CCOC(=O)NCCc1ccc(cc1)O s017 CCNC(=O)NCCc1ccc(cc1)O f015 CC1=NC(CS1)C(=O)[O-].[Na+] f012 Cc1cc2c(c(c1)Cc3cc(cc(c3OC(=O)C)Cc4cc(cc(c4OC(=O)C)Cc5cc(cc(c5OC(=O)C)Cc6cc(cc(c6OC(=O)C)Cc7cc(cc(c7OC(=O)C)C2)C)C)C)C)C)OC(=O)C s026 c1cncc(c1C(=O)O)O f002 c1cc2c(cc1N)ncnc2O f008 c1cc(ncc1O)O f011 c1ccc(cc1)C(c2ccccc2)OC3CCCNC3 c010 CCN(CC)C(=O)c1ccccc1OCCO s024 c1cnc(cc1N)O un001 c1cncc(c1N)O.Cl un005 c1ccc(cc1)C(c2ccccc2)OCC3CCNCC3 u006 c1ccc(cc1)C(c2ccccc2)N3CCCNCC3 un007 CC(=O)CC(c1ccco1)c2c(c3ccccc3oc2=O)O u020 c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O s039 c1cncc(c1C(=O)O)N f002a [B-](F)(F)(F)F.c1cc(c(cc1Cl)Cl)[N+]#N s001 Cc1cc2c(c(c1)Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)C)C)C)C)C)O s003 c1cc2cccc(c2c(c1)Br)Br f033 CN1C2CCC1CC(C2)OC(=O)C(=C)c3ccccc3.Cl un023 CCNC(=O)N1CCN(CC1)CCO f019 CS(=O)(=O)N1CCN(CC1)CCO jg002 c1cc2c(cc1[N+](=O)[O-])oc(=S)[nH]2 c047a c1cc2c(cc1C(=O)O)nc(o2)S c047 c1cc2c(cc1[N+](=O)[O-])[nH]cnc2=O f008a c1cc2c(c3c1nccn3)nccn2 a001 COC(=S)NC(=O)c1ccccc1 f034 c1cncc(c1Cl)O a004 c1cnc(cc1Cl)O a006 CN(C)C(=O)CCO a009 CCCCN(CCCC)C(=S)NC(=O)c1ccccc1 a016 CCC(=O)CCC(=O)CC a020 CN(C)Cc1c[nH]c2c1cccc2OCc3ccccc3 dq004 c1cc2c(cc1Cl)c(c[nH]2)C(=O)O dq019 c1c(c(cc(c1I)CBr)I)CBr hs2-a002 COc1cc(c(cc1CCl)OC)CCl hs2-a008 COc1cc(c(cc1CC#N)OC)CC#N hs2-a011 c1c(c(cc(c1Cl)CBr)Cl)CBr hs2-a012 Cc1c(c(c(c(c1Br)Br)C)Br)Br hs2-a013 CN1C(=O)C(=C(C1=O)Cl)Cl hs2-b008 c1cnccc1Nc2ccncc2 hs2-b013 c1cnccc1C(C(c2ccncc2)O)O hs2-b014 c1cnccc1c2c(c(sc2c3ccncc3)c4ccncc4)c5ccncc5 hs2-b018 c1c2c3cscc3c4cscc4c2cs1 hs2-b024 c1cnccc1CSSCc2ccncc2 hs2-b032 c1ccc2c(c1)[nH]c(n2)Cc3ccc(cc3)Cc4[nH]c5ccccc5n4 hs2-b038 CN1C(=O)c2ccc3c4c2c(ccc4C(=O)N(C3=O)C)C1=O hs2-a019 Cc1c(c(nc(c1CO)C)C)CO hs2-b044 Cc1c(c(nc(c1CC#N)C)C)CC#N hs2-c002 Cc1c(cncc1CO)CO hs2-c006 c1ccc(c(c1)C[n+]2ccc(cc2)c3ccncc3)C[n+]4ccc(cc4)c5ccncc5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F hs2-c007 Cc1cc(cc(n1)C)c2cc(nc(c2)C)C hs2-c010 COc1cc(c(cc1I)OC)Cl hs2-c015 Cc1ccc(cc1)c2nc3ccccc3s2 hs2-c022 Cn1c(nnc1SC)c2ccccc2 hs2-d001 CSc1nc(ns1)c2ccccc2 hs2-d002 CSc1nnc2n1cccc2 hs2-d006 CSc1nnnn1c2ccccc2 hs2-d007 c1ccc(cc1)c2c3c(c(n[nH]3)c4ccccc4)[nH]n2 hs2-d010 c1cnccc1c2ncncn2 hs2-d016 c1cnccc1c2nc(nc(n2)c3ccncc3)c4ccncc4 hs2-d018 c1cc(ccc1C(=O)O)OCCCCCOc2ccc(cc2)C(=O)O hs2-d038 c1ccc2c(c1)NN3N2Nc4c3cccc4 hs2-d041 Cc1ccc(nn1)c2ccc(nn2)C hs2-e002 CC1=C2C(=C(C(=O)S2)Br)SC1=O hs2-e018 C[n+]1ccc(c2c1cccc2)/N=N/c3ccccc3.[O-]Cl(=O)(=O)=O hs2-e038 c1cc2c(c(ccn2)O)nc1 ct009 CCOC(=O)c1cnc(cc1Cl)Cl ct010 Cc1cc(ncc1C#N)C ct011 CCOC(=O)c1cnccc1O ct013 Cc1cc(ncc1Br)Br ct022 c1c(cncc1Cl)C(=O)O ct036 Cc1cc(cnc1)S(=O)(=O)O ct044 c1cncc(c1C(=O)O)Br ct051 c1cc2cc(ccc2nc1)S(=O)(=O)O ct053 c1cc(ncc1C(=O)O)Br ct055 c1cncc(c1Cl)S(=O)(=O)O ct058 c1cnc(cc1Br)Br ct069 c1ccc2c(c1)c(cnc2Cl)Br ct070 c1cc(ncc1O)C(=O)O ct074 Cc1cccc(n1)S(=O)(=O)N ct075 CCOC(=O)c1cnc(cc1O)O ct010vp1 Cc1cc(ncc1C(=O)O)C ct077 c1ccn2cc(nc2c1)CBr ct079 CCc1ccc(nc1)C(=O)O ct080 c1cnc(c(c1C(=O)N)N)Cl cin017 CCOC(=O)c1ccnc(c1C)Cl cin047 c1cnc(cc1C(=O)O)N2CCOCC2 cin048 Cc1cnccc1C(=O)N cin074 CCOC(=O)c1ccncc1Cl cin092 COC(=O)c1ccncc1I cin101 c1cnc(c(c1C(=O)O)Cl)Cl cin105 COc1cc(c(cn1)N)C(=O)O cin106 c1cnc(cc1C(=O)O)C#N cin119 c1c(cc(c(c1N)CO)[N+](=O)[O-])[N+](=O)[O-] jg013 Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] f072 Cc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] f059 Cc1ccc(c(c1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+] f060 Cc1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+] f073 Cc1c(cc(cc1S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] un027 Cc1c(ccc(c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-] un028 Cc1c(cc(cc1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-] un029 Cc1cc(c(cc1N)[N+](=O)[O-])S(=O)(=O)O un030 Cc1ccc(c(c1[N+](=O)[O-])S(=O)(=O)O)N un031 c1c(cc(c(c1[N+](=O)[O-])CO)[N+](=O)[O-])[N+](=O)[O-] un032 c1c(cc(c(c1[N+](=O)[O-])CO)[N+](=O)[O-])N jg012 c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-] un033 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])[N+](=O)[O-] jg009 c1c(cc(c(c1N)C(=O)O)[N+](=O)[O-])[N+](=O)[O-] jg011 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N jg010 B(c1ccc(cc1)OCOC)(O)O dq127 C1COC2=C(O1)SC(=C3SC4=C(S3)OCCO4)S2 jg020 CSc1cccccc1=S s045 CC(=C)C(=O)NCC(=O)O s051 C=C(c1ccccc1)C(=O)O f066 c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F.Cl jd001 COC1C2C3CC(C2C(O1)OC)C=C3 hs028 CC1(C(=S)C(C1=S)(C)C)C hs040 c1ccc2c(c1)nc3cc(c(cc3n2)N)N a028 C1CC(NNC1)C(=O)O a029 c1cc(cnc1)c2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O a032 c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])S(=O)(=O)[O-].[K+] a035 CCCC[Sn](CCCC)(CCCC)c1ccc(cc1)OC f078 c1ccc(cc1)Cc2c(nccn2)N f077 c1ccc(cc1)Cc2c(ncc(n2)Br)N f075 c1cc2cccc3c2c(c1)C4C3C4N.Cl f086 CCOC(=O)C1C2C1c3cccc4c3c2ccc4 s054 CS(=O)(=O)NCCc1ccc(cc1)O f013 c1csc2c1scc2 hs049 c12c(c(c(s1)I)I)sc(c2I)I hs062 c1c[n+](ccc1c2cc[n+](cc2)[O-])[O-] hs064 c1c(cncc1[N+](=O)[O-])[N+](=O)[O-] ct081 c1cc(ncc1N)C(=O)O ct083 c1ccc(cc1)c2cccc(n2)Br ct084 c1ccc(cc1)c2cccc(n2)N ct085 CCOc1cc(ccn1)Br ct091 c1ccc2cnc(cc2c1)Br ct095 c1c(cnc(c1Br)N)S(=O)(=O)O ct097 CNc1cc(=O)[nH]c(=O)[nH]1 ct115 CC(C)(C)c1nc(cc(n1)O)O ct120 c1cc(c(c(c1)Cl)C=O)O ct137 c1ccc(c(c1)CC(=O)O)C#N ct139 c1cocc1C(=O)C(=O)O f004 c1c(c(c(cn1)[N+](=O)[O-])O)[N+](=O)[O-] ct198 CC1CC(CC(N1)C)O.Cl ct207 c1cc(nnc1Br)Br ct254 c1cc(c(nc1)C(=O)O)N ct255 c1ccc2c(c1)ncc(n2)N ct256 Cc1c[nH]c(=O)[nH]1 ct260 c1cnncc1N ct267 Cc1nc(c(o1)N)C#N ct282 CCCCCCCCCc1ccc(c(c1)/C=N/O)O un037 c1cc2ccoc2c(c1)O un058 COC[C@@H](C(=O)O)N.Cl un060 CCN(CCCc1ccccc1)CCCc2ccccc2 un064 c1cscc1N un070 c1ccc2c(c1)C3CC2C(C3CO)CO hs077 c1ccc(cc1)Nc2ccc3cc(ccc3c2)S(=O)(=O)O bc004 CN(C)c1ccc2cc(ccc2c1)C(=O)C=C bc013 c1ccc2cc3cc(ccc3cc2c1)S(=O)(=O)Cl bc014 c1ccc2c(c1)cc3ccccc3c2C(=O)Oc4ccc(cc4)C(=O)CBr bc015 c1ccc2cc3cc(c(cc3cc2c1)C=O)C=O bc016 COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)N bc018 c1c(cc2c3c1c(c(cc3C(=O)N(C2=O)CCN)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[K+].[K+] bc019 c1cc2c(cc1CN)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O.Cl bc022 c1ccc2c(c1)cc3ccccc3c2C=[N+]#N bc025 c1cc(ccc1N=[N+]=[N-])SSc2ccc(cc2)N=[N+]=[N-] bc027 CC(=O)NC(CCS)C(=O)NN bc028 c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)O bc029 c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] bc032 c1ccc2c(c1)c(=O)c3cc(ccc3[nH]2)N bc033 c1cc2c(cccc2S(=O)(=O)Cl)c(c1)N=[N+]=[N-] bc035 c1cc2c(cc1N)sc(n2)C3=NC(CS3)C(=O)O bc036 CC1(CC(CC(N1[O])(C)C)NC(=O)c2c3ccccc3nc4c2cccc4)C bc038 c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)Oc2c(c(c(c(c2F)F)S(=O)(=O)[O-])F)F.