B(c1ccncc1)(O)O K1270 CC(=O)Nc1ccc(c2c1cccc2)N K299 CC(=O)Nc1cnoc1 K317 Cc1cccnc1NC(=O)C K142 Cc1ccnc(c1)NC(=O)C K138 Cc1ccncc1NC(=O)C K145 Cc1ccc(nc1)NC(=O)C K144 Cc1cccc(n1)NC(=O)C K143 B(c1cccc(c1)NC(=O)C)(O)O K1237 B(c1ccc(cc1)NC(=O)C)(O)O K1234 CC(=O)c1ccc(c(c1)F)C#N K547 CC1CN(CC(N1)C)C(=O)C K697 CC(=O)Nc1ccc(c2c1cccc2)[N+](=O)[O-] K298 CC(=O)N(c1ccccc1F)C(=O)C K244 CC(=O)N1CSCC1C(=O)O K1147 CC(=O)Nc1ccccc1C(=O)O K819 COC(=O)C12CC3CC(C1)CC(C3)C2 K159 C1C2CC3CC1CC(C2)(C3)CC(=O)O K993 C1C2CC3CC1CC(C2)(C3)CC#N K994 C1C2CC3CC1CC(C2)(C3)C(=O)N K723 C1C2CC3CC1CC(C2)(C3)C(=O)N K996 C1C2CC3(CC1CC(C2)(C3)CC(=O)O)CC(=O)O K997 C1C2CC3(CC1CC(C2)(C3)C(=O)O)CC(=O)O K998 C1C2CC3(CC1CC(C2)(C3)CCO)CCO K999 C1C2CC3(CC1CC(C2)(C3)CO)CO K1000 C1C2CC3CC1CC(C2)(C3)CCO K1001 C1C2CC3CC1CC(C2)(C3)CO K1002 C1C2CC3CC1CC(C2)(C3)CN K158 C1C2CC3CC1CC(C2)(C3)C[NH3+].[Cl-] K1003 C1C2CC3CC1CC(C2)(C3)S K1004 C1C2CC3CC(C2)(CC1C3=O)C(=O)O K1005 c1cc(c(cc1Br)C23CC4CC(C2)CC(C4)C3)O K1006 Cc1ccc(c(c1)C23CC4CC(C2)CC(C4)C3)O K1007 c1cc(ccc1C23CC4CC(C2)CC(C4)C3)O K1008 CC(C)(C1C2CC3CC(C2)CC1C3)O K1009 C[C@@H](C(=O)OCC=C)O K212 C=CCOc1ccc(cc1)CCC(=O)O K410 CC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br K1126 C/C(=N\c1ccc(cc1)NC(=O)COC)/N(C)C K718 c1ccc(cc1)c2c(c([nH]c(=O)c2C#N)N)C#N K661 c1cc(nc2c1ccc(=O)[nH]2)N.OS(=O)(=O)O K477 C1C2CC3(CC1CC(C2)(C3)O)N K1010 CC(C)(C)OC(=O)N1CCC(CC1)N K1132 c1c[nH]c2c1[nH]c(nc2=O)N K444 c1cnc(c(c1N)[N+](=O)[O-])Cl K394 CC(=O)Nc1ccc(cc1OC)N K77 c1c(cc(c(c1C=O)N)Br)Br K1389 CCC(=O)c1ccc(c(c1)Br)N K525 COc1cc(ccc1N)NS(=O)(=O)C K75 Cn1c(=O)cc([nH]c1=O)N K424 c1cc(c(cc1C(=O)N)[N+](=O)[O-])N K269 c1ccc(cc1)C(CCO)CN K539 c1cc(c(cc1Cl)N)CO K385 c1cc(c2c(c1)sc(n2)N)F K743 CC(=O)NCCc1ccc(c(c1)N)OC.Cl K485 COc1ccc(c(c1)N)O K657 c1c(cnc(c1CO)N)Br K1334 c1c(c(ncn1)N)C#N K713 COc1cc(c(c(c1)Br)O)N K07 c1cc(nc(c1)Br)N K645 c1ccc(cc1)c2c(c(nc(c2C#N)Cl)N)C#N K660 c1cc(nc(c1)Cl)N K231 c1cc(nc(c1)[N+](=O)[O-])N K79 c1nc(c2c(n1)n(cn2)CCO)N K459 CC(C)(c1cccc(c1)N)N K363 CC(C)(c1ccccc1N)N K207 CC(C)(C)OC(=O)NCc1ccccc1N K1120 CC(C)(C)OC(=O)NCc1cccc(c1)N K1116 CC(C)(C)OC(=O)N1CCCCC1CCN K1113 CC(C)(C)OC(=O)N1CCCC(C1)CCN K1112 c1cc(c(nc1)N)CO K1335 c1ccc2c(c1)cc3cc(ccc3n2)N K239 c1ccc2c(c1)cc3cccc(c3n2)N K238 B(c1ccccc1C(=O)N)(O)O K1159 B(c1cccc(c1)C(=O)N)(O)O K1299 c1ccc(c(c1)CCN)C(=O)O.Cl K418 c1cc2c(cc1N)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O K1045 c1cc2c(cc1N)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O K1046 c1cc(c[n+](c1)[O-])CN.Cl K550 c1c(cc(cc1O)O)CN.Br K951 c1ccc(c(c1)CN)O K155 c1cc(cc(c1)O)CN K163 c1ccc(c(c1)CN)N2CCC(CC2)CO K468 c1cc(ccc1CN2CCOC(C2)CN)F K1356 CC(C)(C)OC(=O)N1CCC(CC1)(CN)c2ccccc2 K1121 CC(C)(C)OC(=O)Nc1cccc(c1)CN K1117 B(c1cccc(c1)CN)(O)O.Cl K1300 CCCCC(CCCC)(c1ccccc1N)N K841 C/C(=N\c1ccc(cc1)N)/N(C)C K719 B(c1cccc(c1)N)(O)O K1267 B(c1cccc(c1)N)(O)O.O K1283 B(c1cccc(c1)N)(O)O.Cl K1207 CC(C)(c1ccc(cc1)N)N K364 c1cc(nnc1)N K1428 c1cnncc1N K548 c1c(c(ncn1)N)C=O K712 c1ccc(cc1)NC(=O)c2ccccc2C(=O)O K591 C1CC2CC1CNC2.Cl K1134 CCOC(=O)N1CC(=O)C2(C1)CC2 K404 CNC(=O)c1cccc(c1)O K308 CCNC(=O)c1cccc(c1)O K315 c1ccc(cc1)C(c2ccccc2)n3ccnc3 K446 c1cc2c(cc1C(=O)N)nc[nH]2 K328 c1cc2c(cc1C(=O)O)[nH]c(=S)[nH]2 K313 CCOC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2 K316 COC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2 K314 COC(=O)c1c2ccc(cc2on1)[N+](=O)[O-] K407 B(c1cc2ccccc2s1)(O)O K1200 B(c1cc2ccccc2o1)(O)O K1201 CCOC(=O)c1cc2ccccc2o1 K57 c1cc2c(c(c1)O)nc[nH]2 K559 c1ccc2c(c1)nc(s2)c3cccc(c3)O K347 c1ccc2c(c1)nc(s2)c3ccc(cc3)O K348 c1ccc(c(c1)c2nc3ccccc3s2)N K343 c1ccc2c(c1)nc(s2)c3cccc(c3)N K344 c1ccc2c(c1)nc(s2)c3ccc(cc3)N K345 c1cc2c(cc1N)sc(n2)c3ccncc3 K349 c1ccc(c(c1)c2nc3ccccc3s2)Br K356 c1ccc(c(c1)c2nc3ccccc3s2)F K350 COc1ccc(cc1OC)c2nc3c(cccc3s2)F K359 COc1ccc(cc1OC)c2nc3ccc(cc3s2)F K360 c1ccc2c(c1)nc(s2)c3ccc(cc3)F K352 CC1(Nc2cc(ccc2CO1)Cl)C K384 c1ccc(cc1)COC(=O)N2CCCC(C2)CO K03 c1ccc(cc1)COC(=O)N2CCCC(C2)C=O K04 CC(C)(C(=O)N1CCN(CC1)C(=O)OCc2ccccc2)O K834 CC(C)(CO)C(=O)N1CCN(CC1)C(=O)OCc2ccccc2 K836 c1ccc(cc1)COC(=O)N2CCN(CC2)C(=O)[C@H]3CCCO3 K835 CCOC(=O)C1CCCN(C1)C(=O)OCc2ccccc2 K02 c1ccc(cc1)CN2CCC(=CC2)c3ccccc3 K615 CC(C)n1cnc2c1nc(nc2NCc3ccccc3)Cl K506 c1ccc(cc1)CNc2c3c([nH]cn3)nc(n2)Cl K507 c1ccc(cc1)CN2CCC(=CC2)c3cccc(c3)F K544 c1ccc(cc1)CN2CCC(CC2)(c3cccc(c3)F)O K543 c1ccc(cc1)CN2CCC(=CC2)c3ccc(cc3)F K617 c1ccc(cc1)CN2CCC(CC2)(c3ccc(cc3)F)O