T779200 [2H]C([2H])([2H])N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F T779202 C[N+]1(CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O T779210 C1[C@@H](CC[C@@H](C1)[13C](=O)O)[13CH2][15NH2] T714502 C1[C@@H](CC[C@H](C1)C(=O)O)CN T714505 C1[C@@H](CC[C@H](C1)[13C](=O)O)[13CH2][15NH2] T714507 C1[C@@H](CC[C@@H](C1)C(=O)O)CNC[C@H]2CC[C@H](CC2)C(=O)O T714515 COc1ccc(cc1OC)/C=C\C(=O)Nc2ccccc2C(=O)O T714560 COc1ccc(cc1OC)/C=C/C(=O)Nc2ccccc2C(=O)O T714565 COc1ccc(cc1OC)C=CC(=O)Nc2ccccc2C(=O)O T714570 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COc2cccc(c2)C(F)(F)F)O)O)O T715600 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](COc2cccc(c2)C(F)(F)F)O)O)O T715605 CC(C)OC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COc2cccc(c2)C(F)(F)F)O)O)O T715610 c1cc(cc(c1)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O)C(F)(F)F T715620 CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1[C@@H]2[C@H](O2)[C@H](COc3cccc(c3)C(F)(F)F)O)O)O T715625 c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4cccc(c4)Cl.Cl T718500 [2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4cccc(c4)Cl.Cl T718502 c1ccn2c(c1)nn(c2=O)CCC[N+]3(CCN(CC3)c4cccc(c4)Cl)[O-] T718510 c1ccn2c(c1)nn(c2=O)CCC[N+]3(CC[N+](CC3)(c4cccc(c4)Cl)[O-])[O-] T718515 COc1ccc(cc1OC)C=CCN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F T718800 [2H]C1(C(N(C(C(N1CC=Cc2ccc(c(c2)OC)OC)([2H])[2H])([2H])[2H])C(c3ccc(cc3)F)c4ccc(cc4)F)([2H])[2H])[2H] T718802 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O T718990 [2H]C1=C2C(=C3C=C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@H]4O)C)CC(C1=O)([2H])[2H] T718992 C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O T719000 [2H]C1=C2C(=C3C=C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@H]4O)C)CC(C1=O)([2H])[2H] T719002 CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C T719080 CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C T719120 CCCCC[C@@H](CC[C@@H]1[C@H]2Cc3cccc(c3C[C@H]2C[C@H]1O)OCC(=O)O)O T719500 CC(=O)CC(=O)CC(=O)O T720800 CC(=O)O[C@@H]1CN2[C@@H]([C@@H]1OC(=O)C)[C@H](C=CC2=O)OC(=O)C T721025 CC(=O)O[C@H]1CCC(=O)N2[C@H]1[C@@H]([C@@H](C2)OC(=O)C)OC(=O)C T721250 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OC(=O)C)OC(=O)C T733800 CC(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)OC(=O)C)OC(=O)C T733805 CC(=O)OCc1cc2c(c(c1)OC(=O)C)C(=O)c3c(cccc3OC(=O)C)C2=O T734000 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2OCC=C)OC(=O)C)OC(=O)C T734200 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N=[N+]=[N-])OC(=O)C)OC(=O)C T734300 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)CO)CO)O)O T735000 CC(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3Cl)OC(=O)C)OC(=O)C T736250 CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C T740000 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)N(C)C)OC(=O)C)OC(=O)C T741125 CC(=O)N[C@H](Cc1ccc(c(c1)OC(=O)C)OC(=O)C)C(=O)OC T743500 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]2[C@H](O1)OC(O2)(C)OC)OC(=O)C)OC(=O)C T764700 CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C T764800 CCOC1(O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C)C T765000 CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)O)C(=O)OC)OC(=O)C T765180 CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C T765200 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=N)C(Cl)(Cl)Cl)C(=O)OC)OC(=O)C T765205 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)N)OC(=O)C)OC(=O)C T765235 CC(=O)OCC1[C@H]([C@@H]([C@@H]2[C@H](O1)O[C@@](O2)(C)OC)OC(=O)C)OC(=O)C T765430 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc[nH]c3=O)OC(=O)C)OC(=O)C T765500 CC(=O)OC[C@@H]1[C@H](C2[C@@H]([C@H](O1)OC(=O)C)OC(=O)O2)OC(=O)C T766000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]2[C@@H](O1)OC(O2)(C)OC)OC(=O)C)OC(=O)C T767000 CC(=O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2cc(nc3Cl)Cl)OC(=O)C)OC(=O)C T767013 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T767014 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC(=N)C(Cl)(Cl)Cl)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T767015 CC(=O)O[C@@H]1COC([C@@H]([C@H]1OC(=O)C)OC(=O)C)O T767020 CC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl T767030 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO T767050 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN.Cl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c1nc(c(c(n1)N)N)N T767200 c1cc(nc(c1N)N)N T767215 C(#N)c1c(nc(nc1N)N)N T767220 c1nc(c(c(n1)N)N)N.O.OS(=O)(=O)O T767225 c1(c([nH]c(nc1=O)N)N)N.OS(=O)(=O)O T767240 c1(c(c(c(c(c1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-])N T767260 c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N T767325 [2H]c1c(c(c(c(c1[2H])[2H])c2c(nc3c(n2)c(nc(n3)N)N)N)[2H])[2H] T767327 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC T767335 C1N(CN(CN1CCO)CCO)CCO T767345 Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4Cl)Cl T767380 [2H]C([2H])([2H])c1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4Cl)Cl T767381 [2H]C1(c2nnc(n2-c3ccc(cc3C(=N1)c4ccccc4Cl)Cl)C([2H])([2H])[2H])[2H] T767382 [2H]C([2H])([2H])c1nnc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4Cl)Cl T767386 [2H]C1(c2nnc(n2-c3ccc(cc3C(=[N+]1[O-])c4ccccc4Cl)Cl)C([2H])([2H])[2H])[2H] T767387 c1cnn[nH]1 T767390 c1[nH]c(nn1)C(=O)O T767395 c1cc2c(cc1Cn3cncn3)c(c[nH]2)CC(=O)O T767400 [2H]c1c(c2c(c(c1C([2H])([2H])n3cncn3)[2H])c(c[nH]2)CC(=O)O)[2H] T767402 c1cc(cc(c1)n2cncn2)N T767450 c1cc(ccc1N)n2cncn2 T767455 c1ccc2c(c1)cnn3c2nnc3 T767500 c1ccn2c(c1)n[nH]c2=O T767505 c1ncn(n1)C[C@@H](C(=O)O)N T767515 [2H]c1nc(n(n1)CC(C(=O)O)[15NH2])[2H] T767517 CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cnnc6)c7ccc(cc7Cl)Cl T767525 c1cc(ccc1Cn2cncn2)N T767530 c1cc(ccc1Cn2cncn2)C#N T767560 c1c(c(n[nH]1)n2cnnc2)C(=O)N T767570 Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3ccc([15n][13c]3=O)n4cncn4)OC(=O)c5ccc(cc5)C T767582 [2H]C([2H])([2H])c1cn(c(=O)nc1n2cncn2)[C@H]3C[C@@H]([C@H](O3)COC(=O)c4ccc(cc4)C)OC(=O)c5ccc(cc5)C T767583 CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2 T767595 CC1C[C@@H](C([C@@H](O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767650 c1ccc(cc1)C(=O)OC[C@@H]2C(C[C@@H](O2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767660 CC1[C@@H]([C@@H](C([C@@H](O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)I T767685 c1ccc(cc1)C(=O)OC[C@@H]2C([C@@H]([C@@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T767842 CC1[C@H]([C@@H](C([C@@H](O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)O T767980 C[C@H]1[C@@H](C([C@@H](C(O1)O)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767983 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T767985 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767987 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767988 COC(=O)[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T767989 c1ccc(cc1)C(=O)OC[C@@H]2C([C@@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)OC(=O)c5ccccc5)OC(=O)c6ccccc6 T767990 COC(=O)[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767991 C[C@]1([C@@H]([C@H](OC1=O)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 T767992 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)OC(=O)c4ccccc4)OC(=O)c5ccccc5)OC(=O)c6ccccc6 T767993 CC(C)c1cccc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)C(C)C T767994 c1ccc(cc1)COCC2(C=CC(C(C2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O T767995 C=C[C@H]([C@H]([C@@H](C(COCc1ccccc1)(C=C)O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4.C=C[C@H]([C@H]([C@@H](C(COCc1ccccc1)(C=C)O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 T767997 C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 T768000 CC(=O)N(CCCP(=O)(OCc1ccccc1)OCc2ccccc2)OCc3ccccc3 T768400 CC1(O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O1)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OC T768850 CC1(O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OC T769000 CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)[N+](=O)[O-])N=[N+]=[N-])OC(=O)C)OC(=O)C T769025 C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 T770500 c1ccc(cc1)COC[C@@H]2[C@@H](C([C@@H](O2)O)OCc3ccccc3)OCc4ccccc4 T771350 COC(=O)c1ncn(n1)[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T771382 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=S)OC(=O)c4ccccc4)OC(=O)c5ccccc5 T771500 CC(=O)Oc1c(cc(cc1Br)Br)Br T772625 [2H]C([2H])([2H])C(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC T772952 CCCC[N+](CCCC)(CCCC)CCBr.[Br-] T773230 CCCC[N+](CCCC)(CCCC)CCSS(=O)(=O)C.[Br-] T773250 CCCC[N+](CCCC)(CCCC)CCCCCCSS(=O)(=O)C.[Br-] T773310 CCCC[N+](CCCC)(CCCC)CCCCCCCCBr.[Br-] T773335 CCCC[N+](CCCC)(CCCC)CCCCCCCCSS(=O)(=O)C.[Br-] T773340 CCCC[N+](CCCC)(CCCC)CCCSS(=O)(=O)C.