[Na+] bc040 C(c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F)N.Cl bc041 CC(=O)N1c2ccc(cc2Oc3c1ccc(c3)O)O bc043 c1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)[O-])c4ccc(c5c4cccc5S(=O)(=O)[O-])Nc6ccccc6.[K+].[K+] bc046 c1ccc(cc1)C(=O)c2ccc(cc2)N3C(=O)C=CC3=O bc056 c1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CI bc057 CN(C)c1ccc2cc(ccc2c1)C(=O)CBr bc062 c1cc(cc2c1cc(c(=O)o2)C#N)O bc065 CN(C)c1ccc(c2c1cccc2)N=C=NC3CCCCC3 bc066 CCOc1ccc2cc(c(=O)oc2c1)C#N bc068 CC(=O)OCOC(=O)c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)OC(=O)C)OC(=O)C bc069 c1cc2c(cc(=O)oc2cc1N)CCl bc076 c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O bc078 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccc(cc4C(=O)[O-])C(=O)ON5C(=O)CCC5=O)N(C)C bc079 c1cc(c(cc1C(=O)ON2C(=O)CCC2=O)C(=O)[O-])c3c4cc5c6c(c4[o+]c7c3cc8c9c7CCCN9CCC8)CCCN6CCC5 bc085 c1cc(c(cc1C(=O)ON2C(=O)CCC2=O)c3c4cc5c6c(c4[o+]c7c3cc8c9c7CCCN9CCC8)CCCN6CCC5)C(=O)[O-] bc086 c1cc(c(cc1C(=O)O)c2c3cc4c5c(c3[o+]c6c2cc7c8c6CCCN8CCC7)CCCN5CCC4)C(=O)[O-] bc087 c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C4(c5ccc(cc5Oc6c4ccc(c6)O)O)OC2=O bc088 c1ccc2c(c1)cc(c(=O)o2)C(=O)ON3C(=O)CCC3=O bc092 c1cc(ccc1Cc2c(=O)n-3cc([nH]c(c3n2)CC4CCCC4)c5ccc(cc5)O)O bc095 c1ccc(cc1)Cc2c(=O)n-3cc([nH]c(c3n2)CC4CCCC4)c5ccc(cc5)O bc096 c1ccc2c(c1)c(=O)c(c-3oc4cc(ccc4nc23)[N+](=O)[O-])Cl bc098 c1cc2c(cc1Nc3nc(nc(n3)Cl)Cl)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O bc099 CN(C)c1ccc2c(c1)cccc2S(=O)(=O)Cl bc101 CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)Cl bc102 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN bc106 CN(C)c1ccc2c(cc(=O)oc2c1)CC(=O)O bc108 CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CSSC[C@@H](C(=O)O)NS(=O)(=O)c3cccc4c3cccc4N(C)C)C(=O)O bc109 CN(C)c1cccc2c1cccc2S(=O)(=O)N3CC3 bc110 CCN(CC)c1ccc(cc1)/C=C/c2cc[n+](cc2)C.[I-] bc118 CCC[n+]1c2ccccc2sc1/C=C\C=C/C=C\3/N(c4ccccc4S3)CCC.[I-] bc120 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)N4C(=O)C=CC4=O)C bc125 CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)NN bc126 CN(C)c1ccc2c(cc(=O)oc2c1)CC(=O)ON3C(=O)CCC3=O bc127 CC1(CC(CC(N1[O-])(C)C)[N+](C)(C)CCO)C bc132 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1cc(ccc1OCCOc2ccc(cc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)F)F bc140 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1cc(ccc1OCCOc2ccc(cc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)Br)Br bc141 CN(C)c1ccc2cc(oc2c1)c3ccc(cc3)N=C=S.Cl bc143 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)CBr bc144 CN(CCN(C)C(=O)CI)c1ccc(c2c1non2)[N+](=O)[O-] bc152 c1cc(c(cc1[N+](=O)[O-])OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)[N+](=O)[O-])N(CC(=O)O)CC(=O)O bc153 c1c(cc2c3c1CCCN3CCC2)C=C(C#N)C#N bc156 CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5 bc158 CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)NCCN3C(=O)C=CC3=O bc165 CCOc1c(cc2c(cc(=O)oc2c1F)C)F bc167 CCCCCCCCCCCCCCCCCc1cc(=O)oc2c1cc(c(c2F)O)F bc168 CCN(CC)c1ccc2cc(c(=O)oc2c1)C(=O)NCCNC(=O)CI bc170 c1cc2c(cc1NC(=O)CI)C(=O)OC23c4cc(c(c(c4Oc5c3cc(c(c5Br)O)Br)Br)O)Br bc176 c1cc2c(cc1N3C(=O)C=CC3=O)C(=O)OC24c5cc(c(c(c5Oc6c4cc(c(c6Br)O)Br)Br)O)Br bc177 CCOc1ccc2ccc(=O)oc2c1 bc178 c1cc2c(cc1N=C=S)C(=O)OC23c4cc(c(c(c4Oc5c3cc(c(c5I)O)I)I)O)I bc179 CCOC(=O)C[n+]1cccc2c1ccc(c2)OC.[Br-] bc183 CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N=[N+]=[N-])N=[N+]=[N-].[Cl-] bc185 c1cc2c(cc1N=C=S)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O bc188 c1cc(cc2c1cc3c(n2)c4ccc(cc4[nH]3)N)N bc196 c1cc(cc2c1cc(c(=O)o2)C(=O)ON3C(=O)CCC3=O)O bc202 Cc1c2ccc(cc2oc(=O)c1CC(=O)O)O bc206 CC1(c2cc(ccc2N=C3C1=C(C(=O)C(=C3)Cl)Cl)O)C bc208 c1cc(ccc1Nc2ccc3cc(ccc3c2)S(=O)(=O)[O-])NC(=O)CI.[Na+] bc212 CN(CCOC(=O)CI)c1ccc(c2c1non2)[N+](=O)[O-] bc213 c1cc2c(cc1NC(=O)CI)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O bc215 c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)[O-].[Na+] bc218 c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)[O-].[K+] bc219 c1cc(ccc1Nc2ccc3cc(ccc3c2)S(=O)(=O)[O-])N4C(=O)C=CC4=O.[Na+] bc223 c1cc(c(cc1N2C(=O)C=CC2=O)O)C(=O)O bc224 COc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] bc225 Cc1ccc(cc1)S(=O)(=O)Nc2cc(cc3c2nccc3)OC bc227 c1c2cc(oc2cc(c1OCC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])c3ncc(o3)C(=O)[O-].[K+].[K+].[K+].[K+] bc228 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1cc2c(cc1OCC(=O)OCOC(=O)C)cc(o2)c3ncc(o3)C(=O)OCOC(=O)C bc229 c1cc(cc2c1cc([nH]2)c3ccc(c(c3)OCC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+] bc230 CC(=O)COCOC(=O)CN(CC(=O)OCOCC(=O)C)c1ccc(cc1)c2cc3ccc(cc3[nH]2)C(=O)OCOC(=O)C bc231 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C bc232 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C[N+](C)(C)C.[Br-] bc233 Cc1c(n2c(c(c(=O)n2c1=O)C)CCl)C bc234 COc1ccc2cc(c(=O)oc2c1)C(=O)ON3C(=O)CCC3=O bc235 COc1ccc2cc(c(=O)oc2c1)C(=O)O bc236 c1cc(ccc1C(=O)C=O)[N+](=O)[O-].O bc243 c1ccc2cc3c(cc2c1)C(=O)N(C3=O)CCOS(=O)(=O)C(F)(F)F bc244 CCC(=O)c1ccc2cc(ccc2c1)N(C)C bc261 c1cc2ccc3ccc(c4c3c2c(c1)cc4)N=C=S bc262 c1cc2ccc3ccc(c4c3c2c(c1)cc4)C=[N+]#N bc266 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CNC(=O)CI bc267 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCCCC(=O)O bc269 Cc1ccc(c(c1)OCc2ccc3cc(cc(c3n2)N(CC(=O)O)CC(=O)O)OC)N(CC(=O)O)CC(=O)O bc271 COc1ccc2c(c1)oc-3cc(=O)ccc3n2 bc273 CCOc1ccc2c(c1)oc-3cc(=O)ccc3n2 bc274 c1ccc(cc1)COc2ccc3c(c2)oc-4cc(=O)ccc4n3 bc276 CNc1ccccc1C(=O)ON2C(=O)CCC2=O bc281 CCCCCN(CCCCC)c1ccc(cc1)/C=C/C=C/c2cc[n+](cc2)CCCCS(=O)(=O)[O-] bc284 Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)c1ccc(cc1)/C=C/C=C/C=C/c2ccccc2 bc292 CC1(CC(CC(N1[O])(C)C)[N+](C)(C)C)C.[I-] bc294 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4)N(C)C.[Cl-] bc295 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccc(cc4C(=O)[O-])N=C=S)N(C)C bc302 Cc1ccc(cc1)n2nc(n[n+]2c3ccc(cc3)C)C#N.[Cl-] bc319 CC(C)(C)OC(=O)C(c1ccccc1[N+](=O)[O-])OC(=O)CCCNC(=O)OC(C)(C)C bc322 C[n+]1c2ccccc2sc1C=C3C=CN(C=C3)CCC[N+](C)(C)C.[I-].[I-] bc327 Cc1c(sc(n1)[n+]2nc(nn2c3ccc(cc3)S(=O)(=O)[O-])c4cccc(c4)OCC(=O)O)C bc340 C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)c2c(c(c(c(c2F)F)N=[N+]=[N-])F)F)S(=O)(=O)[O-].