K616 c1ccc(cc1)Cc2ccc(cc2)Br K177 c1ccc(cc1)CN2CCN(CC2)c3ccccc3 K156 c1ccc(cc1)CN2CCC(CC2)(c3ccccc3)O K618 c1ccc(cc1)Cc2ccc(cc2)C=O K178 c1ccc(cc1)COc2cc(ccc2N)[N+](=O)[O-] K429 c1ccc(cc1)COc2ccccc2CCO K433 c1ccc(cc1)COc2ccc(cc2)CCC(=O)O K411 c1ccc(cc1)COc2ccccn2 K492 c1ccc(cc1)COCCI K513 B(c1ccc(c(c1)F)OCc2ccccc2)(O)O K1179 c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)C=O K1384 B(c1cccc(c1)C(=O)OCc2ccccc2)(O)O K1176 B(c1ccc(cc1)C(=O)OCc2ccccc2)(O)O K1177 c1ccc(cc1)COCCO K611 B(c1ccccc1OCc2ccccc2)(O)O K1174 B(c1cccc(c1)OCc2ccccc2)(O)O K1175 B(c1ccc(cc1)OCc2ccccc2)(O)O K1178 CCCCC(c1ccc(cc1)Cc2ccccc2)O K514 B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)Cc3ccccc3 K1323 B(c1cccc(c1)c2ccccc2)(O)O K1208 B(c1ccc(cc1)c2ccccc2)(O)O K1305 c1ccc(cc1)c2ccc(cc2)n3ccnc3 K445 c1cnc(cc1C(=O)O)c2cc(ccn2)C(=O)O K405 c1c(cc(cc1C(F)(F)F)C(F)(F)F)C=O K1379 c1c(cc(cc1C(F)(F)F)C(F)(F)F)CBr K1354 c1c(cc(cc1C(F)(F)F)C(F)(F)F)CCl K1346 B(c1ccc(cc1C(F)(F)F)C(F)(F)F)(O)O K1255 B(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(O)O K1241 C#CC(c1ccc(cc1)F)(c2ccc(cc2)F)O K213 CC(C)(C)OC(=O)NCc1cccnc1 K570 CC(C)(C)OC(=O)N1CCN(CC1)CCN K1098 CC(C)(C)OC(=O)N1CCC(CC1)CO K1355 Cc1cccnc1NC(=O)OC(C)(C)C K141 Cc1ccnc(c1)NC(=O)OC(C)(C)C K140 Cc1ccc(nc1)NC(=O)OC(C)(C)C K147 Cc1cccc(n1)NC(=O)OC(C)(C)C K146 CC(C)(C)OC(=O)Nc1ccccn1 K149 CC(C)(C)OC(=O)Nc1cccnc1 K150 CC(C)(C)OC(=O)Nc1ccncc1 K151 CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)O K160 B(c1ccccc1NC(=O)OC(C)(C)C)(O)O K1294 B(c1cccc(c1)NC(=O)OC(C)(C)C)(O)O K1293 CC(C)(C)OC(=O)N1CCC[C@@H]1CO K1140 CC(C)(C)OC(=O)NCC(=O)N K1130 C[C@@H](CO)NC(=O)OC(C)(C)C K1138 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N K1129 CC(C)(C)OC(=O)N1CCC[C@H]1CO K1124 CC(C)(C)OC(=O)N1CCN2CCNCC2C1 K1122 CC(C)(C)OC(=O)N1CCNCC1 K301 CC(C)(C)OC(=O)N1CCCCC1C(=O)N K1128 B(c1cccn1C(=O)OC(C)(C)C)(O)O K1304 CC(C)(C)OC(=O)N1CCC(C1)C=O K1398 CC(OC(=O)NC[C@H]1CC[C@@H](CC1)C(=O)O)(C)C K1118 B(c1ccsc1C(=O)O)(O)O K171 c1cc2c(cc1Br)CCC(=O)N2 K1148 c1cc2c(cc1Br)[nH]c(=O)[nH]2 K673 c1cc2c(cc1Br)[nH]c(=S)[nH]2 K311 c1cc(c(cc1[N+](=O)[O-])C(=O)CBr)O K226 c1ccc(cc1)S(=O)(=O)n2ccc3c2nccc3Br K664 Cc1ccc(cc1)S(=O)(=O)n2ccc3c2nccc3Br K665 c1cc2c(cc1Br)nc[nH]2 K106 c1cc(=O)[nH]c2c1cc(cc2)Br K1153 Cc1ccc(cc1)S(=O)(=O)N2CCC(=O)c3c2cc(cc3)Br K729 c1cc2c(cc1Br)NCCC2=O K730 c1c2c(c(s1)Br)OCCO2 K199 C1C2CC3CC(C2)(CC1C3=O)Br K1013 c1cc2c(cc1Br)nc([nH]2)Cl K674 c1cc(nc2c1cc(cc2)Br)Cl K1149 c1cc(c(cc1Br)F)C=O K1388 CC(C)(c1ccc(cc1F)Br)N K1044 c1cc(oc1C=O)Br K1392 COc1ccc2cc(ccc2n1)Br K1150 Cc1[nH]c2ccc(cc2n1)Br K107 Cc1ccc(cc1C=O)Br K1365 CC(C)(C(=O)N)Br K493 c1cc(c(cc1Br)[N+](=O)[O-])N K104 CC(=O)Nc1c(cc(c(c1[N+](=O)[O-])F)F)Br K986 c1c(cc2c(c1[N+](=O)[O-])NCCO2)Br K622 Cc1c(ccc(c1OC)OC)Br K481 COc1cc(cc(c1Br)OC)C=O K1371 COC(COc1cccc(c1)Br)OC K746 CCOCCCBr K504 c1cc(c(cc1C=O)F)Br K1367 Cn1c2c(c(=O)[nH]c1=O)[nH]c(n2)Br K647 c1c(cncc1Br)C=O K1361 c1c(c(cc(c1F)F)Br)N K985 CC(=O)Nc1cc(c(cc1Br)F)F K415 c1cc(c(cc1C(F)(F)F)Br)C(=O)O K437 c1cncc(c1C#N)Br K330 c1cc(c(cc1F)Br)C=O K1400 c1cc(c(cc1C=O)Br)F K1397 c1cc(c(cc1[N+](=O)[O-])Br)F K1145 COc1cc(c(c(c1)Br)O)[N+](=O)[O-] K10 COCCCCBr K773 C[Si](C)(C)c1cc(cnc1)Br K693 c1ccc(cc1)c2c(nn[nH]2)Br K724 c1cc(nc(c1)Br)CO K1344 c1cc(nc(c1)I)Br K646 COc1cccc(n1)Br K515 Cc1cc2cccnc2c(c1)Br K488 c1cc(c(c(c1)Br)N)[N+](=O)[O-] K815 c1cc(nc(c1)Br)[N+](=O)[O-] K878 c1ccc(cc1)c2cccc(n2)Br K640 C1COc2c(c(sc2Br)c3c4c(c(s3)Br)OCCO4)O1 K198 c1c[nH]c2c1c(ccn2)Br K663 CN1CCC(CC1)Br K283 c1ccc(cc1)NC(=O)CCBr K502 CC(=O)c1ccc(cn1)Br K687 C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)O K1011 C1C2CC3(CC1CC(C2)(C3)Br)C(=O)O K1012 c1ccc(c(c1)C(=O)Nc2cccc(c2)Br)C(=O)O K588 c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)C(=O)O K589 c1cc(c(c(c1)Br)N)N K814 c1cc2c(cco2)c(c1)Br K710 c1cc(cc2c1cco2)Br K711 CN1CCN(CC1)CCBr.Br.Br K949 CCN(CC)CCCCCCBr.Cl K633 c1ccc2c(c1)C(=O)N(C2=O)CCCCCCBr K131 c1cc(ccc1CBr)C(=O)O K1353 c1ccc2c(c1)cccc2CBr K278 C1C2CC3CC1CC(C2)(C3)CBr K1014 B(c1ccccc1CBr)(O)O K1292 c1cc(ccc1C(CC(=O)O)C#N)Br K538 Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)Br K733 c1ccc(c(c1)c2nc3cc(cc(c3o2)[N+](=O)[O-])Cl)Br K957 c1ccc2c(c1)nc(s2)c3ccc(cc3)Br K358 Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)O)c2cccc(c2)Br K728 CC(=O)Nc1ccccc1Br K799 c1ccc(c(c1)C(=O)Nc2ccccc2Br)C(=O)O K587 c1ccc2c(c1)nc(s2)c3cccc(c3)Br K357 B(c1cccc(c1)Br)(O)O K1301 