[Br-] T773370 CCCCP(=O)(CCCC)CCCC T773560 CCCC[P+](CCCC)(CCCC)Cc1csc(n1)C T773775 CCCC[Sn](CCCC)(CCCC)C(=C)C(=O)OC T773785 CCCC[Sn](CCCC)(CCCC)c1cccc(c1)N T773800 c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl T773820 [13C](=O)([13C](Cl)(Cl)Cl)O T773837 [13C](=O)([13C](Cl)(Cl)Cl)Cl T773842 c1c(c(c(c(c1Cl)Cl)C#N)Cl)C#N T773850 c1c(c(=O)[nH]c(c1Cl)Cl)Cl T773860 [13cH]1[13c]([13c](=O)[nH][13c]([13c]1Cl)Cl)Cl T773862 c1c(c(=O)[nH]c(c1Cl)Cl)Cl T773870 CCCC[Sn](CCCC)(CCCC)c1cccc(c1)N=C=S T773950 CCCC[Sn](CCCC)(CCCC)C(=C)CN T773970 CCCC[Sn](CCCC)(CCCC)/C=C/CN T773975 CCCC[Sn](CCCC)(CCCC)/C=C\CN T773980 [2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/[Sn](CCCC)(CCCC)CCCC)[2H])[2H] T774022 CCCC[Sn](CCCC)(CCCC)C(=C)CO T774040 [2H][Sn](CCCC)(CCCC)CCCC T774052 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)OCC(Cl)(Cl)Cl)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl T774060 c1cc(cc2c1cc(cc2Cl)Cl)Cl T774065 c1cc(cc2c1cc(c(c2)Cl)Cl)Cl T774070 CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)C(Cl)(Cl)Cl)O T774075 COC(=O)C(=C(C(Cl)Cl)C(Cl)Cl)Cl T774080 [2H]c1c(c(c(c(c1Cl)OC([2H])([2H])[2H])Cl)[2H])Cl T774087 c1c(c(cc(c1Cl)Cl)Cl)N T774090 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3cnc(nc3=O)N)OC(=O)c4ccc(cc4)Cl)OC(=O)c5ccc(cc5)Cl)Cl T774095 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)[15n]3c[15n]c([15n]c3=O)[15NH2])OC(=O)c4ccc(cc4)Cl)OC(=O)c5ccc(cc5)Cl)Cl T774097 CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O T774100 [2H][13C]([2H])([13C](Cl)(Cl)Cl)O T774107 C(C(Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O T774110 [2H][13C]([2H])([13C](Cl)(Cl)Cl)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O T774112 CCCCCCC[Sn+3].[Cl-].[Cl-].[Cl-] T774115 c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)O)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl)Cl T774120 C(C(Cl)(Cl)Cl)OS(=O)(=O)Cl T774125 c1cn(cn1)S(=O)(=O)OCC(Cl)(Cl)Cl T774130 C[n+]1ccn(c1)S(=O)(=O)OCC(Cl)(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-] T774135 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C T774140 [2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] T774147 c1c(cc(c(c1Cl)O)Cl)Cl T774150 [13cH]1[13c]([13cH][13c]([13c]([13c]1Cl)O)Cl)Cl T774152 c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O T774155 [13cH]1[13c]([13c]([13cH][13c]([13c]1Cl)Cl)Cl)OCC(=O)O T774157 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCC(Cl)(Cl)Cl)C(=O)OC)OC(=O)C T774160 CCOC(=O)[C@]1(CCC=C[C@H]1NC(=O)OCC(Cl)(Cl)Cl)c2ccccc2 T774165 CCOC(=O)[C@]1(CCC=C[C@H]1NC(=O)OCC(Cl)(Cl)Cl)c2ccccc2 T774166 CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C(=O)OCC(Cl)(Cl)Cl)c2ccccc2 T774170 [2H]C([2H])([2H])N([C@@H]1C=CCC[C@]1(c2ccccc2)C(=O)OCC)C(=O)OCC(Cl)(Cl)Cl T774172 CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl T774175 c1c(nc(nc1Cl)Cl)Cl T774180 c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)O T774185 c1(c(c(nc(c1Cl)O)C(=O)O)Cl)Cl T774190 c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)O T774195 c1ccc(cc1)NC(=O)Nc2ccc(c(c2)Cl)Cl T774200 c1cc(c(cc1NC(=O)N[13c]2[13cH][13cH][13c]([13cH][13cH]2)Cl)Cl)Cl T774202 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)OC(=O)OCC(Cl)(Cl)Cl)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C T774205 CCOC(=O)c1c(c(c(c(n1)O)Cl)Cl)Cl T774210 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C)C)OC(=O)C T774215 C([C@@H]1[C@@H](C([C@](O1)(CCl)O[C@@H]2C([C@H]([C@@H](C(O2)CCl)O)O)O)O)O)Cl T774225 c1ccc2c(c1)c3c([nH]2)C(NCC3)C(Cl)(Cl)Cl T774230 [2H]C1(c2c3ccccc3[nH]c2C(NC1([2H])[2H])C(Cl)(Cl)Cl)[2H] T774232 c1ccc2c(c1)c3c([nH]2)[C@H](NCC3)C(Cl)(Cl)Cl T774235 c1ccc2c(c1)c3c([nH]2)[C@@H](NCC3)C(Cl)(Cl)Cl T774240 CN1c2c3c(cn(c3ncn2)[C@H]4C([C@H]([C@H](O4)CO)O)O)C(=N1)N T774245 c1cc(c(cc1Cl)Cl)Oc2ccc(cc2Cl)Cl T774250 [2H]c1c(c(c(c(c1Oc2ccc(cc2O)Cl)Cl)[2H])Cl)[2H] T774252 c1cc(c(cc1Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Oc3ccc(cc3Cl)Cl T774260 c1cc(c(cc1Cl)OS(=O)(=O)[O-])Oc2ccc(cc2Cl)Cl.[Na+] T774265 COc1cc(ccc1Oc2ccc(cc2Cl)Cl)Cl T774275 [2H]C([2H])([2H])Oc1cc(ccc1Oc2ccc(cc2Cl)Cl)Cl T774280 c1c(cnc2c1c(c(cc2C(=O)O)Cl)Cl)Cl T774285 c1c2cc(c(c(c2ncc1Cl)C(=O)O)Cl)Cl T774290 CCCCCCCCCCCCCC[C@@H]1[C@H]([C@@H](C(O1)O)OS(=O)(=O)C)O T775000 CCc1ccnc(c1)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl T775300 [2H]c1c(nc(c(c1C([2H])([2H])C)[2H])C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl)[2H] T775302 CC1(O[C@@H](C[C@@H](O1)CS(=O)(=O)c2nnnn2c3ccccc3)CC(=O)OC(C)(C)C)C T775400 CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN)c3ccc(cc3)O T775500 CCO[Si](C#C)(OCC)OCC T775600 CCO[Si](CN)(OCC)OCC T775650 CC[N+](CC)(CC)CCSS(=O)(=O)C.[Br-] T775800 CC1(CC(CC(N1O)(C)C)NC(=O)CCCCC[N+](C)(C)C)C.[Br-] T775930 CC[N+](CC)(CC)CCCCCCSS(=O)(=O)C.[Br-] T776000 CC[N+](CC)(CC)CCCSS(=O)(=O)C.[Br-] T776300 CCOC(=O)Oc1c2c(c(c3c1C(=O)c4cccc(c4C3=O)OC)OC(=O)OCC)[C@H](C[C@@](C2)(C(=O)C)O)OC(=O)OCC T776380 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3OC(=O)OCC)[C@H](C[C@@](C4)(C=O)O)OC(=O)OCC)OC(=O)OCC)C2=O T776392 CCOC(=O)Oc1c2c(c(c3c1C(=O)c4cccc(c4C3=O)O)OC(=O)OCC)[C@H](C[C@@](C2)(C(=O)C)O)OC(=O)OCC T776400 CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C T776470 CS(=O)(=O)OCCOCCOCCOS(=O)(=O)C T776500 CCCCCCCCCc1ccc(cc1)OCCOCCOCCO T776540 C1CN1P(=O)(N2CC2)N3CC3 T776600 [2H]C1(C(N1P(=O)(N2C(C2([2H])[2H])([2H])[2H])N3C(C3([2H])[2H])([2H])[2H])([2H])[2H])[2H] T776602 C1CN1P(=S)(N2CC2)N3CC3 T776650 [2H]C1(C(N1P(=S)(N2C(C2([2H])[2H])([2H])[2H])N3C(C3([2H])[2H])([2H])[2H])([2H])[2H])[2H] T776652 CCOC(=O)/C=C(\C)/CP(=O)(OCC)OCC T776800 [2H]C([2H])([2H])C(OCC)(OCC)OCC T776852 [2H]C([2H])([2H])[N+]1(CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O.[Cl-] T779212 c1cc(ccc1N)NC(=O)C(F)(F)F T781000 C[C@H]1[C@H]([C@H](CC(O1)O)NC(=O)C(F)(F)F)O T781450 C[C@H]1[C@H]([C@H](CC(O1)OC(=O)c2ccc(cc2)[N+](=O)[O-])NC(=O)C(F)(F)F)OC(=O)c3ccc(cc3)[N+](=O)[O-] T781500 CCCC[Sn](CCCC)(CCCC)c1cc(ccc1COC(=O)c2ccccc2)C3(N=N3)C(F)(F)F T791265 c1cc(cc(c1)NC=O)C2(N=N2)C(F)(F)F T791275 COc1cc(cc(c1O)C(F)(F)F)C(=O)OC T791280 c1cc(ccc1C=O)C2(N=N2)C(F)(F)F T791285 c1cc(ccc1CN)C2(N=N2)C(F)(F)F.Cl T791290 c1cc(ccc1CCCCCCCCCCC(=O)O)C2(N=N2)C(F)(F)F T791295 c1cc2c(c(c1)C(F)(F)F)NC(=O)C2=O T791300 c1cc(cc2c1cc(nc2)C(=O)O)C(F)(F)F.Cl T791305 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8 T808972 c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3 T808990 c1ccc(cc1)P(=CC=O)(c2ccccc2)c3ccccc3 T809000 c1ccc(cc1)[Sn+](c2ccccc2)c3ccccc3.[OH-] T809350 CCCCCCCCCCCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] T809500 C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl T810500 C1CCN2C3CCCCN3C4CCCCN4C2C1 T810800 Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3.Cl T814000 [2H]C1(C(C(N(C1([2H])[2H])C/C=C(\c2ccc(cc2)C)/c3ccccn3)([2H])[2H])([2H])[2H])[2H].Cl T814002 CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C T815600 [2H][C@@]12C[C@H]3[C@@]4(O3)[C@@H]([C@@]5([C@@H](O5)[C@H]6[C@]4([C@]1(CCC7=C2C(OC7=O)([2H])[2H])C)O6)C(C)C)O T815602 CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OCOP(=O)([O-])[O-])O7)COC6=O)C.[Na+].[Na+] T815620 [2H][C@@]12C[C@H]3[C@@]4(O3)[C@@H]([C@@]5([C@@H](O5)[C@H]6[C@]4([C@]1(CCC7=C2C(OC7=O)([2H])[2H])C)O6)C(C)C)OCOP(=O)([O-])[O-].[Na+].[Na+] T815622 CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O T815800 c1cc(cnc1)C(CC(=O)c2cccnc2)CC(=O)c3cccnc3 T821100 C1CSSSC1CCCCC(=O)O T871000 c1cc(ccc1N)N(c2ccc(cc2)N)c3ccc(cc3)N T875000 C(CCl)OP(=O)(OCCCl)OCCCl T875500 [2H]C([2H])(C([2H])([2H])Cl)OP(=O)(OC([2H])([2H])C([2H])([2H])Cl)OC([2H])([2H])C([2H])([2H])Cl T875502 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)[C@@H](C(C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C T876500 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)[C@@H](C(C)C(=O)C(C)(C)[C@H](CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C T876625 Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)[C@@H](C(C)C(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C T876675 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)NC(=O)C(F)(F)F)OC(=O)c6ccc(cc6)[N+](=O)[O-] T783060 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)OC(=O)c6ccc(cc6)[N+](=O)[O-])NC(=O)C(F)(F)F)O)C2=O T783062 c1cc(ccc1CNC(=O)C(F)(F)F)COc2c3c([nH]cn3)nc(n2)N T784050 c1cc(ccc1NC(=O)C(F)(F)F)O T785000 c1cc(ccc1NC(=O)C(F)(F)F)O[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)CO)O)O)N=[N+]=[N-] T786000 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)F)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C T786025 CN(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C(=O)C(F)(F)F T786345 [2H]C([2H])([2H])N(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C(=O)C(F)(F)F T786347 CN(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C(=O)C(F)(F)F T786350 c1cc(ccc1C2(c3ccc(cc3CO2)C#N)CCCNC(=O)C(F)(F)F)F T786370 c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCCNC(=O)C(F)(F)F)F T786375 [13C](=O)([13C](F)(F)F)O[13C](=O)[13C](F)(F)F T786422 c1ccc(cc1)C(=O)C(F)(F)F T786450 C(CC(O)(P(=O)(O)O)P(=O)(O)O)CNC(=O)C(F)(F)F T786500 [2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)[2H])[2H])NC(=O)C(F)(F)F)[2H] T786732 c1cc(ccc1C(=O)O)NC(=O)C(F)(F)F T786745 [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])NC(=O)C(F)(F)F)[2H] T786747 C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)COS(C)(C)C(C)(C)C)O)NC(=O)C(F)(F)F)O T786760 C(CCC(=O)O)CCNC(=O)C(F)(F)F T786780 C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)C(F)(F)F T786800 C[C@H](Cc1ccccc1)NC(=O)C(F)(F)F T786850 C[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F T786851 c1cc(ccc1C(=O)C(F)(F)F)N T786880 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C T786890 COc1cc(ccc1OCc2ccccc2)CCNC(=O)C(F)(F)F T786900 c1c(c(cc(c1Cl)O)N)C(=O)C(F)(F)F T786940 CC(C)[Si](C(C)C)(C(C)C)Oc1cc(c(cc1Cl)C(=O)C(F)(F)F)N T786960 CC(C)[Si](C(C)C)(C(C)C)Oc1cc(c(cc1Cl)C(=O)C(F)(F)F)NC(=O)C(C)(C)C T786970 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)NC(=O)C(F)(F)F)O T786985 [2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O)C2=O T786987 C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O T786995 COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C(F)(F)F)O T787015 COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)NC(=O)C(F)(F)F T787025 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)C)O)NC(=O)C(F)(F)F)O T787095 C(C(=O)O)NC(=O)C(F)(F)F T787205 C1CC(=O)N(C1=O)OC(=O)CNC(=O)C(F)(F)F T787225 