[Na+] bc346 C1CC(=O)N(C1=O)OC(=O)C(C(C(=O)ON2CC(=O)CC2=O)O)O bc363 COC(=O)CCCCC(=O)ON1C(=O)CCC1=O bc365 C1CC(=O)N(C1=O)OC(=O)CCCC(=O)ON2C(=O)CCC2=O bc366 C1C(C(=O)N(C1=O)OC(=O)CCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O bc367 C1(=C(S(=O)(=O)C(=C1Cl)Cl)Cl)Cl hs086 C1CCC2(CC1)C(=O)C3(C2=S)CCCCC3 hs096 CCN(CC)C(=O)c1ccccc1O s019 COc1ccc(cc1)CCNS(=O)(=O)C f013a Cc1ccncc1Br ct051vp1 COC(=O)c1ccncc1Br ct051de1 c1cc2c(cc1N)c(ncn2)O f008de1 c1cc(c2c(c1)ncnc2O)N f008de2 c1cc2c(cc1Cl)[nH]cnc2=O f008ade1 c1c(cc(c2c1c(ncn2)O)Cl)Cl f008ade2 c1cc2c(cc1Cl)c(ncn2)O f008ade3 Cc1cc(cc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] f072de1 Cc1c(ccc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] f072de2 Cc1cc(c(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] f072de3 c1ccc(cc1)C(c2ccccc2)N3CCCN(CC3)C(c4ccccc4)c5ccccc5 un007np1 B(c1cc(cnc1)C)(O)O un080 B(c1cnccc1C)(O)O un083 B(c1ccc(nc1F)F)(O)O un085 c1cc2ccnc(c2nc1)N a041 CC(C)N1CCCC1CN a043 CCN1CCCC1CNC a044 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccccc5 bc372 c1ccnc(c1)NC(=O)C(CC2CCCC2)c3ccc(c(c3)Cl)Cl s048 c1c(c(cnc1Cl)CO)Cl ct010fp1 c1c(c(cnc1Cl)CCl)Cl ct010fp2 c1c(c(cnc1Cl)CC(=O)O)Cl ct010fp4 C/C(=C\C1C(C1(C)C)C(=O)O)/C(=O)O a047 C1CC2(CCC1O)SCCS2 a051 C1COCCN1CC(=O)O a052 C1COCCN1CCC(=O)O a053 C1CCN(C1)CC(=O)O a054 C1CCN(C1)CCC(=O)O a055 c1cc(ccc1CCN)C(F)(F)F a056 c1cc(c(c(c1)Cl)Cl)CCN a057 COc1cccc(c1OC)CC(=O)O a058 Cc1cccc(c1C)CN a059 COc1ccc(c(c1)OC)CCN a060 Cc1ccc(c(c1)C)CCN a062 c1ccc(cc1)COc2cccc(c2)CCN a064 c1cc(nnc1)C(=O)O a065 Cc1ccc(cc1OC)N a069 CN(C)c1ccc(cc1)CCN a070 CN1CCN(CC1)CC(=O)O a071 CN1CCN(CC1)CCC(=O)O a072 c1c(c2c(o1)CCCC2=O)C(=O)O a073 CC([C@H]1CC[C@H](CC1)N)(C)C a074 Cc1ccn2c(c1)ncc(c2=O)C(=O)O a075 C1CCC(C1)CN.Cl a076 c1c[nH]nc1C(=O)O a078 c1csc(n1)C(=O)O a079 CN(C)/N=C/c1ccccc1 a083 c1ccc2c(c1)cc(cn2)O a084 c1ccc(cc1)C(c2ccccc2)(Br)Br s060 c1cc(ccc1N)Oc2ccc(cc2Cl)Cl un091 B(c1cccc(n1)Br)(O)O un092 B(c1cccc(n1)OC)(O)O un093 B(c1cccc(n1)C)(O)O un094 B(c1ccc(cn1)C)(O)O un095 B(c1cc(ccn1)C)(O)O un096 B(c1ccccn1)(O)O un097 c1ccnc(c1)c2cc(cc(n2)c3ccccn3)C(=O)O un102 CCOC(=O)c1cc(nc(c1)c2ccccn2)c3ccccn3 un103 CCOC(=O)c1cc(nc(c1)c2ccc(cn2)C)c3ccc(cn3)C un104 CCOC(=O)c1cc(nc(c1)c2cccc(n2)C)c3cccc(n3)C un107 CCOC(=O)c1cc(nc(c1)c2cccc(n2)CBr)c3cccc(n3)CBr un108 c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O ct316 c1ccc(cc1)c2ccnc(c2)N ct317 c1ccc2c(c1)ccc(n2)Br ct318 c1cncc(c1O)C(=O)O ct342 c1cnc(nc1N)Cl ct355 Cc1cc(ncn1)Cl ct356 Cc1cc(ncn1)O ct360 c1c(cc(c(c1[N+](=O)[O-])CBr)[N+](=O)[O-])[N+](=O)[O-] jg032 CC1=CC(=CC1=C(C)C)C(C)(C)C a085 Cc1ccc2c(c1)ncc(n2)c3ccccc3 a089 c1ccc(cc1)c2cnc3cc(ccc3n2)C(=O)O a090 c1ccc(cc1)c2cnc3cc(ccc3n2)[N+](=O)[O-] a091 c1cc2c(cc1[N+](=O)[O-])ncc(n2)N a092 Cc1ccc2c(c1)cnc(n2)c3ccccc3 a093 Cc1ccc2c(c1)cnc(n2)N a094 c1cc2c(cc1Br)cnc(n2)N a095 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccccc4)Cc5ccccc5 a101 c1cc(c(nc1)F)Br a112 c1cncc(c1F)Br a113 c1c(cncc1Br)F a114 c1cc(ncc1Br)F a115 C(=O)c1c(nc(s1)Cl)Cl a116 Cc1cccnc1S(=O)(=O)O cdp003 c1cc(c(nc1)F)O cdp005 c1cc(c(nc1)C(=O)O)F cdp006 c1cc(c(nc1)O)[N+](=O)[O-] cdp007 c1ccc(cc1)c2c(cccn2)[N+](=O)[O-] cdp008 c1ccc(cc1)c2cccnc2C(=O)O cdp011 c1ccc(cc1)c2c(cccn2)N cdp012 c1ccc(cc1)c2c(cccn2)Br cdp017 c1cc(c(nc1)S(=O)(=O)O)O cdp019 c1ccc(cc1)c2cccnc2N cdp020 c1cc(c(nc1)O)O cdp021 c1cc(c(nc1)O)N cdp026 c1cc(c(nc1)C(=O)O)Cl cdp027 c1cc(c(nc1)S(=O)(=O)O)N cdp029 c1cc(c(nc1)S(=O)(=O)O)[N+](=O)[O-] cdp030 c1cc(c(nc1)[N+](=O)[O-])Br cdp032 c1cc(c(nc1)[N+](=O)[O-])Cl cdp033 c1cc(c(nc1)Br)F cdp034 c1cc(c(nc1)Br)N cdp035 c1cc(c(nc1)N)Cl cdp036 c1cc(c(nc1)Cl)[N+](=O)[O-] cdp038 c1ccc(cc1)c2cccnc2c3ccccc3 cdp039 c1ccc(cc1)c2c(cccn2)C(=O)O cdp040 c1cc(c(nc1)[N+](=O)[O-])C(=O)O cdp041 c1ccc(cc1)c2cccnc2Br cdp042 c1ccc(cc1)c2cccnc2Cl cdp044 c1cc(c(nc1)C(=O)O)Br cdp045 c1ccc(cc1)c2cccnc2O cdp046 c1cc(c(nc1)N)F cdp047 Cc1c(cccn1)C(=O)O.Cl cdp048 c1cc(c(nc1)Br)[N+](=O)[O-] cdp049 Cc1cccnc1[N+](=O)[O-] cdp051 c1cc(c(nc1)Cl)F cdp052 c1cc(c(nc1)N)S(=O)(=O)O cdp053 c1cc(c(nc1)[N+](=O)[O-])[N+](=O)[O-] cdp054 c1cc(c(nc1)O)Br cdp055 c1cc(c(nc1)O)Cl cdp056 c1cc(c(nc1)[N+](=O)[O-])N cdp057 c1cc(c(nc1)O)S(=O)(=O)O cdp058 c1cc(c(nc1)Cl)S(=O)(=O)O cdp059 c1cc(c(nc1)S(=O)(=O)O)S(=O)(=O)O cdp060 c1cc(c(nc1)C(=O)O)S(=O)(=O)O cdp061 c1ccc(cc1)c2c(cccn2)O cdp063 Cc1c(cccn1)c2ccccc2 cdp064 Cc1cccnc1F cdp065 c1cc(c(nc1)F)N cdp067 c1cc(c(nc1)O)F cdp068 c1cc(c(nc1)F)F cdp069 c1cc(c(nc1)F)[N+](=O)[O-] cdp070 c1cc(c(nc1)F)Cl cdp071 c1cc(c(nc1)F)C(=O)O cdp072 c1cnc(cc1C(=O)O)F cdp073 c1cnc(cc1N)N cdp074 Cc1cc(ccn1)F cdp075 Cc1ccnc(c1)c2ccccc2 cdp078 c1ccc(cc1)c2cc(ccn2)O cdp079 Cc1cc(ccn1)Cl cdp080 Cc1ccnc(c1)C(=O)O cdp081 Cc1cc(ccn1)C(=O)O cdp082 c1cnc(cc1[N+](=O)[O-])N cdp083 c1cnc(cc1[N+](=O)[O-])O cdp084 c1cnc(cc1Cl)C(=O)O cdp085 c1cnc(cc1[N+](=O)[O-])Br cdp086 c1cnc(cc1C(=O)O)N cdp088 c1cnc(cc1[N+](=O)[O-])C(=O)O cdp090 c1cnc(cc1S(=O)(=O)O)C(=O)O cdp091 c1cnc(cc1[N+](=O)[O-])[N+](=O)[O-] cdp093 c1cnc(cc1N)[N+](=O)[O-] cdp094 Cc1cc(ccn1)c2ccccc2 cdp095 Cc1ccnc(c1)[N+](=O)[O-] cdp097 c1cnc(cc1[N+](=O)[O-])F cdp098 Cc1cc(ccn1)O cdp100 Cc1ccnc(c1)S(=O)(=O)O cdp101 c1cnc(cc1C(=O)O)S(=O)(=O)O cdp102 c1ccc(cc1)c2ccnc(c2)O cdp103 c1ccc(cc1)c2cc(ccn2)N cdp105 c1cnc(cc1O)F cdp106 Cc1cc(ccn1)Br cdp107 c1cnc(cc1O)C(=O)O cdp108 c1ccc(cc1)c2ccnc(c2)c3ccccc3 cdp111 c1cnc(cc1Cl)Cl cdp112 c1cnc(cc1Br)C(=O)O cdp113 c1cnc(cc1C(=O)O)[N+](=O)[O-] cdp114 c1cnc(cc1O)N cdp115 c1cnc(cc1F)F cdp116 c1cnc(cc1F)Cl cdp117 c1cnc(cc1O)Br cdp119 c1ccc(cc1)c2ccnc(c2)Cl cdp121 c1ccc(cc1)c2ccnc(c2)C(=O)O cdp122 c1ccc(cc1)c2ccnc(c2)Br cdp123 c1ccc(cc1)c2cc(ccn2)C(=O)O cdp125 c1ccc(cc1)c2cc(ccn2)Cl cdp126 c1cnc(cc1Cl)[N+](=O)[O-] cdp127 c1cnc(cc1C(=O)O)Br cdp128 c1cnc(cc1Br)N cdp131 c1cnc(cc1F)O cdp132 c1cnc(cc1O)[N+](=O)[O-] cdp133 c1ccc(cc1)c2ccnc(c2)F cdp134 c1cnc(cc1Br)F cdp135 Cc1cc(ccn1)S(=O)(=O)O cdp136 c1cc(ncc1C(=O)O)F cdp137 c1cc(ncc1[N+](=O)[O-])F cdp138 Cc1ccc(nc1)O cdp139 Cc1ccc(nc1)[N+](=O)[O-] cdp140 c1cc(ncc1Cl)F cdp141 c1cc(ncc1N)F cdp142 Cc1ccc(cn1)c2ccccc2 cdp144 Cc1ccc(cn1)Br cdp145 Cc1ccc(nc1)C(=O)O cdp147 Cc1ccc(cn1)S(=O)(=O)O cdp148 c1cc(ncc1S(=O)(=O)O)C(=O)O cdp149 c1cc(ncc1S(=O)(=O)O)O cdp151 c1cc(ncc1N)[N+](=O)[O-] cdp152 c1cc(ncc1[N+](=O)[O-])[N+](=O)[O-] cdp153 c1cc(ncc1O)[N+](=O)[O-] cdp154 c1ccc(cc1)c2ccc(nc2)c3ccccc3 cdp155 c1cc(ncc1S(=O)(=O)O)N cdp156 c1cc(ncc1C(=O)O)S(=O)(=O)O cdp157 c1cc(ncc1S(=O)(=O)O)S(=O)(=O)O cdp158 c1cc(ncc1S(=O)(=O)O)Cl cdp159 Cc1ccc(cn1)[N+](=O)[O-] cdp160 c1cc(ncc1F)N cdp161 Cc1ccc(nc1)c2ccccc2 cdp162 c1ccc(cc1)c2ccc(cn2)Br cdp163 c1ccc(cc1)c2ccc(cn2)C(=O)O cdp164 c1cc(ncc1[N+](=O)[O-])C(=O)O cdp165 c1cc(ncc1F)Cl cdp168 c1cc(ncc1C(=O)O)[N+](=O)[O-] cdp169 c1ccc(cc1)c2ccc(nc2)N cdp170 c1cc(ncc1O)Cl cdp172 c1ccc(cc1)c2ccc(cn2)Cl cdp176 c1ccc(cc1)c2ccc(cn2)O cdp177 c1ccc(cc1)c2ccc(nc2)Cl