c1cc(nc(c1)Br)C=O K1410 c1c(c(=O)nc[nH]1)Br K464 c1ccc2c(c1)c(ccn2)Br K623 c1cc2c(cc1Br)nccn2 K595 CC(C)(C)OC(=O)Nc1ccc(s1)Br K520 c1c(csc1C=O)Br K1378 CCCCS(=O)(=O)N K561 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CCN(CC2)C(=O)OC(C)(C)C K1415 CC(C)(C)OC(=O)N1CCC(C1)C(=O)O K1109 CC(C)(C)OC(=O)NCc1ccc(cc1)C(=O)O K1115 CC(C)(C)OC(=O)NCCN1CC(CC1=O)C(=O)O K1099 B(c1cccc(c1)C(=O)OC(C)(C)C)(O)O K1227 CCCCOc1ccc(cc1)CCC(=O)O K408 CCOC(=O)C1(CC1)CNC(=O)OC(C)(C)C K511 CCN1CCCC1CNC(=O)OC(C)(C)C K32 CC(C)(C)OC(=O)NCCO K109 CC(C)(C)OC(=O)NCCCO K111 CC(C)(C)OC(=O)NCCCCCO K26 CC(C)(C)OC(=O)NCCCCCCCCCCN K62 CC(C)(C)OC(=O)NCCCCCCCCCCCCN K64 CC(C)(C)OC(=O)N1CCCCC1CN K1110 CCCCNCCNC(=O)OC(C)(C)C K576 CCNCCNC(=O)OC(C)(C)C K331 CC(C)(C)OC(=O)NCCNC K332 CCCNCCNC(=O)OC(C)(C)C K575 CC(C)(C)OC(=O)Nc1ccccc1C#N K175 CCc1cccc(c1NC(=O)OC(C)(C)C)OC K243 CC(C)(C)OC(=O)Nc1ccccc1OC K259 CC(C)(C)OC(=O)Nc1ccnc(c1)[N+](=O)[O-] K739 CC(C)(C)OC(=O)NCCCN(C)C K578 CCNCCCNC(=O)OC(C)(C)C K117 CC(C)(C)OC(=O)NCCCNC K577 CCC(C)OC(=O)C=C(C)C K498 CC(C)(C)OC(=O)Nc1c(cccn1)[N+](=O)[O-] K832 CC(C)(C)OC(=O)N1CCN(CC1)C(C)(C)C#C K946 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)F)C(C)(C)N K1405 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(c(c2)F)C#N K1401 CC(C)(C)OC(=O)Nc1ccc(c(c1)OC)C(=O)OC K120 CC(c1cc(ccc1NC(=O)OC(C)(C)C)F)O K22 B1(OCC(CO1)(C)C)c2cc(ccc2NC(=O)OC(C)(C)C)F K20 CC(C)(C)OC(=O)Nc1ccc(cc1C=O)F K21 CC(C)(C)OC(=O)Nc1ccc(cc1)F K11 CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2 K130 CCCCOC(=O)c1nnc(o1)c2ccc(cc2)Cl K518 CCNCCCCCNC(=O)OC(C)(C)C K28 CC(C)(C)OC(=O)Nc1cccc(n1)[N+](=O)[O-] K735 CC(C)(C)OC(=O)Nc1ccc(nc1)[N+](=O)[O-] K751 CC(C)(C)OC(=O)NCCCCCCCN K59 CC(C)(C)OC(=O)NCCCCCCCCN K60 CC(C)(C)OC(=O)NCCCCCCCCCN K61 Cc1ccc(cc1)S(=O)(=O)OCCNC(=O)OC(C)(C)C K110 Cc1ccc(cc1)S(=O)(=O)OCCCNC(=O)OC(C)(C)C K112 Cc1ccc(cc1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C K27 CC(C)(C)c1ccc(cc1)C=O K1368 CCCCOc1ccc(cc1)OCCCC K1055 B(c1ccc(cc1)C(C)(C)C)(O)O K1307 CC(C)(C)N1CCC(=O)CC1 K263 CC(C)(C)OC(=O)Nc1c(cccn1)N K699 CC(C)(C)OC(=O)Nc1ccncc1N K696 CC(C)(C)OC(=O)NCCCCCCCCNC(=O)OC(C)(C)C K732 CC(C)(C)OC(=O)NCc1ccc[n+](c1)[O-] K666 CC(C)(C)OC(=O)NCCN(C)C K333 CC(C)(C)NCCCNC(=O)OC(C)(C)C K980 c1cc(nc(c1)C(=O)O)C(=O)N K786 B(c1ccc(cc1Cl)C(=O)O)(O)O K1192 B(c1ccc(cc1[N+](=O)[O-])C(=O)O)(O)O K1182 CC(C)(C)OC(=O)N1CCC(CC1)N2CC(CC2=O)C(=O)O K1100 B(c1ccc(c(c1)Cl)C(=O)O)(O)O K1187 B(c1ccc(c(c1)F)C(=O)O)(O)O K1276 CC(C)(C)OC(=O)N1CCCC(C1)CCC(=O)O K1108 CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O K1107 c1ccc(c(c1)C(=O)Nc2ccccc2C(=O)O)C(=O)O K533 c1ccc(c(c1)C(=O)Nc2cccc(c2)C(=O)O)C(=O)O K540 CC(C)(C)OC(=O)N1CCCCC1CC(=O)O K1105 CC(C)(C)OC(=O)N1CCCC(C1)CC(=O)O K1104 C1C2CC3(CC1CC(C2)(C3)C(=O)O)CC(=O)O K1016 c1ccc(c(c1)C(=O)Nc2ccc(cc2)C(=O)O)C(=O)O K534 B(c1ccccc1C(=O)O)(O)O K1253 B(c1cccc(c1)C(=O)O)(O)O K1225 B(c1ccc(cc1)C(=O)O)(O)O K1226 c1cc(c(c(c1)Cl)N)N K763 c1cc(ccc1c2nc3cc(cc(c3o2)[N+](=O)[O-])Cl)F K955 CSc1nc2ccccc2c(n1)Cl K473 C1C2CC3CC(C2)(CC1C3=O)Cl K1017 B(c1ccc(cc1C(=O)OCC)Cl)(O)O K1190 Cc1ccc(c(c1)OC)Cl K717 COc1ccc2c(c1)c(c3ccccc3n2)Cl K50 B(c1cc(ccc1OC)Cl)(O)O K1183 B(c1cc(ccc1C)Cl)(O)O K1184 c1cc(c(cc1Cl)[N+](=O)[O-])C=O K1408 c1cnc(cc1Cl)C(=O)O K334 c1cnc(cc1Cl)CO K1340 CC1(c2ccccc2N=C(N1)Cl)C K679 COc1cc(c(c(c1OC)Cl)C(=O)O)[N+](=O)[O-] K530 COc1ccc(c(c1OC)Cl)C=O K614 Cc1cc(nc(c1C#N)Cl)C K624 COc1cc(ccc1Cl)CC#N K722 COc1cc(ccc1Cl)CC(=O)O K715 c1cc(c(nc1)Cl)CO K1325 B(c1ccc(c(c1)C(F)(F)F)Cl)(O)O K1261 c1cncc(c1C#N)Cl K281 CCOc1cccc2c1nc([nH]2)Cl K672 B(c1ccc(cc1Cl)OCC)(O)O K1295 B(c1ccc(c(c1)Cl)OCC)(O)O K1186 B(c1ccc(cc1Cl)F)(O)O K1188 c1cc(c(cc1O)Cl)C=O K1395 COc1cccc2c1nc([nH]2)Cl K670 B(c1ccc(cc1Cl)OC)(O)O K1180 B(c1ccc(c(c1)Cl)OC)(O)O K1191 c1nc(c(c(n1)Cl)N)N K601 c1cc(ncc1CCl)Cl K1341 c1cc(ncc1CO)Cl K1343 c1c(sc(n1)Cl)CCl K1352 B(c1cc(ccc1Cl)C#N)(O)O K1272 B(c1cc(ccc1Cl)F)(O)O K1189 Cc1cc(c(nc1)Cl)[N+](=O)[O-] K06 B(c1cc(ccc1Cl)C)(O)O K1185 c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)Cl K288 c1cc(ncc1C=O)Cl K1360 c1cc2c(cc1S(=O)(=O)Cl)sc(n2)Cl K545 c1cc2c(cc1[N+](=O)[O-])sc(n2)Cl K216 c1cc(c(c(c1)Cl)N)[N+](=O)[O-] K759 c1cc(nc(c1)Cl)[N+](=O)[O-] K42 c1ccc(cc1)c2nc3cc(cc(c3o2)[N+](=O)[O-])Cl K956 c1cc2c(cc1N)sc(n2)Cl K217 c1cc(ccc1CCCl)S(=O)(=O)N K386 c1cnc2c(n1)c(ncn2)Cl K603 COC(=O)c1cc(ccn1)Cl K267 CC(=O)Nc1ccccc1Cl K756 c1cc2c(cc1Cl)[nH]cc2C=O K1413 COc1ccnc(c1OC)CCl.Cl K1351 