C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)COC(=O)C)O)NC(=O)C(F)(F)F)OC(=O)c6ccc(cc6)[N+](=O)[O-] T787280 Cc1c(nc2c(n1)ccc(c2[N+](=O)[O-])NC)C T787300 c1cc(c(cc1Cl)C(=O)C(F)(F)F)N.O.Cl T787950 C(CCCO)CCNC(=O)C(F)(F)F T788050 COc1cc2c(c(c1OC)OC)-c3ccc(=O)c(cc3[C@H](CC2)NC(=O)C(F)(F)F)OC T788100 C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N T788500 C(CCNC(=O)C(F)(F)F)C[C@H]1C(=O)OC(=O)N1 T788530 CN([C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC)C(=O)C(F)(F)F T789500 CN([C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC)C(=O)C(F)(F)F T789510 c1cc2c(cc1NC(=O)C(F)(F)F)OCO2 T789525 C1CCN(CC1)C(=O)C(F)(F)F T789620 C(CN)CNC(=O)C(F)(F)F.Cl T789680 C(=O)(C(F)(F)F)NNC(=S)N T789725 [2H]C([2H])([2H])Oc1c2c(nc(n1)NC(=O)C(F)(F)F)n(cn2)C(=O)C(F)(F)F T789802 c1c(cc(c(c1F)C#N)F)F T790025 c1cc(c(c(c1C(=O)Cl)F)F)F T790075 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)N.Cl T790125 Cc1ccc(cc1)S(=O)(=O)O/N=C(/c2ccc(cc2)CO[Si](C)(C)C(C)(C)C)\C(F)(F)F T790150 c1cc(c(cc1OCC(F)(F)F)C(=O)OCC(F)(F)F)OCC(F)(F)F T790200 [2H]c1c(c(c(c(c1OCC(F)(F)F)[2H])C(=O)OCC(F)(F)F)OCC(F)(F)F)[2H] T790202 c1cc(c(cc1OCC(F)(F)F)C(=O)OCC(F)(F)F)O T790240 CC(C)(C)[Si](C)(C)OCc1ccc(cc1)/C(=N/O)/C(F)(F)F T790280 C(C(F)(F)F)OS(=O)(=O)C(F)(F)F T790300 [C@H](C(=O)O)(C(F)(F)F)O T790500 C(F)(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F T790520 c1cc(ncc1C(=O)O)C(F)(F)F T790650 c1cc(c(nc1)C(=O)O)C(F)(F)F T790680 c1cc(ccc1[15NH2])OC(F)(F)F T790702 c1ccc(c(c1)[N+](=O)[O-])OC(F)(F)F T790840 c1cc(ccc1[15N+](=O)[O-])OC(F)(F)F T790852 COc1cc(c(c(c1F)F)F)C(=O)CC(=O)O T790865 CCOC(=O)CC(=O)c1cc(c(c(c1F)F)F)OC T790870 c1cc(cc(c1)OC(F)(F)F)O T790900 c1ccc(c(c1)CC2CNC2)OC(F)(F)F T790940 c1cc(ccc1CC2CNC2)OC(F)(F)F T790945 CC(=O)N/C(=C\c1ccccc1C(F)(F)F)/C(=O)O T791000 CC(=O)c1ccc(cc1)C(F)(F)F T791025 CC(=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(F)(F)F T791027 c1cc(ccc1C(F)(F)F)N T791050 c1cc(ccc1CCCC=O)C(F)(F)F T791080 c1cc(cc(c1)C(F)(F)F)CCC=O T791100 c1cc(cc(c1)C(F)(F)F)CCCO T791110 c1ccc(c(c1)CCl)C(F)(F)F T791130 c1cc(ccc1C(=O)NCC(=O)O)C(F)(F)F T791150 c1cc(cc(c1)C(F)(F)F)C(=O)C2CCNCC2.Cl T791170 c1cc(cc(c1)C(F)(F)F)CBr T791190 [13cH]1[13cH][13c]([13cH][13c]([13cH]1)C(F)(F)F)CBr T791192 Cc1ccc(cc1)S(=O)(=O)[O-].c1cc(c(c(c1)C(F)(F)F)C(=O)OCC(=O)C[NH3+])C(F)(F)F T791200 C(c1nnc(o1)C(F)(F)F)Cl T791210 C1CC1(C(=O)O)C(F)(F)F T791215 C1[C@@H](CC[C@H](C1)C(F)(F)F)C(=O)O T791220 c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O T791225 C1CC(=O)CCC1C(F)(F)F T791230 C1CC(C(C1)N)C(F)(F)F T791235 c1cc(ccc1C(=O)O)C2(N=N2)C(F)(F)F T791240 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)C3(N=N3)C(F)(F)F T791250 c1cc(ccc1CO)C2(N=N2)C(F)(F)F T791255 CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C2(NN2)C(F)(F)F T791260 [2H]C([2H])([2H])c1c(cccc1N)C(F)(F)F T791312 c1cc(c(nc1)C(F)(F)F)C(=O)O T791325 c1cc(cc(c1)C(F)(F)F)C2CCN2.Cl T791330 Cc1ccc(cc1)/C(=N/O)/C(F)(F)F T791335 Cc1ccc(cc1)/C(=N/OS(=O)(=O)c2ccc(cc2)C)/C(F)(F)F T791340 Cc1ccc(c(n1)c2ccc(cc2)C(F)(F)F)C(=O)O T791345 CC(C)(C)C(=O)Nc1cccc(c1)C(F)(F)F T791348 c1c(cn[nH]c1=O)C(F)(F)F T791350 CCC1CCC(NCC1)c2ccc(cc2)C(F)(F)F.Cl T791355 CC(=O)Cc1cccc(c1)C(F)(F)F T791380 c1ccc(c(c1)CC2CNC2)C(F)(F)F T791400 c1cc(ccc1CC2CNC2)C(F)(F)F T791405 CC(C(F)(F)F)N T791460 c1cc(ncc1C(F)(F)F)S(=O)(=O)Cl T791526 c1cc(ncc1S(=O)(=O)Cl)C(F)(F)F T791535 c1cc(ccc1C=O)S(=O)(=O)C(F)(F)F T791775 c1cc(ccc1CO)S(=O)(=O)C(F)(F)F T791785 CC(CCN(CCC(C)CC(C)(C)C)S(=O)(=O)C(F)(F)F)CC(C)(C)C T791795 C1Cn2c(nnc2C(F)(F)F)CN1.Cl T791810 c1cc(ccc1CO)SC(F)(F)F T791840 c1cc(ncc1C(F)(F)F)S T791865 c1ccc2c(c1)c(=O)c3cc(ccc3s2)C(F)(F)F T791870 Cc1ccccc1C(F)(F)F T791880 c1([nH]c(=S)[nH]n1)C(F)(F)F T791900 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1C([C@@H](CO)O)O)(C(=O)OC)Oc2ccc3c(cc(=O)oc3c2)C(F)(F)F)O T792020 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2ccc3c(cc(=O)oc3c2)C(F)(F)F)O.[Na+] T792025 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1C([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Oc2ccc3c(cc(=O)oc3c2)C(F)(F)F)OC(=O)C T792030 c1cc2c(cc(=O)oc2cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)C(F)(F)F.[K+] T792035 CC[C@H](CC(=O)N)Nc1ccc(cc1)C(F)(F)F T792040 C(=N/NC(=O)N)\C(=O)C(F)(F)F T792050 c1cc(c(c(c1O)F)F)F T792600 CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)O/C(=N\c2ccccc2)/C(F)(F)F)C(=O)OC)OC(=O)C T792620 Cc1ccc(cc1)S(=O)(=O)O/N=C(/c2ccccc2)\C(F)(F)F T792630 c1c(c(nc(c1F)F)F)C#N T792650 c1cnccc1NC(=O)C(F)(F)F T792675 c1c[n+](ccc1NC(=O)C(F)(F)F)[O-] T792680 CCOC(=O)C(=O)C(F)(F)F T792700 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)C(F)(F)F T792800 c1cc(cc(c1)N2CCNCC2)C(F)(F)F.Cl T793500 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cccc(c2)C(F)(F)F)([2H])[2H])[2H].Cl T793502 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] T793550 CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F T793600 CC(=O)O[13c]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)C(F)(F)F T793602 c1cc(oc1)P(c2ccco2)c3ccco3 T793700 COCCOCCOCCOC T793800 [2H]C([2H])([2H])OCCOCCOCCOC([2H])([2H])[2H] T793802 CCCCCC(=O)Oc1cc2c(c(=O)cc(o2)c3ccc(c(c3)OC(=O)CCCCC)OC)c(c1)OC(=O)CCCCC T794510 CCCCCC[N+](CCCCCC)(CCCCCC)CCSS(=O)(=O)C.[Br-] T794550 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCSS(=O)(=O)C.[Br-] T794580 CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCCCSS(=O)(=O)C.[Br-] T794610 CCCCCC[N+](CCCCCC)(CCCCCC)CCCSS(=O)(=O)C.[Br-] T794640 c1ccc(cc1)C(CCN2CCCCC2)(C3CCCCC3)O.Cl T795000 COc1cc(ccc1O)C(=O)C(O)O T795010 c1c(cc(c(c1O)O)O)C=O T795015 c1cc(c(c(c1C=O)O)O)O T795020 c1cc(c(c(c1CNN)O)O)O T795025 c1cc(c(c(c1CNN)O)O)O.C(=O)(C(=O)O)O T795030 CO.c1cc(c(c(c1C[15NH][15NH2])O)O)O T795032 CC(=O)N[C@@H](CSCC(C(CO)O)O)C(=O)O T795040 CC(=O)N[C@@H](CSCC(C(CO)O)O)C(=O)OC T795045 c1ccc2c(c1)ncc(n2)CC(C(CO)O)O T795050 C1CCC2(CC1)O[C@H]3[C@@H](O2)C(=O)OC3O T795070 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C T795100 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C)C([2H])([2H])[2H] T795102 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C T795150 CCOCO[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)OCOCC)OCOCC)C T795160 C1CCC2(CC1)O[C@@H]3C=C[C@@H]([C@@H]3O2)O T795180 C[C@]12CC[C@@H](C[C@]1(C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@]4(C#CCO)O)C)O)O T795190 c1cc(c(cc1c2coc3cc(ccc3c2=O)O)O)O T795200 c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)[N+](=O)[O-] T795220 CCC(O)CCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCC(O)CC)COC(=O)CCCCCCC/C=C\CCCCCC(O)CC T795225 C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C T795230 C[C@]12CCC3(C=C1CC[C@@H]4[C@@H]2[C@H](C[C@]5([C@H]4CC[C@@]5(C6(OCCO6)CO)O)C)O)OCCO3 T795240 [2H][C@]12[C@@H](CCC3=CC4(CC[C@@]31C)OCCO4)[C@@H]5CC[C@@]([C@]5(C([C@]2([2H])O)([2H])[2H])C)(C6(OCCO6)CO)O T795242 CCN(CC)CC.c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@@H]([C@H]([C@@H]4O)O)O)Nc6[nH]c(=O)c7c(n6)n(cn7)[C@H]8C[C@H]([C@H](O8)CO)OP(=O)(O)O T795250 C(=O)(C(I)(I)I)O T795275 C(#N)C(I)(I)I T795290 c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O T795320 c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2cc(c(c(c2)I)O)I T795350 c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O T795380 c1c(cc(c(c1I)O[13c]2[13cH][13cH][13c]([13c]([13cH]2)I)O)I)C[C@@H](C(=O)O)N T795382 c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+] T795385 c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)I)I)O T795390 c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)OS(=O)(=O)O T795395 c1cc(c(cc1Oc2c(cc(cc2I)CCC(=O)O)I)I)O T795410 CC(C)C[N+](CCCCCCSS(=O)(=O)C)(CC(C)C)CC(C)C.[Br-] T795450 CC(C)C[N+](CCCCCCCCSS(=O)(=O)C)(CC(C)C)CC(C)C.[Br-] T795470 CC(C)C(=O)O[C@@H]1[C@H](O[C@H]([C@@H](C1OC(=O)C(C)C)OC(=O)C(C)C)O[C@H]2CC(N(C2=O)C)c3cccnc3)C(=O)OC T795485 c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)NCCCOS(=O)(=O)CC(F)(F)F T795500 [2H]C1(C(N(C(C(N1c2nc3c(cc(c(c3OC)OC)OC)c(n2)N)([2H])[2H])([2H])[2H])C(=O)OCC(C)(C)O)([2H])[2H])[2H].Cl T795517 CCOC(=O)N1CCN(CC1)Cc2ccc(c(c2OC)OC)OC T795530 C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O[Si](C(C)C)(C(C)C)C(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC T795540 CC(C)[Si](C#Cc1cc(cnc1)[C@@H]2CCCN2C)(C(C)C)C(C)C T795550 CC(C)[N+](CCCCCCSS(=O)(=O)C)(C(C)C)C(C)C.[Br-] T795560 CC(C)[N+](CCCSS(=O)(=O)C)(C(C)C)C(C)C.[Br-] T795570 CC(C)[N+](CCCSS(=O)(=O)C)(C(C)C)C(C)C.