cdp178 c1ccc(cc1)c2ccc(nc2)C(=O)O cdp180 c1cc(ncc1F)F cdp182 c1ccc(cc1)c2ccc(cn2)[N+](=O)[O-] cdp184 c1ccc(cc1)c2ccc(nc2)[N+](=O)[O-] cdp185 c1ccc(cc1)c2ccc(nc2)Br cdp186 c1cc(ncc1F)C(=O)O cdp187 c1ccc(cc1)c2ccc(cn2)N cdp188 c1cc(ncc1O)S(=O)(=O)O cdp189 c1cc(ncc1[N+](=O)[O-])S(=O)(=O)O cdp190 c1cc(nc(c1)F)C(=O)O cdp191 c1cc(nc(c1)F)N cdp192 c1ccc(cc1)c2cccc(n2)Cl cdp195 c1cc(nc(c1)[N+](=O)[O-])N cdp197 Cc1cccc(n1)[N+](=O)[O-] cdp198 Cc1cccc(n1)S(=O)(=O)O cdp199 c1cc(nc(c1)S(=O)(=O)O)C(=O)O cdp200 c1ccc(cc1)c2cccc(=O)[nH]2 cdp201 c1cc(nc(c1)Br)C(=O)O cdp202 c1cc(nc(c1)[N+](=O)[O-])C(=O)O cdp204 c1ccc(cc1)c2cccc(n2)C(=O)O cdp205 c1cc(nc(c1)Cl)N cdp206 Cc1cccc(n1)c2ccccc2 cdp207 Cc1cccc(n1)O cdp208 c1cc(nc(c1)Cl)[N+](=O)[O-] cdp209 c1cc(nc(c1)Br)Cl cdp211 c1cc(nc(c1)F)O cdp213 c1cc(nc(c1)S(=O)(=O)O)S(=O)(=O)O cdp215 c1cc(nc(c1)S(=O)(=O)O)N cdp216 c1cc(nc(c1)Cl)S(=O)(=O)O cdp217 c1cc(nc(c1)Br)F cdp218 c1ccc(cc1)c2cccc(n2)F cdp219 c1ccc(cc1)c2cc(cnc2)c3ccccc3 cdp220 Cc1cc(cnc1)F cdp222 c1c(cncc1[N+](=O)[O-])N cdp223 Cc1cc(cnc1)C(=O)O cdp225 Cc1cc(cnc1)Br cdp226 Cc1cc(cnc1)N cdp227 c1c(cncc1O)N.Cl.Cl cdp228 c1c(cncc1O)O cdp229 c1c(cncc1N)N cdp230 c1c(cncc1S(=O)(=O)O)C(=O)O cdp231 c1ccc(cc1)c2cc(cnc2)C(=O)O cdp233 c1c(cncc1S(=O)(=O)O)S(=O)(=O)O cdp234 c1c(cncc1Br)[N+](=O)[O-] cdp236 Cc1cc(cnc1)Cl cdp237 c1c(cncc1Cl)[N+](=O)[O-] cdp238 c1c(cncc1Cl)N cdp239 c1c(cncc1N)C(=O)O cdp240 c1ccc(cc1)c2cc(cnc2)N cdp242 c1ccc(cc1)c2cc(cnc2)O cdp243 Cc1cc(cnc1)O cdp244 c1c(cncc1Br)Cl cdp245 c1ccc(cc1)c2cc(cnc2)[N+](=O)[O-] cdp246 c1ccc(cc1)c2cc(cnc2)Br cdp247 c1c(cncc1O)[N+](=O)[O-] cdp248 c1c(cncc1F)O cdp249 c1ccc(cc1)c2cc(cnc2)Cl cdp251 c1cncc(c1C(=O)O)F cdp252 Cc1ccncc1F cdp253 Cc1ccncc1O cdp254 Cc1cnccc1[N+](=O)[O-] cdp255 c1cncc(c1N)[N+](=O)[O-] cdp256 Cc1cnccc1N cdp257 Cc1cnccc1c2ccccc2 cdp258 c1cncc(c1N)F cdp259 c1cncc(c1Br)F.Cl cdp260 Cc1cnccc1C(=O)O cdp263 c1cncc(c1C(=O)O)S(=O)(=O)O cdp264 Cc1ccncc1S(=O)(=O)O cdp265 c1ccc(cc1)c2ccncc2c3ccccc3 cdp266 c1cncc(c1N)C(=O)O cdp268 Cc1cnccc1Br.Cl cdp269 c1cncc(c1O)O cdp271 c1cncc(c1[N+](=O)[O-])Cl cdp273 c1cncc(c1[N+](=O)[O-])O cdp275 c1cncc(c1[N+](=O)[O-])N cdp276 c1cncc(c1S(=O)(=O)O)C(=O)O cdp279 Cc1cnccc1S(=O)(=O)O cdp280 c1cncc(c1[N+](=O)[O-])[N+](=O)[O-] cdp281 c1ccc(cc1)c2cnccc2Cl cdp283 Cc1ccncc1c2ccccc2 cdp284 c1cncc(c1N)Cl cdp285 Cc1cnccc1O cdp287 c1cncc(c1O)F cdp288 Cc1cnccc1F cdp290 c1cncc(c1[N+](=O)[O-])S(=O)(=O)O cdp292 c1cncc(c1F)F cdp300 c1cncc(c1O)Cl cdp303 c1ccc(cc1)c2ccncc2Cl cdp304 c1cncc(c1[N+](=O)[O-])C(=O)O cdp305 c1ccc(cc1)c2ccncc2O cdp306 c1ccc(cc1)c2ccncc2C(=O)O cdp307 c1ccc(cc1)c2cnccc2C(=O)O cdp308 c1ccc(cc1)c2ccncc2N cdp310 c1ccc(cc1)c2ccncc2[N+](=O)[O-] cdp312 c1ccc(cc1)c2cnccc2Br cdp314 c1ccc2c(c1)cc(o2)CC(=O)O s034 CN1CCC2=C(C1Cc3ccc(cc3)OC)CCCC2.Cl a118 CC(C)(C)OC(=O)c1ccnc(c1)N2CCOCC2 cin048de4 c1ccc(cc1)COc2cccc3c2[nH]cc3 un109 Cc1cccc(c1N)OCc2ccccc2 un110 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])I un033de1 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)I)[N+](=O)[O-] un033de2 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])Br un033de3 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)Br)[N+](=O)[O-] un033de5 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])Cl un033de6 c1c(cc(c(c1[N+](=O)[O-])C(=O)O)Cl)[N+](=O)[O-] un033de7 COc1cc(cc(c1C(=O)O)[N+](=O)[O-])[N+](=O)[O-] un033de8 COc1cc(c(c(c1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-] un033de9 c1cc(cc(c1)C(=O)C=O)C#N.O un111de1 c1ccc(cc1)N2CCN(C2=C3N(CCN3c4ccccc4)c5ccccc5)c6ccccc6 a119 CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C a120 c1ccc2c(c1)c(cc(c2O)Cl)O a122 c1cc(ccc1CCC(=O)c2ccc(cc2O)O)O a123 C/C=C/c1cc(c(c(c1)OC)OC)OC a126 COc1ccc(cc1)CCC(=O)c2ccc(cc2O)O a128 COc1ccc(c(c1)O)C(=O)CCc2ccc(cc2)O a129 CC1CCC(C1=O)(C)C a130 c1c(cc(c(c1C(=O)O)O)Nc2nc(nc(n2)Nc3cc(cc(c3O)C(=O)O)S(=O)(=O)[O-])Nc4cc(cc(c4O)C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] a131 CCOc1cnc([nH]c1=O)OCC a132 C=CC=C1c2ccccc2CCc3c1cccc3 a133 Cc1ncc(n1CC2CO2)[N+](=O)[O-] a134 c1cc(cc2c1cc[nH]2)N md003 COC(=O)c1cccc2c1cc[nH]2 md006 COc1cccc2c1[nH]cc2 md007 c1cc2c(cc[nH]2)nc1 md008 c1ccc(cc1)COc2ccc3c(c2)cc[nH]3 md012 c1c[nH]c2c1ccnc2 md013 c1cc2c(cc[nH]2)c(c1)O md016 c1cc2c(cc[nH]2)cc1Cl md017 CCOc1cc(ccn1)N a007de1 Cc1c(c(c(c(c1CBr)C)C)CBr)C hs2-b024vp1 C1c2c3c(c4c(c2CS1)CSC4)CSC3 hs2-b024vp3 CCOc1ncc(c(n1)Cl)F jg069 CCOc1c(cnc(n1)OCC)F jg069de2 c1ccc(cc1)Cc2cc3cc(ccc3[nH]2)Cl md017fp01 c1ccc(cc1)Sc2cc3cc(ccc3[nH]2)Cl md017fp02 c1cc2c(cc1Cl)C(C(=O)N2)(Br)Br md017fp03 c1cc2c(cc1Cl)c(c[nH]2)[N+](=O)[O-] md017fp04vp1 c1cc2c(cc1Cl)c(c[nH]2)CCc3ccncc3 md017fp05 c1cc2c(cc1Cl)c(c[nH]2)Br md017fp06 c1cc2c(cc1Cl)c(c[nH]2)I md017fp07 c1cc2c(cc1Cl)c(c[nH]2)CCN md017fp08 c1cc2c(cc1Cl)c(c[nH]2)CCC(=O)O md017fp09 c1ccc(cc1)Sc2c[nH]c3c2cc(cc3)Cl md017fp10 CC(=O)c1c[nH]c2c1cc(cc2)Cl md017fp11 c1c(c(cnc1Cl)C(F)(F)F)C=O cia002 Cc1cc(cc(n1)Cl)C=O cia004 c1c(cc(nc1Br)Br)C=O cia006 Cc1cc(c(c(n1)OC)[N+](=O)[O-])C=O cia009 COc1cncc(c1C=O)OC cia011 Cc1cncc(c1C=O)Br cia012 Cc1cncc(c1C=O)C cia013 COc1c(ccnc1Br)C=O cia014 c1cnc(cc1C=O)O cia015 c1c(c(c(nc1Cl)Cl)O)C=O cia016 c1cncc(c1C=O)[N+](=O)[O-] cia017 c1cnc(cc1C=O)C#N cia019 c1cnc(cc1C=O)F cia020 c1cnc(cc1C=O)Br cia021 c1c(cc(nc1Cl)Cl)C=O cia022 c1c(c(cnc1Cl)Cl)C=O cia024 c1cnc(cc1C=O)Cl cia025 Cc1cnccc1C=O cia026 c1cncc(c1C=O)Cl cia027 C(=O)c1c(c(nc(c1Cl)Cl)Cl)Cl cia031 Cc1cc(ccn1)C=O cia032 c1cncc(c1C=O)N cia033 COc1cc(cc(n1)OC)C=O cia034 c1cncc(c1C=O)F cia035 Cc1cc(cc(n1)C)C=O cia036 C(=O)c1c(c(nc(c1Cl)F)F)Cl cia037 c1cncc(c1C=O)O cia038 Cc1cnc(c(c1C=O)O)C cia039 C1COCC1CI cic001 C1CCCC(CCC1)CI cic002 C1CCC2CC(CCC2C1)CI cic003 C1COCCN1CI cic004 C1CCN(C1)CI cic005 C1CCCC(CC1)CI cic008 c1ccc2c(c1)CC(N2)CI cic016 c1cc(c(cc1CI)Cl)Cl cic017 c1cc(cnc1)CI cic018 C1CCC(OCC1)CI cic022 c1ccc2c(c1)cc(c3c2cccc3)CI cic025 c1ccc2c(c1)CCCC2CI cic027 c1cc(c(cc1Cl)Cl)CI cic028 C(c1c(c(c(c(c1F)F)F)F)F)I cic029 c1ccc2c(c1)CCC(C2)CI cic035 Cc1ccc(c(c1)C)CI cic036 C1CCN(CC1)CI cic040 C1C=CCC1CI cic041 c1ccc2c(c1)C(CO2)CI cic043 c1ccc2c(c1)-c3ccccc3C2CI cic044 C1COC(CO1)CI cic045 C1CCOC(C1)CI cic047 C1CC1CI cic048 c1ccc2cc(ccc2c1)CI cic050 c1ccc2c(c1)cccc2CI cic051 c1ccc2c(c1)OCC(O2)CI cic052 C1CC(C1)CI cic053 C1CC(OC1)CI cic054 C1CCC(CC1)CI cic055 C1C(O1)CI cic056 CC(C)(C)[Si](C)(C)Oc1cc2c(cc1Cl)c(=O)c3cc(c(cc3o2)O[Si](C)(C)C(C)(C)C)Cl f117 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)Br)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C f119 Cc1ccc(c(c1)OCCOc2ccccc2[N+](=O)[O-])[N+](=O)[O-] f114 c1c(c(cc(c1Cl)O)O)C(=O)O f111 CCOC(=O)CC(=O)c1cc(cnc1)Br ct099de1 c1cc2cscc2c3c1csc3 hs2-b024de1 c1cc2c(c3c1CS(=O)C3)CS(=O)C2 hs2-b024d1v1 c1cc2c(c3c1CSC3)CSC2 hs2-b024de1vp2 c1cc(c(c(c1CBr)CBr)CBr)CBr hs2-b024de1vp3 CC1C(=NNC1=O)C bc232vp1 CCN(CC)c1ccc2c(c1)[o+]c3cc(ccc3c2C#N)N(CC)CCCCCC(=O)ON4C(=O)CCC4=O.