COc1ccc(nc1)CCl K830 c1c(c2c(nc(nc2o1)N)N)CCl K189 Cc1cc(c2ccccc2n1)CCl K400 Cc1c(ccnc1CCl)OCC(F)(F)F.Cl K1359 COc1cc(nc(n1)CCl)OC K1357 c1ccc(c(c1)c2nc3ccccc3s2)Cl K353 c1cc(ccc1C(CC(=O)O)C#N)Cl K536 c1ccc(c(c1)C(=O)Nc2ccccc2Cl)C(=O)O K586 c1ccc(c(c1)C(=O)Nc2cccc(c2)Cl)C(=O)O K585 c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)C(=O)O K584 c1ccc2c(c1)nc(s2)c3ccc(cc3)Cl K355 c1ccc2c(c1)nc(s2)c3cccc(c3)Cl K354 B(c1ccccc1Cl)(O)O K1160 B(c1ccc(cc1)Cl)(O)O K1285 C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)Cl K463 CC(=O)c1ccc(cn1)Cl K284 c1cc(c(nc1)Cl)C=O K1382 c1ccc2c(c1)c(ccn2)Cl K44 COc1c(cc(c(c1OC)OC)S(=O)(=O)Cl)C(=O)O K419 c1cc(c(cc1C(=O)O)S(=O)(=O)Cl)F K211 CCOc1ccc(cc1C(=O)O)S(=O)(=O)Cl K461 c1cc(c(cc1C#N)C=O)F K1366 B(c1cc(ccc1F)C#N)(O)O K1181 c1ccc(cc1)C(C#N)C(=O)O K416 c1ccc(cc1)C(CC(=O)O)C#N K535 Cc1cc(ncc1C#N)C K556 B(c1ccc(c(c1)C#N)F)(O)O K1197 c1ccc(c(c1)C=O)C#N K1369 c1cc(cc(c1)C#N)C=O K1407 CC(=O)Nc1ccccc1C#N K750 B(c1ccccc1C#N)(O)O K1297 B(c1cccc(c1)C#N)(O)O K1302 B(c1ccc(cc1)C#N)(O)O K1287 c1cc(nc(c1)C(=O)O)C#N K804 c1c(cncn1)C#N K393 c1ccc(cc1)C(=O)OC2CCCCC2 K500 C/C=C/C(=O)OC1CCCCC1 K499 c1cc2c(nc1)nc([nH]2)C3CCCC3 K427 COc1ccc(cc1OC2CCCC2)C=O K458 CC(c1ccc(c(c1)OC2CCCC2)OC)O K856 CC(=O)c1ccc(c(c1)OC2CCCC2)OC K457 c1cc(cc(c1)F)C2(CC2)C#N K1252 B(C1CC1)(O)O K1314 c1cc(c(c(c1NC2CC2)F)F)F K383 C1CC1N2CCNCC2 K279 c1cc(c(c(c1)OCC2CC2)N)[N+](=O)[O-] K626 c1cc(c(c(c1)OCC2CC2)N)N K632 CC(C)(C)OC(=O)N1CCN(CC1)C2CC2 K280 CCCCCCCCCCOc1cc(c(cc1C#CC(C)(C)O)OCCCCCCCCCC)C#CC(C)(C)O K1068 CCC(C)C1C2=C(CC(CC2=O)(C)C)OC(O1)C(C)CC K422 CC(C)(C)OC(=O)OC(=O)OC(C)(C)C K190 CC(C)(C)OC(=O)NCCCCCCCNC(=O)OC(C)(C)C K686 CC(=O)n1c2ccccc2n(c1=O)C(=O)C K692 C1C2CC3C4C1C5CC(C4)CC3C5C2 K1018 c1cc(c(cc1C(=O)N)N)N K270 c1cc(c(c(c1)F)N)N K248 c1ccc2c(c1)ccc(c2N)N K276 c1ccc2c(c1)c(ccc2N)N K300 c1cc(c(c(c1)O)N)N K557 c1c(c(ncn1)N)N K602 c1ccc2c(c1)C(=O)Nc3ccccc3O2 K342 c1c2c(cc(c1Br)Br)nc[nH]2 K108 C1COc2c(c(sc2Br)Br)O1 K191 CCCCOc1cc(c(cc1Br)OCCCC)Br K1074 CCCCCCCCCCOc1cc(c(cc1Br)OCCCCCCCCCC)Br K1078 CCCCCCCCCCCCOc1cc(c(cc1Br)OCCCCCCCCCCCC)Br K1080 CCCCCCCOc1cc(c(cc1Br)OCCCCCCC)Br K1076 CCCCCCOc1cc(c(cc1Br)OCCCCCC)Br K1075 CCCCCCCCOc1cc(c(cc1Br)OCCCCCCCC)Br K1077 CCCCCCCCCCCOc1cc(c(cc1Br)OCCCCCCCCCCC)Br K1079 c1c(cc(c(c1Br)O)Br)C=O K1391 c1c(cc(c(c1C=O)O)Br)Br K1374 CCCCOc1cc(c(cc1C#CC(C)(C)O)OCCCC)C#CC(C)(C)O K1067 CCCCOc1cc(c(cc1I)I)OCCCC K1070 CCCCOc1cc(c(cc1I)OCCCC)I K1060 CC(C)(CCC(C)(C)Cl)Cl K604 c1c(c(c(nn1)N)Cl)Cl K1427 c1c(cnc(c1CO)Cl)Cl K1345 C(#N)c1c(nsc1Cl)Cl K734 c1c(cc(nc1Cl)Cl)O K688 c1ccc(cc1)c2c(c(nc(c2C#N)Cl)Cl)C#N K659 c1cc(c(cc1Cl)Cl)C(CC(=O)O)C#N K537 B(c1cccc(c1Cl)Cl)(O)O K1269 B(c1ccc(cc1Cl)Cl)(O)O K1282 B(c1cc(ccc1Cl)Cl)(O)O K1161 B(c1ccc(c(c1)Cl)Cl)(O)O K1316 B(c1cc(cc(c1)Cl)Cl)(O)O K1318 c1nc(c(c(n1)Cl)C=O)Cl K1412 CCCCCCCCCCOc1cc(c(cc1I)OCCCCCCCCCC)I K1065 CCCCCCCCCCOc1cc(c(cc1OCCCCCCCCCC)I)I K1072 CCCCCCCCCCCCOc1cc(c(cc1I)OCCCCCCCCCCCC)I K1066 CCCCCCCCCCCCOc1cc(c(cc1OCCCCCCCCCCCC)I)I K1073 CCOc1ccc(cc1OCC)C=O K1387 CCOC1CCC(O1)OCC K790 CCOC(=O)C1CN(CC1=O)C(=O)OCC K399 CCC1C2=C(CC(CC2=O)(C)C)OC(O1)CC K423 CCN(CC)CCCCCCO K635 CCN(CC)CC(C)(C)CO K625 CCN(CC)CC(C)(C)C=O K761 CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)O)OCC K1419 c1cc(c(c(c1N)[N+](=O)[O-])F)F K397 CC(=O)Nc1ccc(c(c1[N+](=O)[O-])F)F K731 B(c1cc(c(cc1F)F)[N+](=O)[O-])(O)O K1158 CC(=O)Nc1ccc(c(c1)F)F K984 c1cc(c(cc1F)F)C=O K1383 c1ccc(c(c1)C(=O)Nc2ccc(c(c2)F)F)C(=O)O K592 CC(C)(c1cc(cc(c1)F)F)N.Cl K1223 B(c1ccc(cc1F)F)(O)O K1251 B(c1cc(ccc1F)F)(O)O K1263 B(c1c(cccc1F)F)(O)O K1256 B(c1ccc(c(c1)F)F)(O)O K1244 B(c1cc(cc(c1)F)F)(O)O K1242 CCCCCCCOc1cc(c(cc1I)OCCCCCCC)I K1062 CCCCCCOc1cc(c(cc1I)OCCCCCC)I K1061 c1ccc2c(c1)C(=O)CCN2 K389 CC1(Cc2ccccc2C1O)C K962 CC1(Cc2ccc(cc2C1=O)[N+](=O)[O-])C K974 CC1(Cc2ccccc2C1=O)C K465 CC(C)C1C2=C(CC(CC2=O)(C)C)OC(O1)C(C)C K421 c1cc2c(cc1C(=O)N)[nH]c(=S)[nH]2 K271 c1cc(c2c(c1)OCCN2)N K621 CC1(c2ccccc2NC(=O)N1)C K678 CCOc1cccc2c1[nH]c(=O)[nH]2 K671 COc1cccc2c1[nH]c(=O)[nH]2 K669 c1c2c(c(s1)c3c4c(cs3)OCCO4)OCCO2 K192 c1c2c(c(s1)c3c4c(c(s3)C=O)OCCO4)OCCO2 K375 C1CC(=O)C2=C1OCOC2 K420 c1ccc2c(c1)CCNC2=O K417 C1COc2c(sc(c2O1)C=O)C=O K194 c1c2c(c(s1)C=O)OCCO2 K193 c1c(cc(c(c1[N+](=O)[O-])O)O)C=O K1394 c1cc(c(cc1C(=O)N)O)O K188 COC(=O)c1ccc(c(c1)O)O K186 c1cc(c(cc1C=O)O)O K1375 B(c1ccc(s1)C(=O)O)(O)O K165 Cc1c(ccc(c1OC)OC)C(=O)O K482 COc1cc(cc(c1OC)[N+](=O)[O-])C=O K184 