[Br-] T795580 CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)C(=O)OC T795585 CC(C)[Si](C(C)C)(C(C)C)Oc1cc(ccc1Cl)N T795590 CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)CO T795595 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@]45[C@@]3(CC(=C([C@H]4O5)O)C#N)C T795600 CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)C.C(=C\C(=O)O)\C(=O)O T795605 [2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)C T795607 COc1ccc(c(c1OC)OC)CN2CCNCC2 T795610 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2ccc(c(c2OC)OC)OC)([2H])[2H])[2H] T795612 COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N T795615 [13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])Cc2cnc(nc2N)N T795616 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])Cc2cnc(nc2N)N T795617 [2H]C([2H])([2H])Oc1c(cc(cc1OC)Cc2cnc(nc2N)N)OC T795618 CCN(CC)CC(=O)Nc1c(cc(cc1C)C)C.Cl T795620 [2H]C([2H])([2H])C([2H])([2H])N(CC(=O)Nc1c(cc(cc1C)C)C)C([2H])([2H])C([2H])([2H])[2H].Cl T795622 COc1ccc(cc1N)/C=C\c2cc(cc(c2)OC)OC T795625 COc1cc(cc(c1OC)OC)CO T795630 [13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])CO T795631 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CO T795632 COc1cc(cc(c1OC)OC)C=O T795635 [13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])C=O T795636 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C=O T795637 [2H]C([2H])([2H])Oc1c(cc(cc1OC)C=O)OC T795638 COc1cc(cc(c1OC)OC)C(=O)O T795640 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)O T795642 [13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])CBr T795646 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CBr T795647 CCN(CC)CCCCCCCCOC(=O)c1cc(c(c(c1)OC)OC)OC.Cl T795650 COC/C(=C/c1cc(c(c(c1)OC)OC)OC)/C#N T795655 [2H]C([2H])([2H])Oc1c(cc(cc1OC)/C=C(/COC)\C#N)OC T795657 CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)/C=C\c2cc(cc(c2)OC)OC T795660 CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)/C=C\c2cc(cc(c2)OC)OC T795661 COc1cc(cc(c1OC)OC)CC(C#N)C(OC)OC T795665 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CC(C#N)C(OC)OC T795667 COc1cc(cc(c1OC)OC)N T795670 CC(CCc1ccc(cc1)OC)NCCc2ccc(c(c2)OC)OC.Cl T795675 COc1ccc(cc1O)/C=C\c2cc(cc(c2)OC)OC T795680 COc1ccc(c(c1OC)OC)C=O T795685 COc1ccc(c(c1OC)OC)CO T795690 CC(CN1c2ccccc2Sc3c1cccc3)CN(C)C T795700 [2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cccc3)C([2H])([2H])[2H] T795702 C[C@@H]1CC(=CC(=O)[C@]12C(=O)c3c(cc(cc3OC)OC)O2)OC T795720 COc1cc(cc(c1OC)OC)CCN.Cl T795730 CO[Si](CCCC=O)(OC)OC T795735 CO[Si](CN)(OC)OC T795745 COc1ccc(cc1OC)CCNC(=O)Cc2cc(c(c(c2)OC)OC)OC T795750 CO[Si](CCCNC(=O)c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F)(OC)OC T795755 CC(C)(C)C(=O)OC(=O)C(C)(C)C T795760 COC(=O)C/C(=C\C(=O)OC)/C(=O)OC T795765 COC(=O)C/C(=C\C(=O)OC)/C(=O)OC T795770 C[N+](C)(C)c1ccc(cc1)CO.[Br-] T795775 C[C@@]12C[C@]3(C[C@@](C1)(CC(C3)C2)C)C T795780 C[N+](C)(C)c1ccc(cc1)CBr.[Br-] T795785 C[N+](C)(C)[O-] T795790 [2H]C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])[O-] T795792 Cc1cc(cc(c1)C(C)(C)C#N)CC#N T795795 CCC(=O)OC1(CC(N(CC1C)C)C)c2ccccc2.Cl T795800 [2H]c1c(c(c(c(c1[2H])[2H])C2(CC(N(CC2C)C)C)OC(=O)CC)[2H])[2H].Cl T795802 [2H]C([2H])([2H])N(C([2H])([2H])[2H])C([2H])([2H])[2H].Cl T795807 Cc1ccc(c(c1)C)NC T795810 C[N+](C)(C)c1ccc(cc1)CSS(=O)(=O)C.[Br-] T795825 C[N+](C)(C)CCNC(=O)/C=C\C(=O)[O-].[Na+].[Br-] T795833 C[N+](C)(C)CCCCSS(=O)(=O)[CH2].[Br-] T795840 C[N+](C)(C)CCN1C(=O)C=CC1=O.[Cl-] T795880 C[N+](C)(C)CCSS(=O)(=O)C T795900 C[N+](C)(C)[14CH2][14CH2]SS(=O)(=O)C.[Br-] T795901 C[N+](C)(C)CCSS(=O)(=O)C.[Cl-] T795903 Cc1ccc(cc1)S(=O)(=O)SCC[N+](C)(C)C.[Br-] T795905 C[N+](C)(C)CCCCCCCSS(=O)(=O)C.[Br-] T795906 C[N+](C)(C)CCCCCCSS(=O)(=O)C.[Br-] T795907 C[N+](C)(C)Cc1ccc(cc1)CO.[Cl-] T795910 C[N+](C)(C)Cc1ccc(cc1)CSS(=O)(=O)C.[Cl-] T795915 C[N+](C)(C)CSS(=O)(=O)C.[Br-] T795920 C[N+](C)(C)CCCCCSS(=O)(=O)C.[Br-] T795935 C[N+](C)(C)CCCSS(=O)(=O)C.[Br-] T795950 Cc1cc(c(c(c1)C)CCl)C T795955 CC(C)(C)OC(=O)NCC[N+](C)(C)C.[Br-] T795960 CC1=C(C(CC=C1)(C)C)C#N T795965 CC1=Nc2ccc(cc2C1(C)C)C(=O)O T795970 CC1=C(C(CCC1)(C)C)C#N T795975 CC1=C(C(CCC1)(C)C)/C=C/C#CC#N T795980 CC\1=CCCC(/C1=C/C=C(/C)\OC(=O)C)(C)C T795985 CC1(OCC(CO1)(C)C(=O)O)C T795990 [2H]C([2H])([2H])C1(COC(OC1)(C)C)C(=O)O T795992 CC1(OCC(CO1)(C)C(=O)OC=C)C T795995 [2H]C([2H])([2H])C1(COC(OC1)(C)C)C(=O)OC=C T795997 CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)OC)CO)O T796000 [2H]C([2H])([2H])C1(COC(OC1)(C)C)C(=O)OC T796007 COc1cc(c(cc1OC)OC)CN2CCNCC2 T796015 COc1cc(c(c(c1)OC)CN2CCNCC2)OC T796020 COc1cc(cc(c1OC)OC)CN2CCNCC2 T796025 C[N+](C)(C)CC(=O)ON1C(=O)CCC1=O.[Br-] T796050 [2H]C([2H])([2H])[N+](CC(=O)ON1C(=O)CCC1=O)(C([2H])([2H])[2H])C([2H])([2H])[2H] T796052 Cc1c(nc2cc3c(cc2n1)nc(n3C)N)C T796060 [2H]C([2H])([2H])n1c2cc3c(cc2nc1N)nc(c(n3)C)C T796062 CC1=Nc2ccc(cc2C1(C)C)S(=O)(=O)[O-].[K+] T796275 CN/C(=N/C)/SC.I T796345 [2H]C([2H])([2H])N/C(=N/C([2H])([2H])[2H])/SC([2H])([2H])[2H].I T796347 CN(C)C(=N)SC.I T796350 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C)/C T796410 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C[Si](C)(C)C)/C T796450 C[C@]1([C@H]2CC[C@H](C2)C1(C)C)N=C=S T796470 CCOC(=O)CC(=O)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C T796580 B(F)(F)F.C[O+](C)C.[F-] T796590 Cc1c(c(c(c(c1O)C)O)C)O T796600 [2H]C([2H])([2H])OP(OC([2H])([2H])[2H])OC([2H])([2H])[2H] T796622 C[N+](C)(C)c1ccccc1.[I-] T796640 [2H]C([2H])([2H])[N+](c1ccccc1)(C([2H])([2H])[2H])C([2H])([2H])[2H].[I-] T796642 C/C(=C\C(C)(C)c1ccc(cc1)O)/c2ccc(cc2)O T796655 CCC[N+](C)(C)C.[Cl-] T796665 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+](C)(C)C.[Cl-] T796667 Cc1cc(n(n1)C)C T796675 Cc1cc(c(nc1)C)C T796700 Cc1cc(c([n+](c1)[O-])C)C T796705 C[Si](C)(C)OCC(CCl)O T796730 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O[Si](C)(C)C T796770 C[Si](C)(C)C#Cc1cc2c(cc1C(C=C)O)OCO2 T796810 CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2C#C[Si](C)(C)C)C#N)OC(=O)C)OC(=O)C T796820 C[Si](C)(C)n1ccnc1 T796830 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O[Si](C)(C)C)C T796840 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[Si](C)(C)C)CCC4=CC(=O)CC[C@H]34 T796850 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](C)O T796860 CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](C)O T796865 CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO[Si](C)(C)C)CCl T796870 C[Si](C)(C)OC1=CC(CCC1)c2ccccc2 T796875 C[Si](C)(C)CCC(=O)[O-].[Na+] T796880 [2H]C([2H])(C(=O)[O-])C([2H])([2H])[Si](C)(C)C.[Na+] T796882 CC#C[Si](C)(C)C T796890 C[Si](C)(C)N1CCCC1=O T796900 C[Si](C)(C)N1CCCCC1=O T796970 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[N+](C)(C)C)O.[Cl-] T797150 C[Sn](C)(C)c1cccc(c1)C(=O)O T797190 C[Sn](C)(C)c1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)CO)O T797200 Cc1ccc(cc1[Sn](C)(C)C)C(=O)O T797205 CC(C)(C)C(=O)Nc1ccccc1[Sn](C)(C)C T797220 CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)[O-])CCCS(=O)(=O)[O-].[K+] T797450 CN(C)CCN(C)CCS T797600 [2H]C([2H])([2H])n1c2c(nc1O)n(c(=O)n(c2=O)C)C T798000 COc1cc(cc(c1OC)OC)C(=O)N2CCOCC2 T798200 [2H]C1(C(OC(C(N1C(=O)c2cc(c(c(c2)OC)OC)OC)([2H])[2H])([2H])[2H])([2H])[2H])[2H] T798202 CC(CN1c2ccccc2CCc3c1cccc3)CN(C)C.C(=C\C(=O)O)\C(=O)O T799000 CCN(CC)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)(c3ccc(cc3)C)O T808250 CN(C)CCN(Cc1ccccc1)c2ccccn2.Cl T808325 CCCCC[N+](CCCCC)(CCCCC)CCSS(=O)(=O)C.[Br-] T808450 CCCCC[N+](CCCCC)(CCCCC)CCCCCCSS(=O)(=O)C.Br T808470 CCCCC[N+](CCCCC)(CCCCC)CCCCCCCCSS(=O)(=O)C.Br T808490 CCCCC[N+](CCCCC)(CCCCC)CCCSS(=O)(=O)C.Br T808510 B(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3 T808800 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCl T808930 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)O T808950 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N T808960 c1ccc(cc1)C(CO)(CO)CO T884910 c1cc(ccc1N=C=O)N(c2ccc(cc2)N=C=O)c3ccc(cc3)N=C=O T885000 CC(C)c1ccccc1OP(=O)(Oc2ccccc2C(C)C)Oc3ccccc3C(C)C T885300 CS(=O)(=O)SCCN(CCSS(=O)(=O)C)CCSS(=O)(=O)C T885825 c1cc(ccc1COP(=O)(OCc2ccc(cc2)[N+](=O)[O-])OCc3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] T886060 c1cc(ccc1N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] T886100 c1cc(ccc1[N+](=O)[O-])OP(=O)(Oc2ccc(cc2)[N+](=O)[O-])Oc3ccc(cc3)[N+](=O)[O-] T886150 c1ccc(cc1)COCC(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] T886200 C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+] T886280 C(COP(=O)(OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F T886330 C(COP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F T886350 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N.Cl T895505 CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1.C(=O)(C(F)(F)F)O T897000 CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O T897150 CC(C)(C)NCC(c1ccccc1Cl)O T897250 CCC(C)C(CC)C(=O)N V094500 [2H]C([2H])([2H])C([2H])([2H])C(C(C)CC)C(=O)N V094502 CCCC(CCC)C(=O)O V094750 [2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O V094752 CCCC(CCC)C(=O)O V094755 CCCC(CCC)C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O V094760 [2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O V094762 CCCC(CCC)C(=O)O[C@H]1[C@H](C([C@@H](C(O1)C(=O)OCC=C)O)O)O V094780 CCCC1CC(OC1=O)C V094800 CCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)OC5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O V095600 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@H](C(C)C)C(=O)O V095750 [2H]C([2H])([2H])CCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@H](C(C)C)C(=O)O V095752 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@H](C(C)C)C(=O)O V095753 C(COP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F T886370 CC(C)[Si](C(C)C)(C(C)C)OCC(CO[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C T886400 [2H]C([2H])(C([2H])(C([2H])([2H])O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C T886402 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC T886450 CC(C)(C)OC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.Br T886460 c1ccc(cc1)P(c2ccccc2)(c3ccccc3)[Rh+](P(c4ccccc4)(c5ccccc5)c6ccccc6)P(c7ccccc7)(c8ccccc8)c9ccccc9.