[Cl-] un114 C[Si](C)(C1c2ccccc2-c3c1cccc3)Cl un115 c1ccc(cc1)[Si](c2ccccc2)(C3c4ccccc4-c5c3cccc5)Cl un116 CC(C)(C)c1ccc2c(c1)-c3cc(ccc3C2[Si](C)(C)Cl)C(C)(C)C un117 Cc1cc(cc(n1)O)O ct364b c1c(c(cnc1Cl)C(=O)O)Cl ct365 CCOc1ccnc(c1)N ct368 c1ccc2c(c1)Cc3ccccc3N=C2CCl ct397 C1CN(CCC1O)c2nc(c(s2)C=O)Cl a116de4 CCOC(=O)c1cc(ncc1C)Cl cin047np1 CCOC(=O)c1ccncc1C cin047vp1 C(=O)(C(C(C(=O)O)(O)O)(O)O)O un118 c1cc2c(c[nH]c2c(c1)O)CC(C(=O)O)N vk081 c1ccc(cc1)COc2cccc3c2[nH]cc3CC(C(=O)O)N vk081de1 c1cc([n+](c(c1)C(=O)O)[O-])C(=O)O hs105 c1cc(c2cc3c(ccc(c3cc2c1O[Ac])O[Ac])O[Ac])O[Ac] hs112 c1cc(=O)c2c(c1=O)sc3c(=O)ccc(=O)c3s2 hs116 c1cc(ncc1N)O.Cl f009 c1cc2c(cc[nH]2)cc1C(F)(F)F a135 CC(=O)c1cccc(c1)C(=O)c2ccccc2 a136 c1cnccc1S(=O)(=O)O a137 c1c[nH]cc1CCCC(=O)O a138 Cc1c(c(=O)n2c(n1)CCCC2)CCCl a141 CC(C)(CC=O)C#N a142 CN(C)/C=C(\C#N)/C(=O)c1ccccc1 vk131 B(c1ccc(nc1)C)(O)O un119 COC(=O)c1cc(nc(c1N)Cl)Cl cin112f1 B(c1c(cc(nc1C)C)C)(O)O pb009 B(c1cc(cnc1C)C)(O)O pb010 B(c1ccc(nc1C)C)(O)O pb011 c1ccc2c(c1)c(=O)c3c(c2=O)sc4c(=O)c5ccccc5c(=O)c4s3 hs130 CCOC(=O)[C@H]([C@@H](C)O)N.Cl hs164 Cc1c(c(=O)c2c(c1=O)sc3c(=O)c(c(c(=O)c3s2)C)C)C hs131 CC1=C(C(=O)C(=C(C1=O)C)Br)C hs182 CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl hs185 COc1ccc(cc1)C(=O)c2cccnc2C(=O)O jg037 CCOC(=O)c1cnc2ccc(cc2c1O)F jg070 C1CSC2=C(S1)SC(=C3SC4=C(S3)SCCS4)S2 jg019 c1cc(c(cc1Cl)Cl)OCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-].[Na+] a144 Cc1cc(cnc1)C(=O)N cdp225de1 COC(=O)c1ccncc1N f002de1 CC(C)(C)OC(=O)Nc1ccc(nc1)OC cin106de1 CC(C)(C)OC(=O)Nc1cnc(cc1C(=O)O)OC cin106de2 c1c[n+](cc(c1[N+](=O)[O-])F)[O-] cdp259vp1 c1cc([n+](cc1F)[O-])[N+](=O)[O-] cdp259vp2 c1c(cnc(c1Br)NN)[N+](=O)[O-] cdp236vp1 c1c(cnc(c1Br)Cl)[N+](=O)[O-] cdp236vp2 c1c(cnc(c1Br)O)[N+](=O)[O-] cdp236vp3 c1c(cncc1Br)C(=O)O cdp240vp1 c1c(cnc(c1Cl)O)[N+](=O)[O-] cdp238vp1 c1c(cnc(c1Cl)Cl)[N+](=O)[O-] cdp238vp2 c1c(cnc(c1Cl)NN)[N+](=O)[O-] cdp238vp3 B(c1ccc(nc1F)C)(O)O pb027 CC(=O)N1c2ccc(cc2Oc3c1ccc(c3)OC(=O)C)OC(=O)C bc043vp1 c1cnc(cc1Cl)C(=O)N cdp104vp1 c1cc(c(cc1N)C#N)Br a030 c1ccc(cc1)c2cccc(n2)C#N cdp205vp1 c1ccc(cc1)c2ccnc(c2)C#N cdp122vp1 c1cc(nc(c1)S)S cdp217np1 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccc(cc5)O s053 COC(=O)[C@H](CSC)N.Cl cdp180vp1 CN(C)/C=C(\C=O)/c1ccccc1 cdp180vp2 c1ccc(cc1)c2ccc(nc2)C#N cdp180vp4 Cc1c(cc(cc1[N+](=O)[O-])N)[N+](=O)[O-] a145 Cc1c(cc2c(c1O)C(=O)c3ccccc3C2=O)O a146 c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)CO)O a147 c1cc(cc(c1)O)/C=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] a149 c1ccc(c(c1)/C=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])O a150 c1ccc(cc1)/C=C/C=N/Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] a151 c1nc(c2c(n1)n(cn2)C[C@H]([C@H](C(=O)O)O)O)N a152 CCC(=O)CCC(=O)C a157 CC(=O)CCCC(=O)C a158 CCC(=O)CCCC(=O)C a159 c1cc(ccc1C2=Cc3ccc(cc3OC2)O)O a160 c1cc(ccc1C2=Cc3cc(c(cc3OC2)O)O)O a161 c1cc(c(cc1O)O)C(=O)/C=C/c2cc(c(c(c2)O)O)O a162 CC(C)N(C)CCc1c[nH]c2c1cc(cc2)OC a164 c1c[nH]c2c1cc(c(c2)O)O a165 c1ccc2c(c1)cc(o2)C#N a166 C/C(=C\C(=O)O)/CC(=O)O a168 CC(C)(C)NCC(c1cc(c(c(c1)Br)N)Cl)O a169 Cc1ccnc(c1N)F a174 Cc1cc(ncc1F)NC(=O)C a175 COc1ccc2c(c1)sc(n2)C(=O)O a176 c1cc(c(nc1)C#N)Cl cdp027vp1 CC(=O)SCC(=O)ON1C(=O)CCC1=O bc287 CC(=O)SCC(=O)O bc287vp1 CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C un122 Cc1cc([nH]c1C#N)C un124 c1cnc(cc1Cl)C=O un125 CC(C)(c1cccc(c1)O)O bc208vp1 c1cn(c(n1)[N+](=O)[O-])CC(COCC(F)(F)F)O un127 C1C(O1)COCC(F)(F)F un127vp1 c1ccc(cc1)C2C(CC(=O)O2)C(=O)O ct399 c1ccc(cc1)C(=O)Oc2c(cc(cc2I)C#N)I ct400 [H]/N=C(/N)\OCC.Cl a132vp1 c1cc2cnccc2cc1Br un129 c1cc2c(cc1O)sc(n2)C#N s040 CCCc1ccnc(c1)N a177 c1ccc(cc1)c2cc3cc(ccc3o2)N a179 Cc1cc2cc(ccc2o1)N a180 Cc1cc2cccc(c2o1)C(=O)O a181 c1ccc(cc1)c2cc3cccc(c3o2)N a182 Cc1c(oc2c1c(ccc2OC)[N+](=O)[O-])C a183 Cc1coc2c1cc(cc2)C(=O)O a184 Cc1c(oc2c1cc(cc2)C(=O)O)C a185 CC(=O)Nc1c2ccccc2oc1Cl a186 c1cc2ccncc2c(c1)C=O a189 c1cc2c(c(c1)C(=O)O)NC(=O)C2 a191 CCCCC(=O)c1ccccc1C(=O)O a192 CCOC(=O)c1ccnc(c1)C(=O)NC a194 COc1c(c(nc(n1)OC)OC)[N+](=O)[O-] a195 c1cc(nc(c1[N+](=O)[O-])C#N)Cl a196 CCc1c(ccc(n1)C)O a197 Cc1ccc2c(c1)C=CCC2(C)C a198 C[C@@H]1[C@@H](C[C@H](CC1=O)C(C)(C)O)C#N a199 CN(C)c1ccc-2c(c1)Cc3c2ccc(c3)[N+](=O)[O-] a201 CN1CCc2c1ccc(c2)[N+](=O)[O-] a202 CC(C)(C)C1=C/C(=C/C=C2C=CN(C=C2)C)/C=CC1=O a203 CC(C)(C)C1=CC(=CC=C2C=CN(C=C2)C)C=C(C1=O)C(C)(C)C a204 CCOC(=O)c1cc(cnc1)C#N a205 CCCc1ccnc(c1)C(=O)O pic005 CCCCc1ccnc(c1)C(=O)O pic006 CC(C)c1ccnc(c1)C(=O)O pic007 c1cnc(cc1N2CCOCC2)C(=O)O pic008 c1c(cnc(c1Br)C(=O)O)Br pic009 CC(C)(C)c1ccnc(c1)C(=O)O pic010 COC(=O)CCC1CCCCC1 a206 COC(=O)/C=C/C1CCCCC1 a207 c1ccc(cc1)NC(=O)CCCl ct123 Cn1cnc2c1ncnc2Cl ct354 COc1c(c(cc2c1C(=O)c3ccccc3C2=O)O)C=O un131 CC(=O)Nc1cc(c(cc1C(=O)O)C(=O)O)[N+](=O)[O-] ct401 CCOC(c1cc(=O)nc([nH]1)N)OCC ct402 CN(C)c1[nH]c(=O)ccn1 ct403 Cc1c(nc(nc1F)F)N ct404 Cc1c(sc(n1)C)CC(=O)O ct406 c1ccc2c(c1)cn[nH]c2=S ct407 C=C1C2(CCCCC2)OC(=O)O1 ct409 CC(C)(CN)N1CCCCC1 ct410 c1ccc2c(c1)cc(c(=O)o2)c3cccc(c3)N ct411 C1CC2C(C2(Br)Br)CCC3C1C3(Br)Br ct412 c1ccc2c(c1)CCNC2c3ccncc3 ct413 C1CS(=O)(=O)CC1NN.Cl ct414 CC(=O)C1=C(NC2=CC=CC=N21)O ct415 CCOC(=O)c1cn(nc1N)C ct416 COc1ccc2c(c1)nc([nH]2)CO ct417 CC1C(=O)Nc2cc(ccc2S1)N ct418 CC(=O)Nc1cc(ccn1)Cl cdp104fp1 COc1ccnc(c1)N cdp104fp2 c1cn2cc(nc2cc1Cl)Cl cdp104fp3 c1c(c(cnc1N)Cl)Cl cdp104fp4 COc1ccnc(c1[N+](=O)[O-])N cdp104fp5 c1cnc(c(c1Cl)[N+](=O)[O-])N cdp104fp6 c1c(c(cnc1N)[N+](=O)[O-])Cl cdp104fp7 Cc1cncc(c1N)Br cdp226fp1 c1cncc(c1C#N)Br ct051vp1fp1 Cc1ccncc1NC ct051vp1fp2 Cc1ccncc1C=O ct051vp1fp3 COc1c(c(ccn1)N)[N+](=O)[O-] cdp092fp1 c1cnc(c(c1N)[N+](=O)[O-])Cl cdp092fp2 CSc1ccnc(c1)Cl cdp092fp3 CC(C)NC(=O)Nc1ccnc(c1)Cl cdp092fp5 C1C(=O)OCC(=O)N1 ct419 Cc1cc(nc(c1C#N)N)C ct420 c1c(c(c(cn1)Br)[N+](=O)[O-])Br ct421 Cc1c(cc2ccc(cc2n1)OC)C(=O)O ct422 Cc1nc2c(ccs2)c(n1)Cl ct423 c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O ct424 CC(C)Sc1nc(cnn1)N ct425 CC(=O)N1CCc2ccccc2C1CC(=O)O ct426 c1cc(nc2c1c(cc(n2)O)C(=O)O)N ct427 c1ccc(cc1)Cn2c3ccccc3nc2C=O ct428 c1ccc2c(c1)c3cc(ccc3[nH]2)C(=O)O ct429 CS(=O)(=O)c1cc(c(c(c1)I)O)I ct430 c1c(cc(cc1Cl)Cl)N2CC(CC2=O)C(=O)O ct431 C1(=O)C(C(=O)NC(=O)N1)(Cl)Cl ct433 Cc1cc(nc(n1)N)C#N ct434 c1cc(ncc1S(=O)(=O)N)Cl ct435 Cc1cc(nc2c1c(ns2)Br)C ct436 c1cc(cc(c1)[N+](=O)[O-])C(=O)CCC(=O)O