COc1cc(cc(c1OC)[N+](=O)[O-])C(=O)O K183 CC(=O)Nc1cc(ccc1OC)OC K818 COc1cccc(c1C=O)OC K1399 B(c1ccc(cc1OC)OC)(O)O K1278 COc1cc(cc(c1)OC)NC(=O)c2ccccc2C(=O)O K593 CC(C)(c1ccc(c(c1)OC)OC)N K1094 COc1ccc(c(c1)NCCO)OC K435 B(c1cccc(c1OC)OC)(O)O K1193 B(c1c(cccc1OC)OC)(O)O K1266 B(c1ccc(c(c1)OC)OC)(O)O K1317 B(c1cnc(nc1OC)OC)(O)O K1162 COC(=O)c1ccc(nc1)C(=O)OC K606 CC(CN(C)CC(C)C(=O)OC)C(=O)OC K97 COC(=O)c1cccc(n1)C(=O)OC K783 CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C K1019 CC12CC3CC(C1)(CC(C3)(C2)C(=O)O)C K1024 CC12CC3CC(C1)(CC(C3)(C2)CCO)C K1023 CC12CC3CC(C1)(CC(C3)(C2)CO)C K1025 Cc1c[nH]nc1C K388 Cc1cc(n[nH]1)C(=O)NC K648 Cc1cc(c(c(c1)[N+](=O)[O-])N)C K431 CCN1CCN(CC1)C(C)(C)C#C K641 CC(C)(C#C)N1CCNCC1 K519 CN(C)CCC(c1ccccc1)N K684 B(c1cc(c(c(c1)C)OC)C)(O)O K1228 C[N+]1(CCC(=O)CC1)C.[I-] K373 CC(C)(c1ccncc1)N K367 Cc1nnc(n1C)S K1146 Cc1cc(c(c(c1)[N+](=O)[O-])NC(=O)C)C K430 C/C(=N\c1ccc(cc1)[N+](=O)[O-])/N(C)C K720 CN(C)CC/C(=N/O)/c1ccccc1 K831 Cc1c(c(nc(n1)N(C)C)C)O K240 B(c1cccc(c1)C(=O)N(C)C)(O)O K1173 B(c1ccccc1CN(C)C)(O)O K1235 Cc1cc(c(c(c1)N)N)C K432 CC1CC(=O)C=C1C K494 Cc1cc(c(c(c1)C(C)(C)C)O)C(=O)O K1083 CC(C)(C)c1ccc(c(c1)C(=O)O)O K1084 B(c1c(noc1C)C)(O)O K1163 Cc1cc(ncc1C(=O)O)C K551 CC(C)CC(C)(C)N.Cl K992 B(c1ccc(cc1C)C)(O)O K1172 B(c1cc(ccc1C)C)(O)O K1289 B(c1c(cccc1C)C)(O)O K1275 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CC(NC(C2)C)C K1420 Cc1cc(c2c(c1)nccn2)C K596 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N(C)C K1418 CCCCCCCCCOc1cc(c(cc1I)OCCCCCCCCC)I K1064 CCCCCCCCOc1cc(c(cc1I)OCCCCCCCC)I K1063 CCCCCCCCOc1cc(c(cc1OCCCCCCCC)I)I K1071 CCCCCCCCc1cscc1CCCCCCCC K612 CCCCCCCCc1c(c(sc1C=O)C=O)CCCCCCCC K526 c1ccc(cc1)c2cc([nH]c(=O)c2)c3ccccc3 K1086 CC(C(=O)Oc1ccccc1)C(=O)Oc2ccccc2 K705 c1ccc(cc1)Cc2ccc(cc2)C(=O)O K179 CCCCCCCCCCCCOc1cc(c(cc1C#CC(C)(C)O)OCCCCCCCCCCCC)C#CC(C)(C)O K1069 CCCCCCCCCCCCOc1ccc(cc1)OCCCCCCCCCCCC K1059 CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)N K798 CCOCCCC(=O)c1ccccn1 K505 CCOC(=O)CCNCC(=O)OCC K236 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CCN(CC2)C K462 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N2CCOCC2 K1414 CCOc1ccc(cc1C(=O)O)S(=O)(=O)NC K1417 CCOc1ccc(cc1C(=O)O)S(=O)(=O)N K1416 CCOc1cccc2c1nccn2 K565 CCOc1cccc(c1)C=O K1386 CCOc1cccc(c1N)N K395 CCOc1cc(ccc1C(=O)OCC)CC(=O)O K471 B(c1cccc(c1)C(=O)OCC)(O)O K1165 B(c1ccc(cc1)C(=O)OCC)(O)O K1308 CCOCCCO K708 CCOC(=O)C1(CC1)CNCc2ccccc2 K512 CCOC(=O)C1CCN(CC1)c2ccccc2C#N K467 CCOC(=O)C1(CC1)CNC(=O)C K510 CCOC(=O)C1(CC1)CN K509 CCOC(=O)Cc1coc(n1)c2ccc(cc2)Cl K676 CCOC(=O)Cc1coc(n1)c2ccc(cc2)F K677 CCOC(=O)CCN(CC(=O)OCC)C(=O)OCC K406 CCOc1cc(ccc1C(=O)OCC)C K470 CCOC(=N)COC.Cl K613 CCOC(=O)c1ccccc1OC K136 CCOC(=O)CCNC K403 CCOC(=O)CCN(C)Cc1ccccc1 K402 CCOC(=O)C12CC3CC(C1)CC(C3)(C2)O K1030 CCOC(=O)c1cc(n[nH]1)C K642 CCOC(=O)c1ccc(cc1)n2cccc2 K454 CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N K295 CCOC(=O)CC12CC3CC(C1)CC(C3)C2 K1027 CCOC(=O)C12CC3CC(C1)CC(C3)C2 K1028 CCOC(=O)NCCc1ccccc1 K541 CCOC(=O)C12CC3CC(C1)CC2C3 K1035 CCOC(=O)C(=O)[O-].[K+] K567 CCc1ccsc1C(=O)O K169 CCOC(=O)C1(CC1)C#N K700 CCc1cc(n[nH]1)c2cccnc2 K466 CCC1(C2CC3CC(C2)CC1C3)O K1029 CCNC(=O)c1ccccc1[N+](=O)[O-] K123 CCN1CCN(CC1)c2ccccc2 K127 CCc1[nH]c(cn1)C=O K286 CCNC(=O)c1cc([nH]n1)C K652 CCN1CCC[C@H]1C(=O)NC K39 CCC12CC3CC(C1)CC(C3)C2 K1026 B(c1ccc(cc1)CC)(O)O K1240 CCN1CCCC(C1)N K33 CCN1CCCC(=O)C1.Cl K37 CCN1CCC/C(=N\O)/C1.Cl K38 CCN1CCCC1CNC K34 CCc1ccc(s1)C(=O)O K166 B(c1ccc(cc1)SCC)(O)O K1306 c1cc2c(cc1N=C=S)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O K1047 c1cc2c(cc1F)CCCN2 K285 c1cc(c(cc1F)N)N K529 c1cc2c(cc1F)[nH]c(=S)[nH]2 K312 c1cc2c(c(c1)F)[nH]c(=S)[nH]2 K262 c1cc2c(c(c1)F)nc[nH]2 K322 c1cc2c(cc1F)nc[nH]2 K320 c1cc(=O)[nH]c2c1cc(cc2)F K1152 c1cc(c(c(c1)F)O)C=O K1381 B(c1cc(ccc1OC)F)(O)O K1220 Cc1[nH]c2cccc(c2n1)F K323 Cc1[nH]c2ccc(cc2n1)F K321 B(c1ccc(cc1C)F)(O)O K1280 B(c1cc(ccc1C)F)(O)O K1258 CC(=O)Nc1ccc(cc1[N+](=O)[O-])F K630 c1cc(c(cc1F)CC#N)[N+](=O)[O-] K707 c1cc(cc(c1)NS(=O)(=O)c2cc(ccc2F)C(=O)O)C(F)(F)F K210 c1cc(c(cc1C=O)C(F)(F)F)F K1411 B(c1ccc(c(c1)C)F)(O)O K1279 CC(C)(C#C)N1CCN(CC1)c2ccc(c(c2)F)C#N K944 c1cc(c(cc1N2CCNCC2)F)C#N K460 c1cc(c(cc1O)F)C=O K1385 c1cc(c(cc1C=O)F)O K1377 c1cnc(c(c1I)C=O)F K1363 B(c1ccc(c(c1)F)OC)(O)O K1309 B(c1ccc(c(c1)F)C)(O)O K1155 c1cc(c(cc1[N+](=O)[O-])F)N K247 c1cc(c(cc1Br)C=O)F K1396 B(c1cc(ccc1F)C)(O)O K1311 