[Cl-] T886465 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@@H]([C@@H]([C@H](C(O4)O[C@]5([C@H]([C@@H]([C@H](O5)COC(c6ccccc6)(c7ccccc7)c8ccccc8)O)O)COC(c9ccccc9)(c1ccccc1)c1ccccc1)O)O)O T886470 CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)/C(=C/C)/C)(C4(C)C)O)O[Si](CC)(CC)CC)C)O[Si](CC)(CC)CC)C)OC(=O)C T886600 CO/N=C(/c1csc(n1)NC(c2ccccc2)(c3ccccc3)c4ccccc4)\C(=O)O T887000 COC(=O)/C(=N\OC)/c1csc(n1)NC(c2ccccc2)(c3ccccc3)c4ccccc4 T887005 [2H]C([2H])([2H])O/N=C(/c1csc(n1)NC(c2ccccc2)(c3ccccc3)c4ccccc4)\C(=O)OC T887007 Cc1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3COC(c4ccccc4)(c5ccccc5)c6ccccc6 T887175 CC(OC(=O)c1cccc2c1n(c(n2)OC)Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)OC(=O)OC9CCCCC9 T887190 COc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)O T887195 COc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC T887200 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)O T887205 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OCC T887210 [2H]c1c(c(c(c(c1Cn2c3c(cccc3nc2OCC)C(=O)OC)[2H])[2H])c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)[2H] T887216 [2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC T887217 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC(c9ccccc9)(c1ccccc1)c1ccccc1 T887220 CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC(C)OC(=O)OC9CCCCC9 T887225 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)Cl T887260 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N T887350 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)F T887675 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)F T887677 Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5 T887810 CCCCc1nc(cn1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)Cl T887825 C(CCl)NC(=O)N(CCCl)CCCl T887850 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5F T887880 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H]([C@@H]([C@H](C(O4)O)O)O)O T887920 C[N+](C)(C)CCOP(=O)(O)OC[C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)O T887930 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cnc5c4[nH]c(nc5=O)N T887935 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c[15n][13c]5[13c]4[nH]c(nc5=O)N T887937 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)CCN.C(=O)(C(=O)O)O T887940 [2H]C1(C(=O)[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@H]4[C@]1([C@]([C@@H](C4)OC(c5ccccc5)(c6ccccc6)c7ccccc7)(C(=O)C([2H])([2H])OC(c8ccccc8)(c9ccccc9)c1ccccc1)O)C)[2H] T887947 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O T887950 [2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O T887952 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4ccnc4 T888120 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cncc4CCC(C#N)N T888150 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cncc4CCC=O T888575 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)CO)Cl T888820 [2H]c1c(c(c(c(c1Cn2c(nc(c2CO)Cl)CCCC)[2H])[2H])c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)[2H] T888822 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)Cl)CO T888835 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C=O)Cl T888850 [2H]C([2H])([2H])CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C=O)Cl T888852 [2H]c1c(c(c(c(c1Cn2c(nc(c2C=O)Cl)CCCC)[2H])[2H])c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)[2H] T888853 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)O)Cl T888900 [2H]C([2H])([2H])CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)O)Cl T888902 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OC8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)OCc9ccccc9)O)O)O)Cl T888920 CC(C)(C)OC(=O)NCCc1cn(c[n+]1C)C(c2ccccc2)(c3ccccc3)c4ccccc4.[I-] T889100 [2H]c1c(c(c(c(c1C)[2H])[2H])c2ccccc2c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)[2H] T889172 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCc8c(oc(=O)o8)C)C(C)(C)O T889420 [2H]C([2H])([2H])C(c1c(n(c(n1)CCC)Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCC)(C([2H])([2H])[2H])O T889427 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)Nc4nc(cs4)/C(=N\OC(c5ccccc5)(c6ccccc6)c7ccccc7)/C(=O)O T889440 CC1CC(n2c(=O)c3c(nc2N1)n(cn3)C(c4ccccc4)(c5ccccc5)c6ccccc6)O T889480 CC1CC(n2c(=O)[13c]3[13c](nc2N1)n(c[15n]3)C(c4ccccc4)(c5ccccc5)c6ccccc6)O T889482 CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)CCC8(OCCO8)C T889900 B(c1ccccc1c2nnnn2C(c3ccccc3)(c4ccccc4)c5ccccc5)(O)O T890000 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5ccc(=O)[nH]c5=O)O)O T890500 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H]5[C@H](O5)[C@@H](O4)n6ccc(=O)[nH]c6=O T890510 CCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)[C@H](C(C)C)C(=O)OCc7ccccc7 T891490 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)[C@@H](C(C)C)C(=O)O.[NaH] T891500 C=CP(C=C)C=C T891800 C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl T892000 [2H]C1(COP(=O)(N(C1([2H])[2H])CCCl)N(CCCl)CCCl)[2H] T892002 Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C T892500 CN1[C@@H]2CC[C@H]1CC(C2)O T892610 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 T892650 CN1[C@@H]2CC[C@H]1C[C@H](C2)O T892665 CN1[C@@H]2CC[C@H]1CC(=O)C2 T892680 CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c3c[nH]c4c3cccc4.Cl T892700 CCCCC1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@H]([C@@H]([C@H]([C@H]3O2)NC)O)NC)O)O T892750 c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[N+]45CCCC5)O.[Cl-] T892800 [2H]C1(C(C([N+]2(C1([2H])[2H])[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)(c5ccccc5)O)([2H])[2H])([2H])[2H])[2H].[Cl-] T892802 CS(=O)(=O)O.c1cc(c(cc1F)F)n2cc(c(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C@H](C4)[C@H]5N)C(=O)O T893000 [2H]C1([C@@H]2[C@@H]([C@H]2N)C(N1c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)O)F)([2H])[2H])[2H].CS(=O)(=O)O T893002 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)OCCO)OCCO)OCCO)O)O)O)O)O)O)O T893200 [2H]C([2H])(C([2H])([2H])Oc1ccc(cc1OC([2H])([2H])C([2H])([2H])O)c2c(c(=O)c3c(cc(cc3o2)OC([2H])([2H])C([2H])([2H])O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)O)O)O)O T893202 c1ccc2c(c1)c(c[nH]2)CCN T894600 [2H]C([2H])(c1c[nH]c2c1cccc2)C([2H])([2H])N.Cl T894602 c1ccc2c(c1)c(c[nH]2)[13CH2][13CH](C(=O)O)[15NH2] T894802 COC(=O)C(Cc1c[nH]c2c1cccc2)/N=C/c3ccccc3 T894850 COC(=O)C(Cc1c[nH]c2c1cccc2)N.Cl T895000 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N.Cl T895010 c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N.Cl T895500 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccccc1Cl)O.Cl T897252 [2H]C1(C[C@H]2C(c3c4ccc(c(c4c5c(c3C(N2C1([2H])[2H])([2H])[2H])ccc(c5OC)OC)OC)OC)([2H])[2H])[2H] T898202 c1cc(cc(c1)O)CCN T898490 c1ccc(c(c1)CCN)O T898495 c1cc(ccc1CCN)O T898500 [2H]C([2H])(c1ccc(cc1)O)C([2H])([2H])N.Cl T898502 [13cH]1[13cH][13c]([13cH][13cH][13c]1C[C@@H](C(=O)O)N)O T899977 c1ccc(c(c1)CC(C(=O)O)N)O T899980 c1ccc(c(c1)C[C@H](C(=O)O)N)O T899985 c1ccc(c(c1)C[C@@H](C(=O)O)N)O T899990 c1cc(cc(c1)O)CC(C(=O)O)N T910000 c1cc(cc(c1)O)C[C@@H](C(=O)O)N T910010 COC(=O)C(Cc1cccc(c1)O)N.Cl T910020 c1cc(c(cc1C=C(C#N)C#N)O)O T923000 c1c(cc(c(c1O)O)O)C=C(C#N)C#N T925000 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N T947200 [2H]C([2H])(c1c[nH]c2c1cccc2)C([2H])(C(=O)O)N T947202 c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N T947205 [2H]c1c(c(c2c(c1[2H])c(c([nH]2)[2H])C[C@H](C(=O)O)N)[2H])[2H] T947207 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N T947210 [2H]c1c(c(c2c(c1[2H])c(c([nH]2)[2H])C[C@@H](C(=O)O)N)[2H])[2H] T947212 COC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N.Cl T947500 CC[C@@H]1C(/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC T947650 CC[C@@H]1C(/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC T947660 c1cc(ccc1CCO)O T947800 CC1[C@H](CC([C@@H](O1)O)O)O T948000 Cc1c2c(c(c(c1O)OC)OC)O[C@](C=C2)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C U100500 CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C)n(n1)C U103500 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1c2[nH]c(=O)c3c(n2)c(nn3C)CCC)S(=O)(=O)NCCC4CCCN4C U250502 Cc1c(c(c(c(c1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C U700500 c1ccc(cc1)n2cc(c3c2cccc3)/C=C(\C#N)/C(=O)O U700550 CC1n2c3cc(c(cc3c(=O)c(c2S1)C(=O)O)F)N4CCNCC4 U700700 [2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(c4n3C(S4)C)C(=O)O)([2H])[2H])[2H] U700702 CC1n2c3cc(c(cc3c(=O)c(c2S1)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F)N5CCNCC5 U700710 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O U700800 CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)NC)C)O U700802 CCOP(=O)(CCCCCCCCCC=C)OCc1ccccc1 U789000 CC#CCCCCCCCC(=O)O U789010 C#CCCCCCCCCCO U789050 CC(C)(C)C(/C(=C/c1ccc(cc1)Cl)/n2cncn2)O U789300 CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H](C1C/C=C\CCCC(=O)OC(C)C)O)O U800050 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC(C)C)O)O U800052 c1c[nH]c(=O)[nH]c1=O U801000 c1c[15nH][13c](=O)[15nH]c1=O U801002 Cn1c(cc(=O)n(c1=O)C)NCCCN2CCN(CC2)c3ccccc3OC.Cl U815400 [2H]C1(CN(CC(N1CCCNc2cc(=O)n(c(=O)n2C)C)([2H])[2H])c3ccccc3OC)[2H].Cl U815402 c1ccc(cc1)c2cccc(c2)NC(=O)OC3CCCCC3 U821925 Cc1ccc(cc1)Nc2nc3ccc(cc3c(=O)o2)C U822000 [13C](=O)([15NH2])[15NH2] U822502 [13C](=O)(N)N U822503 c1ccc2c(c1)Cc3ccccc3NC2CNC(=O)N U823500 C(CNC(=O)N)C(=O)O U823800 C1[C@H](C(C([C@@H](C1NC(=O)N)O[C@@H]2C(C[C@@H](C(O2)CN)O)N)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)N U824500 Cc1ccc(cc1)S(=O)(=O)N[C@H](CNC(=O)N)C(=O)O U825000 Cc1cccc(c1)S(=O)(=O)NC(CNC(=O)N)C(=O)O U825005 CCOC(=O)N U825300 [2H]C([2H])([2H])C([2H])([2H])OC(=O)N U825302 c12c([nH]c(=O)[nH]1)[nH]c(=O)[nH]c2=O U829200 c1cn(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)CO)O)O U829910 [2H]c1c(n(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)CO)O)O)[2H] U829912 c1cn(c(=O)[nH]c1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)[O-].[Na+] U829915 c1cn(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O U829920 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O U829930 c1cn(c(=O)[nH]c1=O)[C@H]2C([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[13C@@H]3[13CH]([13C@H]([13C@@H]([13CH](O3)[13CH2]O)O)O)O)O)O U829957 c1c[n@](c(=O)[nH]c1=O)C2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O U830000 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O.[Na+].[Na+] U830005 c1cn(c(=O)[nH]c1=O)[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]OP(=O)([O-])[O-])O)O.[Na+].