ct437 c1cncc(c1I)C(=O)O ct438 Cc1ccc(cc1)/N=c/2\n(c3ccccc3s2)C ct439 CC(=O)OC(c1ccccc1)C(=O)N2CCCC2 ct441 C(CCC(=O)O)CC(=O)N tv001 c1c(c(cc(c1N)C(=O)O)Cl)C(=O)O tv002 c1cc(cnc1)CCCN.Cl.Cl tv003 c1cnccc1CCCN.Cl.Cl tv004 c1ccc(cc1)CN2CCOC(C2)CC(=O)O tv005 CC(C)(C)OC(=O)NCc1ccc(c(c1)Br)F tv006 c1ccc(cc1)CN(CCCl)CCCl.Cl tv007 CN(C)CCCCC(=O)O.Cl tv008 CCOC(=O)CN1C(=O)CC(=O)NC1=O tv009 c1cc(cc(c1)C(=O)O)CO tv010 CNCCC(=O)O tv011 CN1C(=O)CC(=O)NC1=O tv012 c1ccc(cc1)C(C(=O)O)N2Cc3ccccc3C2=O tv013 CC(=O)CC(=O)c1ccncc1 tv014 C[C@H](CC#N)COC1CCCCO1 tv015 CCOc1ccnc(c1)OCC cdp112fp2 CSc1ccnc(c1)SC cdp112fp3 c1cnc(cc1I)I cdp112fp4 c1ccnc(c1)SCCCSc2ccccn2 ct006vp1fp1 c1ccnc(c1)SCC(F)(F)F ct006vp1fp2 c1ccc(cc1)c2cccnc2C#N cdp011vp1 c1cc(nc(c1O)I)Cl cdp172fp1 Cc1nc2ccncc2c(=O)o1 cdp268fp1 CCOC(=O)c1cnccc1N cdp268fp2 c1cncc2c1c(=O)[nH]c(=S)[nH]2 f002afp1 c1cncc2c1c(=O)[nH]c(=O)[nH]2 f002afp2 CCc1[nH]c2cnccc2c(=O)n1 f002afp3 c1cncc(c1CO)N f002afp4 CCOC(=O)c1ccncc1N f002afp5 Cc1ccc2c(n1)cccn2 cdp146fp1 Cc1ccc(c(n1)Br)N cdp146fp2 Cc1ccc(cn1)I cdp146fp3 c1cc2nccn2c(c1)F.Cl cdp192fp1 c1c(cncc1I)C(=O)O cdp240fp1 c1c(c(cnc1O)CO)O ct010vp1fp1 CCCCCCC/C=C\[C@@H](C#CC#C[C@H](C=C)O)O a208 C1CN1P(=O)(N2CC2)N3CC3 a209 C(#N)c1c(nc(nc1Cl)Cl)Cl a210 CCCC(C)CCC(=O)O a211 c1cc(ccc1CC[N+]23CCC(CC2)CC3)[N+](=O)[O-].[Br-] a212 CCOC(=O)c1ccc(cc1[N+](=O)[O-])N a213 C=Cc1ccsc1 a214 c1cc2nc(c1)CNCCNCCNC2 a215 c1nc(nc(n1)Cl)Cl a216 c1ccc(cc1)C(c2ccccc2)C3CCCCN3.Cl a217 CC(C)(C)N1CCOC(C1)c2cccc(c2)Cl a218 CC(C)(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F a219 CC(C)(C)N1CCOC(C1)c2cc(ccc2F)F a220 CC(C)(C)N1CCOC(C1)COc2ccccc2 a221 CC(C)(C)N1CCOC(C1)c2cc3ccccc3o2 a222 CC(C)(Cc1ccccc1)N2CCOC(C2)c3cccc(c3)Cl a223 c1ccc2c(c1)C3CC2C=C3 a224 CCOC(=O)C(C)(C)S a225 c1ccc2c(c1)nc3cc(c(cc3n2)O)N a226 c1cc(ccc1C#N)S a230 C1CC2C(CCCC2=O)C(=O)C1 a232 C1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl a233 c1c(cnc(c1[N+](=O)[O-])O)C(=O)O un140 c1cc(ccc1[N+](=O)[O-])OC(=O)C(=O)Cl bc245vp1 Cc1cc(cc(n1)C)C#N cia036vp1 Cc1cc(cc(n1)C)C(=O)O cia036de1 CCOP(=O)(CC(=O)O)O un135 CCOP(=O)(CC(=O)[O-])[O-].[Na+].[Na+] un135vp c1cncc(c1F)Cl un136 c1cc(ncc1F)I un137 c1cc(nnc1)CO a065vp CCCc1cc(=O)oc2c1ccc(c2)O ps001 CCCc1cc(=O)oc2c1ccc(c2O)O ps002 c1c(cc2c(c1O)c(cc(=O)o2)O)O ps003 c1ccc(cc1)c2cc3c(cc(cc3oc2=O)O)O ps004 c1ccc(cc1)c2c(c3ccc(cc3oc2=O)O)O ps005 c1ccc(cc1)c2c(c3c(cc(cc3oc2=O)O)O)O ps006 COc1ccc(cc1)c2c(c3c(cc(cc3oc2=O)O)O)O ps007 COc1ccc(cc1)c2c(c3c(cc(cc3OC)OC)oc2=O)O ps008 Cc1ccc2c(cc(=O)oc2c1)C ps009 COc1ccc2c(c1)ccc(=O)o2 ps010 COc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC)OC ps011 c1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O ps012 COc1cc2c(c(c1)OC)c(=O)c(co2)c3ccccc3 ps013 COc1ccc(cc1OC)c2coc3cc(cc(c3c2=O)O)O ps014 COc1cc(cc(c1OC)OC)c2c(c(=O)c3c(cc(cc3o2)O)O)OC ps015 c1cc(c(cc1C(=O)O)Br)N ps016 c1cc(c(cc1O)O)/C=C/C(=O)O ps017 c1cc(c(cc1O)/C=C/C(=O)O)O ps018 C(CCCCCCO)CCCCCCO f098 C[Si](C)(C)Oc1ccc(cc1)C(=O)O[Si](C)(C)C f091 c1cc(ccc1C(=O)[O-])/N=N\c2ccc(c(c2)C(=O)[O-])O.[Na+].[Na+] f090 c1cc(ccc1C(=O)NCCC(=O)O)O f093 CCN(CC)C(=O)c1ccc(cc1)OCC f080 CCOc1ccc2c(c1)cccc2N f030 CC(C)c1cc(nc(n1)N)O s035 CC(C)c1cc(nc(n1)N)Cl s036 c1cc(ncc1[N+](=O)[O-])C#N cdp165vp1 COc1ccc(nc1)C(=O)O cdp317 CC(=O)Nc1[nH]c(c(c(=O)n1)Br)c2ccccc2 dn001 CC(=O)Nc1[nH]c(cc(=O)n1)c2ccccc2 dn002 CC(=O)OCc1c[nH]c(=O)[nH]c1=O dn003 C=CCSc1c[nH]c(=O)[nH]c1=O dn004 Cc1cc(nc(n1)N)Nc2ccccc2 dn005 CCOc1cc(nc(n1)N)Cl dn006 c1c(nc(nc1Cl)N)NC(=N)N dn007 CCN(CC)c1cc(nc(n1)N)F dn008 CN(C)c1cc(nc(n1)N)F dn009 c1ccc(cc1)c2c(c(=O)nc([nH]2)N)I dn010 c1ccc(cc1)Oc2cc(=O)nc([nH]2)N dn011 c1c(nc(nc1F)N)OCC(F)(F)F dn012 c1ccc(cc1)CNc2[nH]c(cc(=O)n2)F dn013 Cc1c([nH]c(=O)[nH]c1=O)NCc2ccccc2 dn014 Cc1c(c(=O)n(c(=O)[nH]1)C)Br dn015 c1(c([nH]c(=O)[nH]c1=O)C(=O)O)Br dn016 c1c([nH]c(nc1=O)SCC(=O)O)C(F)(F)F dn017 Cc1cnc(nc1NCc2ccccc2)Cl dn018 Cc1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl dn019 c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl dn020 c1c(c(=O)[nH]c(n1)Cl)F dn021 CCN(CC)c1cc(nc(n1)N(CC)CC)F dn022 CCN(CC)c1c[nH]c(=O)[nH]c1=O dn023 CCn1cc(c(=O)n(c1=O)CC)C dn024 c1(c([nH]c(=O)[nH]c1=O)C(=O)O)[N+](=O)[O-] dn025 CN(C)c1ccnc(n1)N(C)C dn026 CN(C)c1cc(nc(n1)N(C)C)F dn027 Cc1c(=O)n(c(=O)n(c1F)C)C dn028 Cc1c(n(c(=O)n(c1=O)C)C)N2CCOCC2 dn029 Cn1c(cc(=O)n(c1=O)C)C(=O)O dn030 Cc1cn(c(=O)n(c1=O)C)C dn031 CCNc1c[nH]c(=O)[nH]c1=O dn032 CCc1c(=O)[nH]c(=O)[nH]c1Cl dn033 Cc1c(=O)[nH]c(=O)[nH]c1F dn034 c1c(=O)[nH]c(=O)[nH]c1F dn035 C1/C(=N/N)/NC(=O)NC1=O dn036 c1cc(ccc1Cc2c[nH]c(=O)[nH]c2=O)O dn037 Cc1cc(=O)n(c(=O)[nH]1)CCO dn038 c1cn(c(=O)[nH]c1=O)CCO dn039 c1cn(c(=O)n(c1=O)CCO)CCO dn040 c1(c([nH]c(=O)[nH]c1=O)C(=O)O)I dn041 CNc1[nH]c(cc(=O)n1)F dn042 Cc1c([nH]c(=O)[nH]c1=O)N dn043 Cn1ccc(nc1=O)N dn044 Cn1c(=N)cc[nH]c1=O.Cl dn045 Cc1c([nH]c(=O)[nH]c1=O)N(C)C dn046 CN1CC(C(=NC1=O)N)F dn047 Cc1c(=O)[nH]c(=O)n(c1F)C dn048 CSc1c(=O)[nH]c(=O)[nH]n1 dn049 Cc1c([nH]c(=O)[nH]c1=O)N2CCOCC2 dn050 C1COCCN1c2c(=O)[nH]c(=O)[nH]n2 dn051 c1c(nc(nc1F)N2CCCCC2)N3CCCCC3 dn052 CCCn1ccc(nc1=O)N dn053 CCCn1cc(c(=O)[nH]c1=O)C dn054 Cc1c(c(=O)n(c(=O)n1C)C)Br dn055 C[Si](C)(C)Oc1ccnc(n1)O[Si](C)(C)C dn056 c1ccc(cc1)C(=O)NC2=NC(=O)C3C(=N2)NC=N3 dn057 c1ccc(cc1)Cn2cnc(c-3ncnc23)N dn058 c1ccc(cc1)Cn2cnc3c2ncnc3N dn059 c1ccc(cc1)Cn2cnc3c2c(ncn3)Cl dn060 c1ccc(cc1)Cn2cnc3c2ncnc3Cl dn061 c1ccc(cc1)Cn2cnc(=O)c3c2[nH]cn3 dn062 c1ccc(cc1)Cn2cnc3c2nc[nH]c3=S dn063 c12c([nH]c(nc1=O)O)[nH]c(n2)Br dn064 CCCCSc1c-2ncnc2nc[nH]1 dn065 CCCCn1cnc2c1c(=O)[nH]c(=O)[nH]2 dn066 Cn1cnc2c1c(nc(n2)Cl)N dn067 CCN(CC)c1c2c(ncn2C)nc(n1)Cl dn068 Cn1cnc2c1c(nc(n2)Cl)NCCO dn069 c1[nH]c(c-2ncnc2n1)C#N dn070 Cn1cnc2c1c(=O)n(c(n2)Cl)C dn071 CCOc1c-2ncnc2nc[nH]1 dn072 CCc1[nH]c2c(n1)[nH]c(nc2=O)N dn073 CCCCCCCSc1c-2ncnc2nc[nH]1 dn074 C(c1[nH]c2c(n1)c(=O)[nH]c(n2)N)O dn075 c1[nH]c(c-2ncnc2n1)I dn076 Cc1[nH]c2c(n1)c(=O)[nH]c(n2)N dn077 Cn1c2c(c(=O)nc1N)[nH]cn2 dn078 Cn1c2c(c(=O)[nH]c1=O)[nH]c(=O)[nH]2 dn079 Cn1c(=O)c2c([nH]c(=O)[nH]2)[nH]c1=O dn080 Cc1[nH]c2c(n1)[nH]c(=O)[nH]c2=O dn081 Cn1c(=O)c2c([nH]cn2)[nH]c1=O dn082 CCCSc1c-2ncnc2nc[nH]1 dn083 CC(=O)Nc1cc(c(c(c1)N)[N+](=O)[O-])C(=O)O dn084 CC(=O)Nc1cc(c(c(c1)Br)[N+](=O)[O-])C(=O)O dn085 Cc1cc(c(cc1CNC(=O)C)CNC(=O)C)C dn086 Cc1c(cc(c(c1NC(=O)C)[N+](=O)[O-])C(=O)O)NC(=O)C dn087 CC(=O)Nc1cc(c(c(c1)NC(=O)C)[N+](=O)[O-])C(=O)O dn088 CC(=O)N1CCC(=O)c2c1ccc(c2)[N+](=O)[O-] dn089 COc1ccc(cc1N)CN.Cl.Cl dn090 COc1ccc(cc1CN)N.Cl.Cl dn091 Cc1ccc(cc1N)CN.Cl.Cl dn092 Cc1cc(ccc1CN)N.Cl.Cl dn093 Cc1ccc(cc1CN)N.Cl.Cl dn094 c1c(c(c(c(c1Br)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O