c1cc(c(c(c1)F)N)[N+](=O)[O-] K246 c1cc(c(cc1N)F)N K249 CC(=O)Nc1ccccc1F K245 c1cc2c(c(c1)F)nccn2 K599 B(c1ccc(cc1)F)(O)O K1219 c1cc(cc(c1)Oc2ccc(cc2)F)C=O K453 c1cc(cc(c1)F)C2=CCNCC2 K546 c1ccc2c(c1)nc(s2)c3cccc(c3)F K351 CC(C)(Cc1cccc(c1)F)N K1022 c1ccc(c(c1)NC(=S)N)F K742 COc1ccc(cc1OC)C(=O)Nc2ccccc2F K945 c1ccc(c(c1)C(=O)Nc2ccccc2F)C(=O)O K581 c1ccc(c(c1)C(=O)Nc2cccc(c2)F)C(=O)O K582 c1ccc(c(c1)C(=O)Nc2ccc(cc2)F)C(=O)O K583 c1cc(cc(c1)F)C2(CCCC2)C#N K1273 CC(C)(c1ccccc1F)N K1402 CC(C)(c1cccc(c1)F)N K1342 B(c1ccccc1F)(O)O K1264 B(c1cccc(c1)F)(O)O K1288 c1cc2cc(ccc2nc1)F K282 c1cc2c(cc1F)nccn2 K594 B(c1cccc(c1)C=O)(O)O K1232 B(c1ccc(cc1C=O)OC)(O)O K1310 B(c1ccccc1C=O)(O)O K1268 B(c1ccc(cc1)C=O)(O)O K1291 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C=O K1324 B(c1ccc(s1)C=O)(O)O K1229 B(c1ccco1)(O)O K1298 c1cc(oc1C=O)C=O K963 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O)O K1136 CCCCCCCS(=O)(=O)N K563 B(/C=C/CCCCC)(O)O K1296 CCCCCCCc1cc2ccccc2c3c1cccc3 K252 CCCCCCCOc1ccc(cc1)OCCCCCCC K1057 B(c1ccc(cc1)OCCCCCCC)(O)O K1313 CC1CC(=O)C2=C1CCCC2 K496 CC(C)(C)OC(=O)N1CC2CNCC2C1 K1106 CCCCCCS(=O)(=O)N K562 B(/C=C/CCCC)(O)O K1230 CCCCCCc1cc2ccccc2c3c1cccc3 K253 CCCCCCOc1ccc(cc1)OCCCCCC K1056 B(c1ccc(cc1)OCCCCCC)(O)O K1312 c1csc(n1)NN K639 C1C2CC3CC(C2)(CC1C3=O)O K1033 B(c1ccc(cc1C)O)(O)O K1320 c1cc2cc(ccc2cc1C=O)O K1409 Cc1ccc(c(c1C)O)C(=O)O K1082 Cc1cc(c(c(c1)C(=O)O)O)C K1081 c1ccc2c(c1)c(c(cn2)O)C(=O)O K552 COC(=O)c1c2ccccc2ncc1O K574 COc1ccc(c(c1)NC(=O)N)O K649 CC(=O)c1cc(ccc1O)[N+](=O)[O-] K119 c1ccc2c(c1)C(=O)N(C2=O)c3ccc4ccc(nc4n3)O K478 c1cc(cc(c1)O)C(=O)N K181 CC(C)(C)OC(=O)NCc1cccc(c1)O K164 C1C2CC3(CC1CC(C2)(C3)O)CC(=O)O K1031 C1C2CC3(CC1CC(C2)(C3)O)C(=O)O K1032 Cc1cc([nH]n1)C(=O)NCCO K656 COc1ccc(cc1)/C(=N\O)/C#N K17 c1ccc(c(c1)CO)C(=O)N K655 C1C2CC3(CC1CC(C2)(C3)O)CO K1034 c1ccc2c(c1)cc(o2)CO K58 c1cc(ccc1CO)C(=O)O K1349 c1cc(ccc1CO)C(=O)O K1350 B(c1ccccc1CO)(O)O K1290 B(c1cccc(c1)CO)(O)O K1231 B(c1ccc(cc1)CO)(O)O K1239 c1ccc(c(c1)c2nc3ccccc3s2)O K346 B(c1cccc(c1)O)(O)O K1233 B(c1ccc(cc1)O)(O)O K1286 B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)O K1210 B1(OC(C(O1)(C)C)(C)C)c2ccccc2O K1209 c1ccc2c(c1)cc(cn2)O K566 c1cc2c(c(c1)O)nccn2 K568 c1cc(ccc1N)n2ccnc2 K1151 c1cc2c([nH]c(=O)[nH]2)nc1 K428 c1cc2c([nH]c(=S)[nH]2)nc1 K425 c1cncc2c1[nH]c(=S)[nH]2 K456 c1ccc2c(c1)c(c[nH]2)CO K1327 c1cc(c2cc[nH]c2c1)CO K1337 c1cc2c(cc[nH]2)cc1C=O K1364 c1cc2c(cc[nH]2)cc1CO K1339 c1cc(cc2c1cc[nH]2)C=O K1406 c1ccc2c(c1)CC(=S)N2 K434 c1cncc(c1C#N)I K307 c1cc(c(cc1I)N)N K335 c1cc2c(cc1I)[nH]c(=S)[nH]2 K309 c1cc2c(cc1I)nc[nH]2 K326 c1cc2c(cc1I)c(=O)oc(=O)[nH]2 K637 Cc1[nH]c2ccc(cc2n1)I K327 c1cc(c(cc1I)[N+](=O)[O-])N K643 CC(=O)Nc1ccc(cc1[N+](=O)[O-])I K651 COc1cc(cc(c1)I)OC K340 c1cc(c(cc1[N+](=O)[O-])I)N K959 c1cc(c(c(c1)I)N)[N+](=O)[O-] K788 c1cc2c(c(c1)I)nccn2 K826 c1cc(c(c(c1)I)N)N K816 c1cc(c(c(c1)O)I)O K491 C1CC1CI K549 CC(=O)Nc1ccccc1I K781 c1ccc2c(c1)c(ccn2)I K45 c1cc2c(cc1I)nccn2 K598 c1csc(c1I)C(=O)O K170 CC(C)Cc1cccc(c1)O K1087 B(CC(C)C)(O)O K1171 B(c1ccc(cc1)OC(C)C)(O)O K1224 CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O K1133 CC(C)c1cccc2c1[nH]cn2 K569 Cc1[nH]c2c(cccc2n1)C(C)C K558 CC(C)c1cc(ccc1N)[N+](=O)[O-] K442 CC(C)c1cc(ccc1NC(=O)C)[N+](=O)[O-] K441 CC(C)N1CCN(CC1)c2ccccc2 K128 CC(C)c1cccc(c1N)[N+](=O)[O-] K439 CC(C)c1cccc(c1NC(=O)C)[N+](=O)[O-] K438 CC(C)c1ccccc1NC(=O)C K658 CC(C)c1ccccc1NC(=O)c2ccccc2C(=O)O K590 CC(C)c1cccc(c1N)N K440 CC(C)c1cc(ccc1N)N K443 CC(C)c1cccc2c1nc(s2)N K749 B(c1ccccc1C(C)C)(O)O K1156 CC(C)c1ccccc1NC(=S)N K748 B(c1cccc(c1)C(C)C)(O)O K1166 B(c1ccc(cc1)C(C)C)(O)O K1168 CC(C)c1cccc2c1nccn2 K597 CCC(=O)Nc1cnoc1 K709 c1c(con1)N K304 B1(OC(C(O1)(C)C)(C)C)c2ccccc2NS(=O)(=O)C K1217 B(c1ccc(cc1)OC)(O)O K1245 COc1cccc2c1nc[nH]2 K324 COc1cccc2c1[nH]c(=S)[nH]2 K256 B(c1cc(ccc1C=O)OC)(O)O K1212 Cc1[nH]c2cccc(c2n1)OC K325 Cc1ccc(cn1)OC K691 Cc1ccc(c[n+]1[O-])OC K827 COc1ccc(nc1)CC#N K690 CC(=O)NCCc1ccc(c(c1)[N+](=O)[O-])OC K484 COc1ccc(cn1)C=O K1362 Cc1c(c(nc(n1)OC)C)O K241 CC(=O)Nc1ccc(cc1OC)NS(=O)(=O)C K78 CC(=O)Nc1ccc(cc1OC)[N+](=O)[O-] K76 COc1cc(ccc1C(=O)O)NS(=O)(=O)C K74 COc1cccc(c1N)[N+](=O)[O-] K250 Cc1cc(c(c(c1)OC)NC(=O)C)[N+](=O)[O-] K631 COc1cccc(c1N)N K251 CN(C)NC(=O)c1ccccc1OC K125 COc1ccccc1c2nc3ccccc3s2 K989 COCC(=N)N.Cl K532 COc1ccccc1C(=O)N K137 COCCCCO K774 B(c1ccc(cc1)C(=O)OC)(O)O K776 COC(=O)c1ccc(nc1)C(=O)O K607 COC(=O)c1cccc(n1)C(=O)O K784 