[Na+] U830007 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O.c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] U830010 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+] U830025 C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C U849900 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C U850000 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O U850002 [2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O U850004 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C U850005 C[C@H](CCC(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C U850010 C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C U850050 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)([2H])[2H])O U850052 C[C@@H]1CC[C@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O U850100 CC(C)[C@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)N.Cl V084995 [2H]C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)N)OCn1cnc2c1nc([nH]c2=O)N.Cl V085002 Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N V090000 [13CH3][13c]1c(c([15n]o1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N V090002 Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)O V090010 [13CH3][13c]1c(c([15n]o1)c2ccccc2)c3ccc(cc3)S(=O)(=O)O V090012 Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)Cl V090015 [13CH3][13c]1c(c([15n]o1)c2ccccc2)c3ccc(cc3)S(=O)(=O)Cl V090017 Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)NS(=O)(=O)c4ccc(cc4)c5c(onc5c6ccccc6)C V090020 CCCCC(=O)[O-].[Na+] V091420 CCCCC(=O)c1ccccc1 V091450 CCCCC(=O)c1cc2c(cc1O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CCCC)C V091500 CCCCC(=O)NC(C(=O)O)C(C)(C)S V091600 CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1nc([nH]c2=O)N)N.Cl V092000 [2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)N)OCn1cnc2c1nc([nH]c2=O)N)O.Cl V092002 C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO.Cl V094000 CC(C)[C@H](C(=O)O)N V094200 CC(C)[C@@H](C(=O)O)N V094205 [13CH3]C([13CH3])[13C@H]([13C](=O)O)N V094207 [2H][C@@](C(=O)O)(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])N V094208 CC(C)[C@@H](C(=O)OCc1ccccc1)N V094270 CC(C)[C@@H](C(=O)OCc1ccccc1)N.Cl V094271 CC(C)[C@H]1C(=O)OC(=O)N1 V094290 CCOC(=O)C(C(C)C)N.Cl V094310 Cc1ccc(cc1)S(=O)(=O)O.CC(C)C(C(=O)OCCO)N V094320 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](C(C)C)NC=O V094330 CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)N V094350 C[C@H]1C(=O)N[C@H](C(=O)OC(C(=O)NC(C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)NC(C(=O)O[C@H](C(=O)N[C@H](C(=O)OC(C(=O)N[C@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C V094370 C[C@H]1[C@@H]([C@](C[C@H](C2([C@H]3[C@@]1(CCC2C)CCC3=O)C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)(C)C=C)O V094400 [2H]C([2H])([2H])C(CNC(=O)[C@@H](C(C)C)N)(C([2H])([2H])[2H])SCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C V094402 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@H](C(C)C)C(=O)O V095755 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@@H](C(C)C)C(=O)OCc4ccccc4 V095760 CCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)[C@H](C(C)C)C(=O)O V095770 CCCC.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC.C/C=C/C[C@@H](C)C(=O)C(C(=O)C(=O)[C@H](C(C)C)NC)N(C)C V096100 C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O.Cl V096500 C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O.Cl V096502 C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H](C(C(=O)N[C@@H](CC(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)O)O)C(=O)O)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O V096510 CC(C)C[C@H](C(=O)NC1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O)Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)O)C(=O)O)O)O)NC V096515 CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br V097100 [2H]C1(CC(CC(N1C)([2H])[2H])COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br)[2H] V097102 COc1cc(ccc1O)C(=O)O V097350 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)C(=O)O V097352 COc1cccc(c1O)C=O V097400 [2H]C([2H])([2H])Oc1cccc(c1O)C=O V097402 [2H]C([2H])([2H])O[13c]1[13cH][13cH][13cH][13c]([13c]1O)C=O V097403 COc1cc(ccc1O)C=O V097500 [13CH3]Oc1cc(ccc1O)C=O V097502 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)C=O V097503 [2H][13C]([2H])([2H])Oc1cc(ccc1O)C=O V097504 COc1cc(ccc1O)C=O.COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=O V097510 [2H]C([2H])([2H])Oc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=O.COc1cc(ccc1O)C=O V097512 CN(C)C(=O)CCS[C@@H](c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O V128500 [2H]C([2H])([2H])N(C(=O)CCS[C@@H](c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O)C([2H])([2H])[2H] V128502 CCCN(CCC)C(=O)SCCC V128700 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC(=O)N(CCC)CCC V128702 C=C[C@@H](CCC(=O)O)N V252995 C=C[C@H](CCC(=O)O)N V253000 [2H][13C](=C[C@H](CCC(=O)O)N)[2H] V253002 C=CC(CCC(=O)O)N.Cl V253010 c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N V265000 [2H]C1(C(N(C(C(N1CCCCc2c[nH]c3c2cc(cc3)C#N)([2H])[2H])([2H])[2H])c4ccc5c(c4)cc(o5)C(=O)N)([2H])[2H])[2H] V265002 c1cc(c(c(c1)F)N(c2ccc(c(n2)c3ccc(cc3F)F)C(=O)N)C(=O)N)F V900250 c1cc(c(c(c1)Cl)c2c3ccc(nn3cnc2=O)Sc4ccc(cc4F)F)Cl V900500 CC(=O)C[C@H](c1ccccc1)c2c(c3ccccc3oc2=O)O W498490 CC(=O)C[C@@H](c1ccccc1)c2c(c3ccccc3oc2=O)O W498495 CC(=O)CC(c1ccccc1)c2c(c3ccccc3oc2=O)O W498500 [2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3ccccc3oc2=O)O)[2H])[2H] W498502 CC(CC(c1ccccc1)c2c(c3ccccc3oc2=O)O)O W498520 COc1cc(ccc1O)CN.Cl V097600 [2H]C([2H])([2H])Oc1cc(ccc1O)CN.Cl V097602 CCOC(=O)C(c1ccc(c(c1)OC)O)O V097615 [2H]C([2H])([2H])Oc1cc(ccc1O)C(C(=O)OCC)O V097617 CC(=O)Cc1ccc(c(c1)OC)O V097625 [2H]C([2H])([2H])C(=O)C([2H])([2H])c1ccc(c(c1)OC)O V097627 CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O V097635 CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)C(C(=O)O)O V098000 C.CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C V098001 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC V098002 CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CC)C V098015 [2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC V098017 CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)N2CC3CC(C2)c4c3cc5c(c4)nccn5)C(=O)OC)OC(=O)C V098470 COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)N2CC3CC(C2)c4c3cc5c(c4)nccn5)O)O)O V098480 c1cnc2cc3c(cc2n1)C4CC3CN(C4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O V098485 c1cnc2cc3c(cc2n1)C4CC3CNC4.C(C(C(=O)O)O)(C(=O)O)O V098490 [2H]C1(C2CC(c3c2cc4c(c3)nccn4)C(N1)([2H])[2H])[2H].C(C(C(=O)O)O)(C(=O)O)O V098492 c1cnc2cc3c(cc2n1)C4CC3CN(C4)[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O V098495 c1cnc2cc3c(cc2n1)C4CC3C(=O)NC4 V098500 C[C@H]1[C@@H]([C@@H]([C@H](O1)/C=C/c2cccc(c2CO)OC)O)O V099010 C[C@@H]1[C@H]([C@H]([C@@H](O1)/C=C/c2cccc(c2CO)OC)O)O V099015 c1ccc2c(c1)c(nnc2Nc3ccc(cc3)Cl)Cc4ccncc4 V099500 [2H]c1c(c(c(c(c1Nc2c3ccccc3c(nn2)Cc4ccncc4)[2H])[2H])Cl)[2H] V099502 CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5([C@H]3C[C@@H]([C@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-] V102500 CC(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O V105300 [2H]C([2H])([2H])C(c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O V105302 CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F V118500 [2H]C([2H])([2H])C([2H])([2H])CS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F V118502 CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O V119995 [2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN(C)C)c2ccc(cc2)OC)O)[2H] V119997 CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O.Cl V120000 CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O V120003 Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O V120005 CN(C)C[C@H](c1ccc(cc1)OC)C2(CCCCC2)O V120008 Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN(C)C[C@H](c1ccc(cc1)OC)C2(CCCCC2)O V120010 CN1CC(C2(CCCCC2)OC1)c3ccc(cc3)OC V120015 COc1cc(cc(c1OC)C(=O)NCC2CCCN2CC=C)S(=O)(=O)N V122500 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])C(=O)NCC2CCCN2CC=C)S(=O)(=O)N V122502 CC(C)[C@@](CCC(=O)N(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC V124950 CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl V124990 CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl V124991 [2H]C([2H])([2H])C([C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC)C([2H])([2H])[2H].Cl V124992 [2H]C([2H])([2H])C([C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC)C([2H])([2H])[2H].Cl V124993 CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl V125000 [2H]C([2H])([2H])C(C([2H])([2H])[2H])C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl V125002 CC(C)C(CCC[N+](C)(CCc1ccc(c(c1)OC)OC)CCSS(=O)(=O)C)(C#N)c2ccc(c(c2)OC)OC.