dn095 COc1cc(c(c(c1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])Br dn096 c1c(cc(c(c1C(=O)O)[N+](=O)[O-])Br)N dn097 Cc1c(cc(c(c1N)[N+](=O)[O-])C(=O)O)Br dn098 c1c(cc(cc1N)Cl)CN.Cl.Cl dn099 c1cc(c(cc1CN)N)Cl.Cl.Cl dn100 c1cc(c(c(c1)Cl)[N+](=O)[O-])CC(=O)O dn101 Cc1cc(c(cc1CN)CN)C dn102 c1c(c(c(c(c1Br)[N+](=O)[O-])C(=O)O)[N+](=O)[O-])Br dn103 c1c(cc(c(c1C(=O)O)[N+](=O)[O-])Br)Br dn104 c1c(c(c(c(c1[N+](=O)[O-])Br)[N+](=O)[O-])Br)[N+](=O)[O-] dn105 c1c(c(c(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] dn106 CCN(CC)C1=C(C(=O)C(=C(C1=O)Cl)N(CC)CC)Cl dn107 c1cc(c(c(c1)[N+](=O)[O-])[N+](=O)[O-])N dn108 c1cc(c(c(c1N)[N+](=O)[O-])N)[N+](=O)[O-] dn109 c1c(cc(cc1[N+](=O)[O-])O)C(=O)O dn110 COc1cc(cc(c1)[N+](=O)[O-])C(=O)O dn111 c1cc(c(cc1C(=O)O)N)[N+](=O)[O-] dn112 Cc1ccc(c(c1N)[N+](=O)[O-])C(=O)O dn113 Cc1cc(c(cc1N)C(=O)O)[N+](=O)[O-] dn114 c1c(cc(c(c1C(=O)O)[N+](=O)[O-])N)N dn115 Cc1c(cc(c(c1N)[N+](=O)[O-])C(=O)O)N dn116 CSc1nccnn1 ct442 c1cn(ccc1=O)CC(=O)O ct443 COC(=O)c1ccc(s1)C=O ct444 CC(C)(C)c1ccc(c(c1)[N+](=O)[O-])C(=O)O ct445 CCOC(=O)c1ccc(cc1[N+](=O)[O-])O ct446 CNCCOC(c1ccccc1)c2ccccc2 ct448 COc1ccc(cc1)C(=S)SC ct449 Cc1c(c(ncn1)N)I ct450 C=CCc1c(=O)[nH]c(nc1O)N ct451 c1c(cnc(c1Br)[N+](=O)[O-])Br ct452 Cc1cccc2c1cn[nH]2 ct453 c1cc2ccc(cc2nc1)[N+](=O)[O-] ct454 c1ccc2c(c1)c(=O)c3cc(c4c(c3c2=O)[nH]c5c(cc6c(c5[nH]4)c(=O)c7ccccc7c6=O)Cl)Cl un141 C1C(CC2C1C3CC(C2C3)CO)CO un142 B(c1cccc(n1)Cl)(O)O pb029 B(c1cccc(n1)F)(O)O pb031 B(c1ccc(cn1)Br)(O)O pb034 COc1cc(ccn1)C#N cia028vp1 Cc1cc(ccn1)C#N cia032vp1 c1cc(c[n+](c1)[O-])Cl cdp027vp2 CNC(=O)c1cc(ccn1)Cl cdp104vp1de1 CN(C)C(=O)c1cc(ccn1)Cl cdp104vp1de3 CCN(CC)C(=O)c1cc(ccn1)Cl cdp104vp1de4 CC(C)NC(=O)c1cc(ccn1)Cl cdp104vp1de5 CC(C)N(C(C)C)C(=O)c1cc(ccn1)Cl cdp104vp1de6 c1c(c(c(c(n1)N)Cl)Cl)Cl cdp104fp8 c1cnc(c(c1Cl)Cl)N cdp104fp9 Cc1cc(c(nc1)F)Br un143 c1c(cnc(c1Br)Br)C(=O)O un145 CC(=O)Oc1ccc(cc1)C2=Cc3ccc(cc3OC2)OC(=O)C a160vp4 CC(=O)Oc1ccc(cc1)C2COc3cc(ccc3C2=O)OC(=O)C a160vp3np COC(=O)c1cc(ccn1)Cl un125vp1 c1cc2ccc1CCc3ccc(c(c3)Br)CC2 bs001 Cc1cc(c(c(c1)OC)C=O)OC bs002 Cc1ccc(c(c1O)C=O)C(C)C bs003 CC1(C=Cc2c(ccc(c2O)C=O)O1)C bs004 COc1cccc2c1C=C(CO2)C=O bs005 c1cc2c(c(c1)C(=O)O)NC(=O)C2O a191vp1 Cc1c(cccn1)F un146 c1ccc(cc1)C(c2ccccc2)(c3ccccc3O)n4ccnc4 un147 c1ccc(cc1)C(c2ccccc2)(c3ccccc3O)O un147vp1 Cc1c(cc(cc1[N+](=O)[O-])Br)[N+](=O)[O-] un033de3vp1 B(c1cccnc1C)(O)O pb035 c1ccc2c(c1)c(cc(n2)Cl)F qn001 c1ccc2c(c1)c(cc(n2)Br)C=O qn002 c1ccc2c(c1)c(cc(n2)Cl)C=O qn003 c1ccc2c(c1)c(cc(n2)Cl)O qn004 c1ccc2c(c1)c(cc(n2)C#N)C(=O)O qn005 c1ccc2c(c1)c(cc(n2)N)O qn006 c1ccc2c(c1)c(cc(n2)C(=O)O)Br qn007 c1ccc2c(c1)c(cc(n2)N)C(=O)O qn008 c1ccc2c(c1)c(cc(n2)C(=O)O)N qn009 c1ccc2c(c1)c(cc(n2)N)N qn010 c1ccc2c(c1)c(cc(=O)[nH]2)N qn011 c1ccc2c(c1)c(cc(n2)Br)C#N qn012 Cc1cc(c2ccccc2n1)S qn013 c1ccc2c(c1)c(cc(n2)O)Cl qn014 c1ccc2c(c1)c(cc(n2)Br)C(=O)O qn015 c1ccc2c(c1)c(cc(n2)Cl)N qn016 c1ccc2c(c1)c(cc(n2)Br)Cl qn018 Cc1cc(nc2c1cccc2)Br qn019 c1ccc2c(c1)c(cc(n2)O)C#N qn020 Cc1cc(c2ccccc2n1)Br qn021 Cc1cc(nc2c1cccc2)C(=O)O qn022 Cc1cc(nc2c1cccc2)C=O qn023 c1ccc2c(c1)c(cc(n2)Br)N qn024 c1ccc2c(c1)c(cc(n2)N)Br qn025 Cc1cc(nc2c1cccc2)[N+](=O)[O-] qn026 Cc1cc(c2ccccc2n1)C#N qn027 Cc1cc(c2ccccc2n1)[N+](=O)[O-] qn028 c1ccc2c(c1)c(cc(n2)C=O)Br qn029 c1ccc2c(c1)c(cc(n2)C=O)Cl qn030 Cc1cc(nc2c1cccc2)N qn031 c1ccc2c(c1)c(cc(n2)N)Cl qn032 c1ccc2c(c1)c(cc(n2)Br)Br qn033 c1ccc2c(c1)c(cc(n2)Br)[N+](=O)[O-] qn034 c1ccc2c(c1)ccc(n2)[N+](=O)[O-] qn035 c1ccc2c(c1)c(cc(n2)C(=O)O)Cl qn036 c1ccc2c(c1)c(=O)cc([nH]2)C(=O)O qn037 Cc1cc(nc2c1cccc2)C#N qn038 c1ccc2c(c1)c(cc(n2)C#N)C#N qn039 Cc1cc(c2ccccc2n1)C=O qn040 c1ccc2c(c1)c(ccn2)S(=O)(=O)O qn041 Cc1cc(=O)c2ccccc2[nH]1 qn042 c1ccc2c(c1)c(cc(n2)C(=O)O)C(=O)O qn043 c1ccc2c(c1)c(cc(n2)C#N)Cl qn044 Cc1cc(=S)[nH]c2c1cccc2 qn045 c1ccc2c(c1)c(cc(n2)Cl)C#N qn046 c1ccc2c(c1)c(ccn2)[N+](=O)[O-] qn047 c1ccc2c(c1)c(ccn2)C#N qn048 c1ccc2c(c1)c(cc(=O)[nH]2)Br qn049 c1ccc2c(c1)c(cc(n2)Cl)Cl qn050 Cc1cc(c2ccccc2n1)C(=O)O qn051 c1ccc2c(c1)ccc(n2)F qn052 c1ccc2c(c1)c(ccn2)F qn053 B(c1ccc2ccccc2n1)(O)O qn054 c1ccc2c(c1)cc(cn2)F qn055 c1ccc2c(c1)cc(cn2)Cl qn056 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 c1ccc2c(c1)cc(c(=O)[nH]2)Cl qn058 Cc1cc2ccccc2nc1C qn059 c1ccc2c(c1)cc(c(=O)[nH]2)C(=O)O qn060 Cc1cc2ccccc2[nH]c1=O qn061 Cc1c(cc2ccccc2n1)Cl qn062 c1ccc2c(c1)cc(c(n2)C#N)O qn063 c1ccc2c(c1)cc(c(n2)C(=O)O)O qn064 c1ccc2c(c1)cc(c(n2)Br)N qn065 Cc1cc2ccccc2nc1C#N qn066 Cc1c(cc2ccccc2n1)N qn067 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 c1ccc2c(c1)cc(c(n2)N)C(=O)O qn069 c1ccc2c(c1)cc(c(n2)N)C#N qn070 Cc1cc2ccccc2nc1Br qn071 c1ccc2c(c1)cc(c(=O)[nH]2)C#N qn072 c1ccc2c(c1)cc(c(n2)C#N)Br qn073 c1ccc2c(c1)cc(c(n2)Cl)C(=O)O qn074 Cc1cc2ccccc2nc1N qn075 Cc1c(cc2ccccc2n1)[N+](=O)[O-] qn076 c1ccc2c(c1)cc(c(n2)Cl)[N+](=O)[O-] qn077 Cc1cc2ccccc2nc1C(=O)O qn078 c1ccc2c(c1)cc(c(n2)Cl)C#N qn079 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 c1ccc2c(c1)cc(c(n2)C#N)[N+](=O)[O-] qn081 Cc1cc2ccccc2nc1C=O qn082 c1ccc2c(c1)c(c(cn2)O)C(=O)O qn083 Cc1cnc2ccccc2c1C(=O)O qn084 Cc1cnc2ccccc2c1C qn085 c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O qn086 Cc1cnc2ccccc2c1N qn087 c1ccc2c(c1)c(c(cn2)C(=O)O)O qn088 Cc1c2ccccc2ncc1N qn089 c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])O qn090 Cc1c2ccccc2ncc1Cl qn091 Cc1c2ccccc2ncc1Br qn092 c1ccc2c(c1)c(c(cn2)C(=O)O)N qn093 c1ccc2c(c1)c(c(cn2)N)C(=O)O qn094 Cc1c2ccccc2ncc1[N+](=O)[O-] qn095 c1ccc2c(c1)c(c(cn2)N)N qn096 B(c1ccc(c(c1)N)OC)(O)O a238 CC(C)(OCCN1C(=O)C=CC1=O)OCCN2C(=O)C=CC2=O a239 c1ccn2cccc2c1 a240 CCOc1cc(ccc1Br)[N+](=O)[O-] a241 CCOC(=O)C1(CCC1)C#N a243 CC(C)(c1cc(cc(c1)C(C)(C)OC)C(C)(C)OC)OC a244 c1ccc(cc1)CI a245 CCCC[Sn](CCCC)(CCCC)c1nc2ccccc2o1 a247 c1cc(c(cc1C#N)[N+](=O)[O-])Br a248 c1cncnc1C=O a249 Cc1[nH]c2c(n1)[nH]cnc2=O a250 c1ccc(cc1)CSC(=S)c2ccccc2 a251 c1cc(ncc1C(=O)ON2C(=O)CCC2=O)NN.Cl a252 c1ccnc(c1)c2cccc(c2)O a253 c1c(c(c(cn1)Cl)[N+](=O)[O-])Cl a254 c1c(c(c(c[n+]1[O-])Cl)[N+](=O)[O-])Cl a255 COCOc1ccc(cc1)Br dq127vp1 c1c[nH]nc1Br ct455 Cc1cc(c2nncn2n1)O ct456 C1CS(=O)CCC1=O ct457 COc1ccc(nc1Br)C(=O)O ct458 Cc1c(ccc(n1)C(=O)O)[N+](=O)[O-] ct459 Cc1c(cccn1)I cdp062fp1 CCOc1ccnc(c1)C(=O)OCC cdp085fp1 c1cc(ncc1Br)C(Br)Br cdp145fp2 Cc1ccc(cn1)CC=C cdp145fp3 CCOC(=O)c1cccc(n1)N cdp203fp1 CCOC(=O)c1cc(cnc1)C cdp225fp1 c1c(cnc(c1Cl)Br)[N+](=O)[O-] cdp238vp1fp1 c1c(cnc(c1Cl)Cl)N cdp238vp2fp1 c1c(cncc1Br)CO cdp240vp1fp1 c1c(c(c(cn1)Br)C(=O)O)C(=O)O cdp240vp1fp2 Cc1cnccc1C(=O)OC cdp263fp1 Cc1cc(ccn1)I cdp316fp1 Cc1c(c(ccn1)N)Cl cdp316fp2 CCOc1c(cccn1)Cl cin105vpfp2 CCOC(=O)c1cnc(c(c1O)Cl)O ct010vp1fp3 CCOC(=O)c1c(cccn1)N ct255fp1 COC(=O)c1c(cccn1)N ct255fp3 COc1cc(cnc1)OC un121fp2 CCOc1cc(cnc1)OCC un121fp3 c1c(c(c(nn1)Cl)Cl)Cl ct267vp1 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)O un150 CC(=O)Oc1ccc(cc1)S(=O)(=O)[O-].