B(c1cc(cc(c1)[N+](=O)[O-])C(=O)OC)(O)O K1315 B(c1cccc(c1)C(=O)OC)(O)O K1274 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)OC K1211 COc1ccc2c(c1)C(C=N2)C=O K1390 B(c1ccccc1COC)(O)O K1213 B(c1cccc(c1)COC)(O)O K1214 CC(=O)NCCc1ccc(cc1)OC K483 CC(C)(Cc1ccc(cc1)OC)N K1043 COc1cccc(c1)C2(CCCCC2)O K480 COc1ccc(cc1)N2CCCC2=O K469 B(c1ccccc1OC)(O)O K1238 B(c1cccc(c1)OC)(O)O K1246 COc1ccc(nc1)CO K829 COc1cc(ccn1)N K767 COc1ccnc(c1)C(=O)N K47 COc1ccnc(c1)C(=O)O K113 B(c1ccc(nc1)OC)(O)O K1257 COC(=O)C1CCC(CC1)CN.Cl K1119 CCN1CCC[C@H]1C(=O)OC K36 COC(=O)c1cccc(c1N)N K862 COC(=O)Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] K610 COC(=O)CNC(=O)c1cc(ccc1N)I K636 CC(=O)Nc1c(cccc1[N+](=O)[O-])C(=O)OC K860 CC(=O)Nc1ccccc1C(=O)OC K820 COC(=O)c1cccc(c1N)[N+](=O)[O-] K861 COC(=O)c1cccc(n1)C#N K787 COc1cc(ccc1C(=O)OC)NS(=O)(=O)C K73 COC(=O)c1ccccc1[N+](=O)[O-] K122 COC(=O)CCNc1cccc(c1)Br K726 COC(=O)CCc1ccc(cc1)OCC=C K412 COC(=O)CCc1ccc(cc1)OCc2ccccc2 K414 CCCCOc1ccc(cc1)CCC(=O)OC K413 Cc1ccc(cc1)S(=O)(=O)N(CCC(=O)OC)c2cccc(c2)Br K727 CCc1ccsc1C(=O)OC K524 COc1cc(ccc1C(=O)OC)N K72 COc1ccc(cc1)c2c(c(sn2)C(=O)OC)N K19 COC(=O)c1ccc(c(c1)[N+](=O)[O-])N K268 COc1ccnc(c1)C(=O)OC K46 COC(=O)c1cscc1c2ccccc2 K16 Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)OC)C(CCC2(C)C)(C)C K609 Cc1cc2c(cc1C(=C)c3ccc(cn3)C(=O)OC)C(CCC2(C)C)(C)C K758 COC(=O)c1cccc(n1)C(=O)N K785 COC(=O)c1cccc(n1)[N+](=O)[O-] K80 COC(=O)C12CC3CC(C1)CC2C3 K1036 COC(=O)[C@@H]1CCCN1.Cl K35 CNCc1cccc(c1)[N+](=O)[O-] K487 CC1(OCCCO1)CC(c2ccccc2)N K971 CCC(CC1(OCCCO1)C)N K968 CC1(OCCCO1)CCN K966 CCCC(CC1(OCCCO1)C)N K969 CC(C)C(CC1(OCCCO1)C)N K970 CC(C)(c1ccc2ccccc2c1)N K365 CC(C)(CN1CCNCC1)O K292 CC(C)(c1ccccn1)N K369 CC(C)(Cc1ccccn1)N K991 CC(C)(Cc1ccccc1)N K744 CC(C)(c1cccnc1)N K368 Cn1ccnc1CO K1333 Cc1c2ccccc2[nH]n1 K553 Cc1cc(n[nH]1)C(=O)N K650 Cc1cc(n[nH]1)C(=O)O K644 Cc1ccc(cc1)c2ccccc2Cl K1095 CNC(=O)c1ccccc1[N+](=O)[O-] K121 Cc1ccnc(c1)[N+](=O)[O-] K378 CC(=O)OC(C)(C)C#C K653 Cc1[nH]c2c(n1)cccn2 K426 Cc1c(ccnc1CO)OCC(F)(F)F K1358 CC(C)(C#C)N1CCN(CC1)C K943 Cc1cc(ccn1)[N+](=O)[O-] K764 CN1CCN(CC1)c2ccccc2 K126 CN1CCC(CC1)CO K1330 Cc1[nH]c2ccc(cc2n1)C(=O)N K329 B(c1cc(ccc1C)[N+](=O)[O-])(O)O K1216 Cc1cc(cnc1)[N+](=O)[O-] K745 Cc1cccc(n1)[N+](=O)[O-] K41 Cc1cc(c2ccccc2n1)CO K542 Cc1ccc(cc1)c2ccccc2C=O K1093 Cc1ccc(cc1)c2cccc(c2)C=O K1096 Cc1ccc(cc1)c2ccc(cc2)C(=O)O K1091 Cc1ccc(cc1)c2ccccc2N K1092 CC(C)(C#C)N1CCN(CC1)c2ccccc2 K942 CC1CCCC(C1)N K1090 B(c1ccc2c(c1)OCO2)(O)O K1215 Cc1[nH]c(cn1)C=O K318 B(c1ccccc1C)(O)O K1259 B(c1ccc(cc1)C)(O)O K1222 CN1CCN(CC1)CCO K940 CN1CCN(CC1)c2ccccc2CN K1336 CN1CCC(CC1)O.Br K305 B1(OC(C(O1)(C)C)(C)C)c2cnn(c2)C K1321 B(c1cc(cnc1)C)(O)O K1319 Cc1ccc(c(c1)C=O)O K1372 B(c1cccc(c1)S(=O)(=O)C)(O)O K1164 B(c1ccc(cc1)S(=O)(=O)C)(O)O K1236 CS(=O)(=O)c1ccc(cc1)C=O K1376 CSc1ncc(cn1)C=O K628 CC(=O)Nc1ccccc1SC K807 CSc1[nH]c2ccccc2c(=O)n1 K472 B(c1cccc(c1)SC)(O)O K1247 B(c1ccc(cc1)SC)(O)O K1303 CCC(=O)N1CCOCC1 K490 CCCCC1(C2CC3CC(C2)CC1C3)O K1015 B(CCCC)(O)O K1194 CCOP(=O)(c1cccc2c1cccc2)OCC K214 CC(C)(c1cccc2c1cccc2)N K366 c1cc(cc2c1cc(cc2)S(=O)(=O)Cl)S(=O)(=O)Cl K09 B(c1cccc2c1cccc2)(O)O K1248 B(c1ccc2ccccc2c1)(O)O K1249 c1ccc2c(c1)ccc3c2[nH]cn3 K336 Cc1[nH]c2c3ccccc3ccc2n1 K337 c1ccc2c(c1)ccc3c2[nH]c(=S)[nH]3 K338 c1ccc2c(c1)ccc(c2N)[N+](=O)[O-] K296 c1ccc2c(c1)c(ccc2[N+](=O)[O-])N K297 c1cc(c2c(c1)OCCN2)[N+](=O)[O-] K620 Cc1cccnc1[N+](=O)[O-] K380 Cc1ccc(nc1)[N+](=O)[O-] K376 c1c(con1)[N+](=O)[O-] K303 c1ccc2c(c1)cc3cc(ccc3n2)[N+](=O)[O-] K65 c1ccc2c(c1)cc3cccc(c3n2)[N+](=O)[O-] K66 C/N=C/c1cccc(c1)[N+](=O)[O-] K486 c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O K1141 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O K1144 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@@H]([C@H](CO2)O)O)O K1142 B(c1cccc(c1)[N+](=O)[O-])(O)O K1284 B(c1ccc(cc1)[N+](=O)[O-])(O)O K1167 c1cc(c(nc1)N2CCNCC2)[N+](=O)[O-] K450 c1cnc(cc1N)[N+](=O)[O-] K737 c1cc(nc(c1)[N+](=O)[O-])C(=O)N K81 c1cc(nc(c1)[N+](=O)[O-])C(=O)O K71 c1cc(c(nc1)[N+](=O)[O-])C(=O)O K381 c1cc(ncc1C(=O)O)[N+](=O)[O-] K379 c1cnc(cc1C(=O)N)[N+](=O)[O-] K747 c1cnc(cc1C(=O)O)[N+](=O)[O-] K377 CCCCCCCCCc1cc2ccccc2c3c1cccc3 K235 C1C2CC3CC1CC3(C2)N.Cl K1037 C1C2CC3CC1CC3(C2)C(=O)Cl K1038 C1C2CC3CC1CC3(C2)C(=O)N K1039 C1C2CC3CC1CC3(C2)C(=O)O K1040 C1C2CC3CC1CC3(C2)CO K1041 C1C2CC3CC1CC3(C2)CN.Cl K1042 CC(C)(C)OC(=O)N1CC2CCNCCC2C1 K1123 CCCCCCCCS(=O)(=O)N K564 CCCCCCCCc1cc2ccccc2c3c1cccc3 K234 CCCCCCCCOc1ccc(cc1)OCCCCCCCC K1058 c1cnccc1c2nnc(o2)c3ccncc3 K293 c1cc2cc[nH]c2[n+](c1)[O-] K662 c1cc[n+]2c(c1)C(=O)CCC2.