[Br-] V125100 CC(C)[C@](CCC(=O)O)(C#N)c1ccc(c(c1)OC)OC V126300 CC(C)[C@](CCC(=O)O)(C#N)c1ccc(c(c1)OC)OC V126305 C[C@@H](c1ccccc1)N.CC(C)[C@](CCC(=O)O)(C#N)c1ccc(c(c1)OC)OC V126310 C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)N(C1)C(=O)OC V126700 Cc1c(ccc2c1C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)[C@H](C)[C@H]5[C@@H](C[C@@H](CN5)C)O V127500 COc1ccc(cc1OC)C(=O)O V127560 C1C[C@H](N(C1)C(=O)CN[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)C#N V305000 [2H][C@]1(CCC(N1C(=O)CN[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)([2H])[2H])C#N V305002 [Li+].C1C[C@H](N(C1)C(=O)CN[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)C(=O)[O-] V305015 C1C[C@H](N(C1)C(=O)CN[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N V305020 CCOc1ccccc1OCC2CNCCO2.Cl V312440 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OCC2CNCCO2.Cl V312442 CCOc1ccccc1OC[C@H]2CNCCO2.Cl V312450 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@H]2CNCCO2.Cl V312452 CCOc1ccccc1OC[C@@H]2CNCCO2.Cl V312455 [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@@H]2CNCCO2.Cl V312457 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O.OS(=O)(=O)O V314000 [2H]C([2H])([2H])C(=O)O[C@@H]1[C@@]2(C=CCN3[C@@H]2[C@@]4(CC3)c5cc(c(cc5N([C@H]4[C@]1(C(=O)OC)O)C)OC)[C@]6(C[C@H]7C[C@](C[N@](C7)CCc8c6[nH]c9c8cccc9)(CC)O)C(=O)OC)CC.OS(=O)(=O)O V314002 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[C@](C[N@](C2)CCc3c1[nH]c4c3cccc4)(CC)O)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C V314003 CC1(C(=O)N(C(=O)O1)c2cc(cc(c2)Cl)Cl)C=C V314050 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@+](C2)(C1)[O-])(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O V314100 CCC(=O)C[C@@H]1C[C@@](c2c(c3ccccc3[nH]2)CCNC1)(c4cc5c(cc4OC)N([C@@H]6[C@]57CCN8[C@H]7[C@@](C=CC8)([C@H]([C@@]6(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC V314240 CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O.OS(=O)(=O)O V314250 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[C@](C[N@](C2)CCc3c1[nH]c4c3cccc4)(CC)O)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O.OS(=O)(=O)O V314252 [2H]C([2H])([2H])C(=O)O[C@@H]1[C@@]2(C=CCN3[C@@H]2[C@@]4(CC3)c5cc(c(cc5N([C@H]4[C@]1(C(=O)OC)O)C=O)OC)[C@]6(C[C@H]7C[C@](C[N@](C7)CCc8c6[nH]c9c8cccc9)(CC)O)C(=O)OC)CC.OS(=O)(=O)O V314253 CC[C@@]12C=CCN3[C@@H]1[C@@]4(CC3)c5cc(c(cc5N([C@H]4[C@]([C@@H]2OC(=O)C)(C(=O)OC)O)C)OC)[C@]6(C[C@@H]7CC(C[N@@](C7)Cc8c6[nH]c9c8cccc9)C(C)(F)F)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O V314500 CC[C@@]12CC=CN3[C@@H]1c4c(c5ccccc5n4C(=C2)COC(=O)c6cc(c(c(c6)OC)OC)OC)CC3 V314800 [2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)OCC2=C[C@@]3(CC=CN4[C@@H]3c5n2c6ccccc6c5CC4)CC V314802 CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O V315000 [2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[N@@](Cc3c1[nH]c4c3cccc4)CC(=C2)CC)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C.C(C(C(=O)O)O)(C(=O)O)O V315002 CC[C@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)OCC)CC3 V332500 [2H]c1c(c(c2c(c1[2H])c3c4n2C(=C[C@@]5([C@@H]4N(CCC5)CC3)CC)C(=O)OCC)[2H])[2H] V332502 C=Cc1ccc2cc3ccccc3cc2c1 V368750 C=Cc1ccc(cc1)C(=O)O V371000 C=COC(=O)N V375000 CC[C@@]1(CC2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)N)O)O)CC)C)C(=O)OC)O.OS(=O)(=O)O V414550 CC[C@@]12C=CCN3[C@@H]1[C@@]4(CC3)c5ccc(cc5N([C@H]4[C@]([C@@H]2OC(=O)C)(C(=O)OC)O)C)OC V416500 CC(C)(c1ccc(cc1)C#CC=C)C(=O)OC V424950 C=Cc1cccc2c1cccc2 V425000 C=Cc1cc2ccccc2c3c1cccc3 V453000 C=Cc1ccccc1O V453300 C=Cc1cccc(c1)O V453305 C=CN1CCCCC1=O V454500 C=Cc1cccnc1 V487500 [2H]c1c(c(c(nc1[2H])[2H])C=C)[2H] V487502 C=CO/N=[N+](/N1CCCC1)\[O-] V500000 Cc1c(c(=O)n2c(n1)CCCC2)C=C V550000 C=Cc1c[nH]c(=O)[nH]c1=O V625000 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3 V670000 [2H]c1c(c(c(c(c1[2H])[2H])C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C)[2H])[2H] V670002 c1nc(nn1[C@H]2[C@H](C([C@H](O2)CO)O)O)C(=N)N.Cl V673000 c1nc(nn1[13C@H]2[13C@H]([13CH]([13C@H](O2)[13CH2]O)O)O)C(=N)N.Cl V673002 CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(C(C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccccc6)C.C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C V673800 C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C V673810 C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C V673812 C[C@@H]1CC[C@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CC[C@]2(C)O V673900 CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)Nc2ccc(c(c2)c3ccccn3)Cl V674700 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C V676000 [2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)(C)C)[2H] V676002 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C(#N)[Co+2] V676020 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)[O-])C.[Na+] V676030 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)[O-])C)C([2H])([2H])[2H].[Na+] V676032 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)C.[Na+] V676035 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)C)C([2H])([2H])[2H].[Na+] V676037 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C V676040 [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H] V676042 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C V676045 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([2H])([2H])[2H] V676047 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C V676050 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C)C([2H])([2H])[2H] V676052 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)[O-])C.[Na+] V676055 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C V676060 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C V676065 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C V676070 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[2H])[2H] V676072 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C V676080 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C V676082 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[2H])[2H] V676083 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C V676090 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[2H])[2H] V676092 CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)c3ccccc3C(=O)C1(O2)C)/C V676100 [2H]c1c(c(c2c(c1[2H])C(=O)C3(C(C2=O)(O3)C([2H])([2H])[2H])C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)[2H])[2H] V676102 CC1=CC(=O)c2ccccc2C1=O V676130 [2H]c1c(c(c2c(c1[2H])C(=O)C(=C(C2=O)C([2H])([2H])[2H])[2H])[2H])[2H] V676132 C[C@H](C/C=C/C=C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C V678500 [2H]C(=C([2H])/C(=C/C[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O)/[2H])[2H] V678502 C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C V680000 C1[C@@H](C([C@H]([C@@H](C1(CO)O)O)O)O)NC(CO)CO V750000 COc1cccc(c1OC)[C@@H](C2CCN(CC2)CCc3ccc(cc3)F)O.Cl V755000 [2H]C([2H])(c1ccc(cc1)F)C([2H])([2H])N2CCC(CC2)[C@H](c3cccc(c3OC)OC)O.Cl V755002 CC(C(=O)NC)S(=O)CCSP(=O)(OC)OC V756500 CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C.OS(=O)(=O)O V758200 [2H]C([2H])([2H])C([2H])([2H])OC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/c4ccc(cn4)c5cccc(c5)F)[C@H](OC3=O)C.OS(=O)(=O)O V758202 C[C@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V759990 C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V760000 [2H]C([2H])([2H])[C@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V760002 [2H][13C]([2H])([2H])[C@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V760003 C[C@H](c1c(cncn1)F)[C@@](Cn2cncn2)(c3ccc(cc3F)F)O V760005 C[C@@H](c1c(c[n+](cn1)[O-])F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V760010 [2H]C([2H])([2H])[C@H](c1c(c[n+](cn1)[O-])F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O V760012 Cc1n(nnn1)/N=C/c2cc(c(cc2)O)C(c3c(ccc(c3)/C=N/n4nnnc4C)O)c5ccc(cc5)O V785000 Cc1n(nnn1)/N=[13CH]/c2cc(c(cc2)O)[13CH](c3c(ccc(c3)/[13CH]=N/n4nnnc4C)O)c5ccc(cc5)O V785002 COC(=O)/C(=C/1\C(=C(C(=O)O1)c2ccccc2)O)/c3ccccc3 V850000 Cc1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc(c3)O)O)C(=O)N4Cc5cnn(c5Nc6c4cccc6)C W498600 COc1ccccc1N2CCN(CC2)CCNc3ccccn3 W498610 COc1ccccc1N2CCN(CC2)CCN(c3ccccn3)C(=O)C4CCCCC4 W498650 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(=O)N(CCN2CCN(CC2)c3ccccc3OC)c4ccccn4)([2H])[2H])([2H])[2H])[2H] W498652 c1cc(c(c(c1)C(=O)C(=O)[O-])N)C(=O)c2ccc(cc2)Br.[Na+] W498700 c1cc(ccc1P(c2ccc(cc2)S(=O)(=O)[O-])(c3ccc(cc3)S(=O)(=O)[O-])[Rh+](P(c4ccc(cc4)S(=O)(=O)[O-])(c5ccc(cc5)S(=O)(=O)[O-])c6ccc(cc6)S(=O)(=O)[O-])P(c7ccc(cc7)S(=O)(=O)[O-])(c8ccc(cc8)S(=O)(=O)[O-])c9ccc(cc9)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cl-] W498800 Cc1c(c2cccc3c2n1C(CO3)CN4CCOCC4)C(=O)c5cccc6c5cccc6.C=C W498850 C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C W498900 CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO W499200 c1cc(ccc1n2nc(n[n+]2c3ccc(cc3)I)c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+] W500000 C[C@H]1CCC[C@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O Z346005 C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)C(=O)[C@H](CCSC)NN[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)C(=O)[C@H](CO)NN[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)C(=O)CNN[C@@H](CCCCN)C(=O)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NN)O.CC(=O)O Z385000 CC(c1cc2ccccc2s1)N(C(=O)N)O Z420000 [2H]C([2H])([2H])C([2H])(c1cc2ccccc2s1)N(C(=O)N)O Z420002 CC(c1cc2ccccc2s1)N(C(=O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Z420010 CC(c1cc2ccccc2s1=O)N(C(=O)N)O Z420020 CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O Z430000 [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O Z430002 CN(C)C/C=C(/c1ccc(cc1)Br)\c2cccnc2 Z435000 [2H]C([2H])([2H])N(C/C=C(/c1ccc(cc1)Br)\c2cccnc2)C([2H])([2H])[2H] Z435002 C([C@@H](C(=O)[O-])N)[S-].Cl.