[Br-] K396 c1cc(ccc1OCCCCOc2ccc(cc2)Br)Br K1050 c1cc(ccc1OCCCCCCCCCCCCOc2ccc(cc2)Br)Br K1054 c1cc(ccc1OCCOc2ccc(cc2)Br)Br K1048 c1cc(ccc1OCCCCCCOc2ccc(cc2)Br)Br K1052 c1cc(ccc1OCCCCCCCCOc2ccc(cc2)Br)Br K1053 c1cc(ccc1OCCCCCOc2ccc(cc2)Br)Br K1051 c1cc(ccc1OCCCOc2ccc(cc2)Br)Br K1049 Cc1ccc(cc1)c2ccccc2C(=O)O K1097 Cc1ccc(cc1)C(C)(C)N K1403 Cc1ccc2c(c1)C(CCC2(C)C)(C)C K605 Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC2(C)C)(C)C K580 Cc1cc2c(cc1C(=O)c3ccc(cn3)C(=O)OC)C(CCC2(C)C)(C)C K608 CCCCCS(=O)(=O)N K560 CCCCCc1cc2ccccc2c3c1cccc3 K254 CCCCCc1cccc(c1)O K1088 c1cc2ccc(nc2c3c1ccc(n3)C=O)C=O K965 c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3ccncc3 K449 c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3 K448 c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3ccccn3 K447 c1ccc(cc1)C2=NCC(=O)Nc3c2cccc3 K452 CCCN1CCN(CC1)c2ccccc2 K517 c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O K1143 c1ccc(cc1)C23CC4CC(C2)CC(C4)C3 K139 c1ccc(cc1)N2CCC2=O K503 B(c1ccccc1)(O)O K1154 B(CCc1ccccc1)(O)O K1169 B(c1ccc(cc1)Cc2ccccc2)(O)O K361 CC(=O)N1CCN(CC1)c2ccccc2 K129 B1(OC(C(O1)(C)C)(C)C)c2ccnc3c2ccn3S(=O)(=O)c4ccccc4 K629 [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)O K306 CC1(C2CC1C(C(C2)O)(C)O)C K889 CC1(C2CC1C(C(C2)O)(C)O)C K990 c1cc(c(nc1)N2CCNCC2)N K451 CC(C)(C)OC(=O)N1CCC(CC1)N2CCNCC2 K1103 CC(C)(C)OC(=O)N1CCC(CC1)CN2CCNCC2 K1102 CC(C(=O)N1CCNCC1)O K702 CC(C)(C(=O)N1CCNCC1)O K695 CC(C)(CO)C(=O)N1CCNCC1 K698 COCCC(=O)N1CCNCC1 K703 C1C[C@@H](OC1)C(=O)N2CCNCC2 K701 CC(C)(C)OC(=O)NCCC1CCNCC1 K1111 CC(C)(C)OC(=O)N1CCN(CC1)C2CCNCC2 K1114 CC(C)(C)OC(=O)NC1CCN(C1)C2CCNCC2 K1101 B(c1ccc(cc1)C(=O)N2CCCCC2)(O)O K1157 C1CCNC(C1)CO K1332 C1CNCCC1CO K1328 C1C[C@@H](NC1)CO K1139 C1C[C@H](NC1)CO K1127 CCCS(=O)(=O)N K01 c1ccc(cc1)c2ccc(c(c2)Cl)SCCCO K954 CCCOc1ccc(cc1)CCC(=O)O K409 c1c2c([nH]c(=S)[nH]2)ncn1 K392 c1ccn2c(c1)c(cn2)C=O K1380 CC(=O)Cc1cccnc1 K988 CCOP(=O)(c1cccnc1)OCC K215 c1cc(cnc1)S(=O)(=O)Cl K153 B1(OC(C(O1)(C)C)(C)C)c2ccncc2 K1218 CCOC(=O)C(=O)c1cnccc1NC(=O)OC(C)(C)C K294 C[Si](C)(C)c1cnccc1C#N K370 c1cc(nc(c1)C=O)C=O K964 c1cc(nc(c1)CO)CO K1329 CC(C)(C)OC(=O)N/N=C/c1ccc(cc1)c2ccccn2 K474 CC(C)(C)OC(=O)NNCc1ccc(cc1)c2ccccn2 K475 c1ccc(c(c1)C(=O)Nc2ccncc2)C(=O)O K573 B(c1cccnc1)(O)O K154 c1ccc(c(c1)C(=O)Nc2ccccn2)C(=O)O K572 c1ccc(c(c1)C(=O)Nc2cccnc2)C(=O)O K571 c1c(cncn1)C=O K1393 c1c(cncn1)C(=O)O K133 c1ccn(c1)c2ccc(cc2)C(=O)O K455 c1c[nH]cc1C=O K391 C1CC(=S)NC1 K132 C1CC(NC1)C(=O)N K115 C1CCN(C1)CCCCN K1089 c1cncc2c1NC(=O)C2=O K266 COC(=O)Cn1c(=O)c2cc(ccc2[nH]c1=O)I K634 c1ccc2c(c1)c(=O)cc[nH]2 K43 B(c1cccc2c1nccc2)(O)O K1170 c1cc2c(cc1F)CCCN2C=O K302 c1cc2c(cc1C(=O)N)nccn2 K600 CC[C@@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 K401 CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3 K508 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C K1131 CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C K1125 c1c(c(c(c(c1Cl)Cl)Cl)Cl)S(=O)(=O)Cl K479 c1cc(=O)[nH]c2c1CNCC2 K387 c1ccc2c(c1)CCCNC2.Cl K1135 c1ccc2c(c1)C3CCCCC3C2=O K501 C[C@@H](CO)OC1CCCCO1 K219 CCOC(=O)[C@H](C)OC1CCCCO1 K218 C1COc2c(c(sc2c3c4c(c(s3)C=O)OCCO4)C=O)O1 K197 C1CC(COC1)O K531 C1CC(=CNC1)C#N K489 CC1=C(C(CC1=O)(C)C)C K497 B(c1ccsc1)(O)O K1271 Cc1ccccc1C(C)(C)N K1404 Cc1ccc(cc1)S(=O)(=O)O/N=C(/C#N)\c2ccc(cc2)OC K18 CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N=[N+]=[N-] K1137 CCCC[Sn](CCCC)(CCCC)c1c2c(c(s1)c3c4c(c(s3)[Sn](CCCC)(CCCC)CCCC)OCCO4)OCCO2 K196 c1c(c(c(c(c1F)F)N)[N+](=O)[O-])F K257 CS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)OC(F)(F)F K476 c1cc(ccc1CO)OC(F)(F)F K1326 B(c1ccccc1OC(F)(F)F)(O)O K1260 B(c1cccc(c1)OC(F)(F)F)(O)O K1262 CC1Nc2ccccc2C(O1)(C(F)(F)F)C(F)(F)F K382 c1cc(ccc1CO)C(F)(F)F K1347 c1ccc(c(c1)CCl)C(F)(F)F K1348 c1ccc(c(c1)C(=O)O)Oc2cccc(c2)C(F)(F)F K176 c1cc(ccc1c2nc3cc(cc(c3o2)[N+](=O)[O-])Cl)C(F)(F)F K958 B(c1ccccc1C(F)(F)F)(O)O K1281 B(c1cccc(c1)C(F)(F)F)(O)O K1250 B(c1ccc(cc1)C(F)(F)F)(O)O K1277 B(c1ccc(c(c1F)F)F)(O)O K1265 B(c1cc(c(c(c1)F)F)F)(O)O K1243 CC(C)[Si](C(C)C)(C(C)C)n1cccc1 K904 Cc1nccn1S(=O)(=O)N(C)C K894 Cc1cc(n[nH]1)C(=O)N(C)C K654 CC1=CC(=O)CC1(C)C K495 C[Si](C)(C)c1ccsc1C(=O)O K172 C[Si](C)(C)c1ccc(s1)C(=O)O K167 C[Si](C)(C)c1cncc(c1C#N)[Si](C)(C)C K390