[Zn+2] Z439600 [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn+2] Z439800 c1ccc(c(c1)c2c3cc(c(c(c3oc-4c(c(=O)c(cc24)Cl)C[NH+](Cc5ccccn5)Cc6ccccn6)C[NH+](Cc7ccccn7)Cc8ccccn8)[O-])Cl)C(=O)[O-] Z440000 c1ccc(c(c1)CN(Cc2ccccn2)Cc3ccccn3)NCc4c(ccc5c4oc-6cc(=O)c(cc6c5c7ccccc7C(=O)O)Cl)O Z440020 CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)C Z450000 c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc(c(cc4Cl)N)CC(=O)O Z484995 c1cc(ccc1n2nc(n[n+]2c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+] W500010 COc1cc(ccc1n2nc(n[n+]2c3nc4ccccc4s3)c5ccc(cc5)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])c6ccc(c(c6)OC)n7nc(n[n+]7c8nc9ccccc9s8)c1ccc(cc1)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+] W500020 COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+] W500035 COC(=O)Nc1ccc(cc1)c2nc3c(cnn3C4CCN(CC4)C(=O)OC)c(n2)N5CCOCC5 W950000 [2H]C([2H])([2H])OC(=O)Nc1ccc(cc1)c2nc3c(cnn3C4CCN(CC4)C(=O)OC)c(n2)N5CCOCC5 W950002 c1[nH]c2c(n1)[nH]c(=O)[nH]c2=O X499950 CC(CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-] X500000 [2H]C([2H])([2H])C(CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-] X500002 C[C@H](CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-] X500005 C[C@@H](CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-] X500010 CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C X742000 [2H]C([2H])([2H])\C(=C/C=C/C=C(/C=C/C=C(\C)/C=C/C1=C(CC(CC1(C)C)O)C)\C([2H])([2H])[2H])\C=C\C=C(/C)\C=C\C2C(=CC(CC2(C)C)O)C X742002 c1nc2c(n1[C@H]3C([C@H]([C@H](O3)CO)O)O)[nH]c(=O)[nH]c2=O X742100 c1cc(=O)oc2c1cc3ccoc3c2O X742500 c1cc2c(cc(nc2c(c1)O)C(=O)O)O X743500 [2H]c1c(c2c(c(c1[2H])O)nc(c(c2O)[2H])C(=O)O)[2H] X743502 c1ccc2c(c1)C(c3ccccc3O2)O X743650 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)[nH]c(=O)[nH]c2=O.[Na+].[Na+] X743800 c1cc(ccc1c2[nH]c3c(c(=O)n2)CSCC3)C(F)(F)F X744000 CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C(=N)NO X745000 [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C(=N)NO)NCC(=O)OCC)([2H])[2H])([2H])[2H])[2H] X745002 CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N X745015 Cc1cccc(c1NC(=O)c2cc(c(cc2O)Cl)S(=O)(=O)N)C X745150 [2H]C([2H])([2H])c1cccc(c1NC(=O)c2cc(c(cc2O)Cl)S(=O)(=O)N)C([2H])([2H])[2H] X745152 c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@H]4CCCCN4)O X746245 c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O X746250 Cc1cccc(c1NC2=NCCCS2)C.Cl X748000 [2H]C([2H])([2H])c1cccc(c1NC2=NCCCS2)C([2H])([2H])[2H].Cl X748002 Cc1cc(cc(c1CC2=NCCN2)C)C(C)(C)C.Cl X749950 C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O.O X750000 Cc1cc(c(cc1C)/N=N/c2ccccc2)NC[C@@H]([C@@H]([C@@H](CO)O)O)O X750500 C[C@@H](N)[C@H]1CCC(CC1)C(=O)Nc2ccncc2.O Y100500 [2H]c1c(c(c(nc1[2H])[2H])[2H])NC(=O)C2CC[C@@H](CC2)[C@H](N)C.O Y100502 COc1ccc(cc1)/C=C/c2cc(cc(=O)o2)OC Y100550 CC(=N)N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)CC(=O)O Y100575 [2H]C([2H])([2H])C(=N)N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)C(=N)N)S(=O)(=O)CC(=O)O Y100577 [HH].COc1cc2c(cc1OC)CN(CC2)C(=O)[C@@H]3CCCN(C3)CCNC(=O)c4ccc(cc4)F.OOP(=O)=O Y100600 COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3c4c(c5ccccc5[nH]4)CCN3C2)O.Cl Y100800 Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C Z125000 [2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C)[2H])[2H] Z125002 Cc1cccc(c1)S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C Z125010 [2H]c1c(c(c(c(c1[2H])S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C)[2H])C([2H])([2H])[2H])[2H] Z125012 Cc1ccc(cc1)S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C Z125015 [2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])[2H])S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C)[2H] Z125017 c1cn(c(=O)nc1N)[C@H]2CC[C@H](O2)CO Z140000 CCN(c1cccc(c1)c2ccnc3n2ncc3C#N)C(=O)C Z145000 [2H]C([2H])([2H])C([2H])([2H])N(c1cccc(c1)c2ccnc3n2ncc3C#N)C(=O)C Z145002 CC(c1ccc2c(c1)CC(=O)c3ccccc3S2)C(=O)O Z146000 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)NC(=N)N Z148000 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N[13C](=[15NH])[15NH2] Z148002 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N Z148005 CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)N Z148010 CC(=O)N[C@@H]1[C@@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)OC)N=[N+]=[N-] Z148030 CC(=O)N[C@@H]1[C@@H](C=C(O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)N=[N+]=[N-] Z148040 CCCOc1ccccc1c2[nH]c(=O)c3c(n2)[nH]nn3 Z150000 [2H]C1(CCC(=O)CCCCCc2cc(cc(c2C(=O)OC1([2H])C([2H])([2H])[2H])O)O)[2H] Z270442 C[C@H]1CCCC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)O Z270450 [2H]C1(CC/C=C/c2cc(cc(c2C(=O)O[C@H](CCC(C1([2H])O)([2H])[2H])C)O)O)[2H] Z270462 C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O Z270470 [2H]c1c\2c(c(c(c1O)[2H])O)C(=O)O[C@H](CCC([C@](C(CC/C=C2)([2H])[2H])([2H])O)([2H])[2H])C Z270472 C[C@H]1CCC[C@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O Z270475 [2H]c1c\2c(c(c(c1O)[2H])O)C(=O)O[C@H](CCC([C@@](C(CC/C=C2)([2H])[2H])([2H])O)([2H])[2H])C Z270477 C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O Z270500 [2H]C1(CCC(=O)CCC/C=C/c2cc(cc(c2C(=O)OC1([2H])C([2H])([2H])[2H])O)O)[2H] Z270502 C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Z270510 C/C(=C\CNc1c2c(nc[nH]2)ncn1)/CO Z273000 [2H]C([2H])(/C=[13C](\C)/CO)Nc1c2c(nc[nH]2)ncn1 Z273002 c1cnc(=O)n(c1)[C@H]2C([C@H]([C@H](O2)CO)O)O Z276000 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] Z343000 [2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCC)[2H])[2H].[Cl-] Z343002 C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O Z346000 [2H]C1(CCCCc2cc(cc(c2C(=O)O[C@H](CCC(C1([2H])O)([2H])[2H])C)O)O)[2H] Z346002 c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5.O.Cl Z485000 [2H]C1(C(N(C(C(N1CCc2cc3c(cc2Cl)NC(=O)C3)([2H])[2H])([2H])[2H])c4c5ccccc5sn4)([2H])[2H])[2H] Z485002 c1ccc2c(c1)C(=NS2(=O)=O)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5.Cl Z485010 c1ccc2c(c1)c(ns2=O)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5 Z485015 c1cc(ccc1OC[C@H](/C=C/C#C/C=C/C=C/[C@H]([C@H](COCC(=O)[O-])O)O)O)F.[Na+] Z485900 C[C@H]1[C@@H](C(=NC1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C.C[C@@H]1C(NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O Z486500 Cc1ccc(cc1NC(=O)c2ccc(cc2)O)NC(=O)c3cccc(c3)N(C)C Z486600 COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5 Z487000 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N Z584000 C[C@H](CSC(=O)c1ccccc1)C(=O)N2C[C@H](C[C@@H]2C(=O)[O-])Sc3ccccc3.[Ca+2] Z587000 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@@H](N(C2)C(=O)[C@H](C)CSC(=O)c3ccccc3)C(=O)[O-])[2H])[2H].[Ca+2] Z587002 C[C@H](CSC(=O)c1ccccc1)C(=O)N2C[C@H](C[C@@H]2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Sc4ccccc4 Z587010 C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)[O-])Sc2ccccc2.[Na+] Z587050 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@H](N(C2)C(=O)[C@H](C)CS)C(=O)O)[2H])[2H] Z587052 C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Sc3ccccc3 Z587055 CCN1C(=O)CC(C1=O)SC[C@@H](C)C(=O)N2C[C@H](C[C@H]2C(=O)O)Sc3ccccc3 Z587060 [2H]c1c(c(c(c(c1[2H])[2H])S[C@H]2C[C@H](N(C2)C(=O)[C@H](C)CSC3CC(=O)N(C3=O)CC)C(=O)O)[2H])[2H] Z587062 Cc1c2c(n(n1)C)N(C(=O)CN=C2c3ccccc3F)C Z613500 [2H]C([2H])([2H])N1c2c(c(nn2C)C)C(=NCC1=O)c3ccccc3F Z613502 c1cn(cn1)CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] Z623500 c1c[15n](c[15n]1)[13CH2][13C](O)(P(=O)(O)O)P(=O)(O)O Z623502 CN(C)CCc1c[nH]c2c1cc(cc2)CC3COC(=O)N3 Z639000 [2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3)C([2H])([2H])[2H] Z639002 C[N+](C)(CCc1c[nH]c2c1cc(cc2)CC3COC(=O)N3)[O-] Z639010 [2H]C([2H])([2H])[N+](CCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3)(C([2H])([2H])[2H])[O-] Z639012 CCOC(=O)c1c(c2cc(ccc2[nH]1)C[C@H]3COC(=O)N3)CCN(C)C.Cl Z639015 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C Z650000 [2H]C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)C)c3ccc(cc3)C)C([2H])([2H])[2H] Z650002 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C(=O)O)CC(=O)N(C)C Z650010 [2H]C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)C(=O)O)c3ccc(cc3)C)C([2H])([2H])[2H] Z650012 Cc1ccc2nc(c(n2c1)CC(=O)N(C)C)c3ccc(cc3)C(=O)O Z650015 [2H]C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)C)c3ccc(cc3)C(=O)O)C([2H])([2H])[2H] Z650017 CCOC(=O)c1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C Z650020 [2H]C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)C)c3ccc(cc3)C(=O)OCC)C([2H])([2H])[2H] Z650022 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C(=O)OC)CC(=O)N(C)C Z650025 [2H]C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)C(=O)OC)c3ccc(cc3)C)C([2H])([2H])[2H] Z650027 Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)C=O Z650030 [2H]c1c(c2nc(c(n2c(c1C([2H])([2H])[2H])[2H])C=O)c3ccc(cc3)C)[2H] Z650032 Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)[O-].[Na+] Z675000 Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O Z675010 c1ccc2c(c1)c(no2)CS(=O)(=O)N Z700000 [2H]c1c(c(c2c(c1[2H])c(no2)CS(=O)(=O)N)[2H])[2H] Z700002 c1ccc2c(c1)c(no2)CS(=O)(=O)NCCCCCC(=O)O Z700010 CN(C)/C=N/S(=O)(=O)Cc1c2ccccc2on1 Z700015 CN1CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl Z700500 [2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])[2H] Z700502 C[N+]1(CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)[O-] Z700510 [2H]C1(C([N+](C(C(N1C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])([2H])[2H])(C)[O-])([2H])[2H])[2H] Z700512 C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)n5cnnn5)C)/C)O)OC)C)C)/C)OC Z700800 [2H]C([2H])([2H])O[C@@H]\1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)n5cnnn5)O)C Z700802 c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)N5CCN(CC5)C[C@H](COc6cccc7c6cccn7)O Z700870 [2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cccn2)O)N3CCN(CC3)[C@@H]4c5ccccc5[C@@H]6[C@@H](C6(F)F)c7c4cccc7 Z700872 CCC(C)(C(=O)CCl)NC(=O)c1cc(c(c(c1)Cl)C)Cl Z700920 [2H]c1c(c(c(c(c1Cl)C([2H])([2H])[2H])Cl)[2H])C(=O)NC(C)(CC)C(=O)CCl Z700922 c1cc2c(cc1Cl)nc(o2)N Z700950 [2H]c1cc2c(c(c1Cl)[2H])nc(o2)N Z700952 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)Cl.CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C Z701497 c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCO)/c4cc(ccc4S2)Cl.C(CC(=O)O)C(=O)O Z701500 [2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)Cl.C(CC(=O)O)C(=O)O Z701502