[K+] un150vp2 c1ccc2c(c1)ccc(n2)NS(=O)(=O)c3ccc(cc3)O un150de1 c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)O un150de2 c1cc(ccc1O)S(=O)(=O)Nc2cnccn2 un150de3 COc1cc2c(cc1OC)nccn2 un152 Cc1cc2c(cc1C)nccn2 un153 c1cc2c(cc1C(F)(F)F)nccn2 un154 c1c(sc(n1)Br)S(=O)(=O)O a079vp1fp1 COC(=O)c1cc(cnc1)Cl ct036fp1 COC(=O)c1ccncc1O f002fp1 CCOC(=O)c1ccncc1O f002fp2 c1cncc(c1C(=O)N)Br ct051fp1 c1c(c(n[nH]1)N)[N+](=O)[O-] nh001 c1ccc(cc1)c2nc(c(nn2)N)NN nh002 CCOC(=O)c1c(c(c(s1)C(=O)OCC)O)O nh003 c1cc(ccc1N2CCCC2=O)[N+](=O)[O-] nh004 c1ccc(cc1)/N=N/c2c([nH]nc2N)N nh005 c1ccc(cc1)N=C2C=CC(=Nc3ccccc3)C=C2 nh006 CCOC(=O)C1CC/C(=C\c2ccccc2)/C1=O nh007 c1c[nH]c(=O)oc1=O nh008 c1cnnc(n1)c2nccnn2 nh009 c1ccc(cc1)c2[nH]nc(c(=S)n2)N nh010 c1ccc(cc1)c2nnc(s2)c3ccccc3 nh011 Cc1c(nnc(n1)c2ccccc2)C nh012 c1ccc(cc1)c2c(nnc(n2)c3nc(c(nn3)c4ccccc4)c5ccccc5)c6ccccc6 nh013 COc1nc(cnn1)c2cnnc(n2)OC nh014 CN(C)c1ccc(cc1)C(=C2C=CC=C2)c3ccc(cc3)N(C)C nh015 Cc1c([nH]nc1C)C nh016 c1cc(ccc1N)N2CCCC2=O nh017 CC(=O)Nc1cc[nH]n1 nh018 c1ccc(cc1)c2nc(c(nn2)O)O nh019 Cn1c(c(cn1)C#N)N nh020 Cn1c(=S)cc[nH]c1=S nh021 COc1ccc(cc1)C(=C2C=CC=C2)c3ccc(cc3)OC nh031 C=C1C(=C(C(=C1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5 nh022 c1ccc(cc1)c2c([nH]nc2c3ccccc3)c4ccccc4 nh023 CN(C)c1cnc(nc1O)O nh024 C1CC(=C(C1)C(=O)O)CC(=O)O nh025 c1ccc(cc1)c2c(nnc(n2)c3ccccc3)c4ccccc4 nh026 CC(=O)Nc1c(c[nH]n1)[N+](=O)[O-] nh027 c1ccc(cc1)c2cnc(nn2)c3ccccc3 nh028 Cc1nnc(c[n+]1[O-])c2ccccc2 nh029 CCOC(=O)c1[nH]c(nn1)c2ccccc2 nh030 c1(c(nc(nc1O)O)O)C(=O)N a210vp1 c1cc(c(nc1)N)c2cccnc2N cdp036fp1 c1c(cnc(c1[N+](=O)[O-])N)S(=O)(=O)O cdp156fp1 CC1=CN=CN=C(C1)OC cdp227fp1 C[Sn](C)(C)c1ccc(cn1)[N+](=O)[O-] s006fp1 CC(c1cc2ccccc2o1)O s033fp1 CC(c1cc2ccccc2o1)N s033fp3 c1ccc2c(c1)cc(o2)C(=O)C=O s033fp5 c1ccc2c(c1)cc(o2)C(=O)C(=O)O s033fp6 c1cnc(c(c1N)Br)O un001fp1 c1cnc(c(c1N)Cl)O un001fp2 CN1CCN(CC1)C(=N)N.OS(=O)(=O)O bd001 C1CN(CCN1)C(=N)N.OS(=O)(=O)O bd002 CCCCCCCCCc1nc(nc(n1)N)N bd003 Cc1nc(nc(n1)OC)OC bd004 COc1nc(nc(n1)OC)c2ccccc2 bd005 Cc1nc(nc(n1)N)C bd006 Cc1nc(nc(n1)N(C)C)N bd007 CCOc1nc(nc(n1)N)C bd008 CCc1nc(nc(n1)OC)N bd009 Cc1nc(nc(n1)N)c2ccccc2 bd010 c1c(nc(nc1O)NC#N)O bd012 C1CSC(=N1)NC#N bd013 CCNc1nc(nc(n1)OC)C bd014 c1[nH]c(nn1)Cl bd016 Cc1[nH]c(nn1)Cl bd017 COc1[nH]c(=O)cc(n1)O bd018 Cc1cc(nc(n1)SC)C bd019 c1ccc(cc1)C2CNC(=S)O2 wm001 c1ccc(cc1)C2CNC(=O)O2 wm002 CCOC(=O)c1ccc(nc1C)c2ccoc2 wm003 Cc1ccc(nc1C)c2ccoc2 wm004 Cc1c(ccc(n1)c2ccoc2)CO wm005 CCOC(=O)c1ccc(nc1O)C wm006 c1ccc(cc1)c2ccc(c(n2)O)C#N wm008 c1cc(oc1)c2ccc(c(n2)O)C#N wm007 c1cc(sc1)c2ccc(c(n2)O)C#N wm009 c1cc(c(c(c1C=O)F)F)O wm011 B(c1cnccc1Cl)(O)O a004vp2 c1cc(oc1C(=O)O)C(=O)O lf001 CC12CCC3C(C1CCC2O)CCC4C3(CC=CC4)C lf002 c1ccc2c(c1)ncc(n2)[C@H]([C@@H]([C@@H](CO)O)O)O lf003 CC(=O)N(c1ccccc1)/N=C/c2cc(n(n2)c3ccccc3)COC(=O)C lf004 CC(=O)N(c1ccccc1)/N=C/C2C=C(N(N2)c3ccccc3)C(COC(=O)C)OC(=O)C lf005 c1c(cnc(c1N)Cl)Br un163 Cc1cc(c(nc1)F)[N+](=O)[O-] un164 c1cnccc1CCCCl.Cl tv004vp1 CCOC(=O)c1cc(ccn1)O un165 Cc1cc(c(nc1)C)Br pb010vp1 c1cc(cnc1)CCCCl.Cl tv003vp1 c1cc(c2ccoc2c1)O a073fp2 c1cnc(cc1I)N un167 CCc1cc(ccc1N)C(=O)O a108 B(c1cc(c(nc1)Br)C)(O)O pb036 B(c1cc(c(nc1)Cl)C)(O)O pb037 c1ccc2c(c1)ncc(n2)Cl ct256vp Cn1c(c(c(=O)n(c1=O)C)[N+](=O)[O-])[O-].[Na+] pw001 CCC(=O)/C(=N/O)/C pw002 C(#N)/C(=N/O)/C(=O)N pw003 CSc1nc(c2c(n1)nc(cn2)C(=O)CCc3ccccc3)N pw004 C(=O)Nc1c([nH]c(=O)[nH]c1=O)N pw005 CCOC(=O)Nc1ccccc1C(=O)O pw006 c1ccc(cc1)N/N=C(/C#N)\C(=O)N pw007 Cc1ccc(cc1)c2cnc3c(n2)c(nc(n3)NCCO)N.Cl pw008 CCCC/C(=N/O)/C(=O)C pw009 Cn1c(cc(=O)n(c1=O)C)NN pw010 CC(C)Oc1c(c(nc(n1)N)NC)N=O pw011 c1ccc(cc1)c2ccc(cc2)C(=O)C=O pw012 Cc1c(=O)n(c2ccccc2n1)C pw013 c1ccc(cc1)c2nnnn2c3ccccc3 pw014 c1(c([nH]c(=S)[nH]c1=O)N)N=O pw015 c1(c(nc([nH]c1=O)N)N)[N+](=O)[O-] pw016 CCCC(=O)c1cnc2c(nc(nc2n1)N)N pw017 c1ccc(cc1)NP(=O)(Oc2ccccc2)Oc3ccccc3 pw018 Cc1ccc(cc1)S(=O)(=O)N(C)c2ccc(c(c2)C)C pw019 c1(c([nH]c(=O)[nH]c1=O)N)[N+](=O)[O-] pw020 Cn1c(cc(=O)[nH]c1=S)N pw021 Cn1c(c(c(=O)n(c1=O)C)N=O)N pw022 CNC1=NC(=O)CC(=O)N1 pw023 Cn1c2c(c(=O)[nH]c1=O)nc(c(n2)c3ccccc3)c4ccccc4 pw024 CCOC(=O)Nc1ccccc1C(=O)OC pw025 c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)c4ccccc4 pw026 c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N pw027 c1cnc2c(n1)c(nc(n2)N)N pw028 c1(c([nH]c(=O)[nH]c1=O)N)N=O pw029 Cc1ccc(cc1)c2cnc3c(n2)c(nc(n3)N)N(C)C.Cl pw030 Cc1ccc(cc1C)NC(=O)/C=N\O pw031 Cc1ccc(cc1)c2cnc3c(n2)c(nc(n3)N)N.Cl pw032 c1cc(ccc1C2=NC3C(=O)NC(N=C3N=C2)N)N pw033 c1cc(ccc1C2=NC3C(=O)NC(N=C3N=C2)N)Cl pw034 c1ccc(cc1)c2cnc3c(n2)c(=O)[nH]c(n3)N pw035 Cc1ccc2c(c1C)C(=O)C(=O)N2 pw036 C(=O)Nc1c(nc(nc1O)N)N pw037 Cc1cc2c(cc1C)NC(=O)C2=O pw038 c1ccc(cc1)c2c(nc3c(n2)c(=O)[nH]c(n3)N)c4ccccc4 pw039 Cn1c(c(c(=O)n(c1=O)C)[N+](=O)[O-])O pw040 Cc1c(nc2c(nc(nc2n1)N)N)c3ccccc3 pw041 c1ccc(cc1)c2cnc3c(n2)c(nc(n3)N)N.Cl pw042 c1ccc(cc1)/C(=C/N)/C#N pw043 CN(C)c1[nH]c(=O)c(c(n1)N)[N+](=O)[O-] pw045 c1ccc2c(c1)CC(=O)NC2=O ct095vp1 Cc1cc(c(c(c1)C)COC(=O)CNC(=O)c2ccccc2)C ct398 COc1cc(cc(c1)OC)NC(=O)c2ccc(o2)c3ccc(cc3)Cl un168 CC(=O)Nc1c2c(nc(c(n2)c3ccccc3)NC(=O)C)nc(n1)NC(=O)C pw046 COc1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N.Cl pw047 CCCOCc1cnc2c(n1)c(nc(n2)N)N pw048 c1cc(ccc1c2cnc3c(n2)c(nc(n3)N)N)Cl pw049 CN(C)c1ncc2c(n1)[nH]c(=O)cn2 pw050 CCOC(CNC(=O)C(=O)NC)OCC pw051 Cc1ccc(cc1)/C(=N\OS(=O)(=O)c2ccc(cc2)C)/C(F)(F)F pw052 c1cnc(c(c1C=O)Cl)Cl cia024de2 c1cnc(cc1F)C#N cdp090vp1fp1 C1CCN2CCCC(C2C1)CCl rt001 Cc1ccccc1C(=O)NCC2CCCN3C2CCCC3 rt002 c1cc(ccc1C(=O)OCC2CCCN3C2CCCC3)Cl.Cl rt004 c1cc(cnc1)C2CCCCN2CCO rt005 CC(CN1CCCCC1c2cccnc2)O rt006 c1cc(cnc1)C2CCCCN2N=O rt007 c1cc2n(c(=O)c1)CC3CC2CNC3 rt008 CC(CN1CC2CC(C1)c3cccc(=O)n3C2)O rt009 c1cc2n(c(=O)c1)CC3CC2CN(C3)CCO rt010 c1cc2n(c(=O)c1)CC3CC2CN(C3)CCCN rt011 Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O rt012 Cc1ccccc1C(=O)OCC2CCCN3C2CCCC3.Cl rt013 CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C rt014 CC1c2cc(c(cc2CCN1)O)OC rt015 CC1c2cc(c(cc2CCN1)OC)OC rt016 CC1c2cc(c(cc2CCN1CCO)OC)OC rt017 CC1c2cc(c(cc2CCN1CCCl)OC)OC rt018 C1CCN2CC(CC(C2C1)C(=O)O)C3CCCCN3N=O rt020 c1ccc(cc1)C(=O)c2ccccc2C(=O)NCC3CCCN4C3CCCC4 rt021 c1ccc2c(c1)C(=O)N(C2=O)CC3CCCN4C3CCCC4 rt022 c1ccc(c(c1)C(=O)NCC2CCCN3C2CCCC3)Cl rt026 COc1ccccc1C(=O)NCC2CCCN3C2CCCC3 rt027 c1cc2cccnc2c(c1)SCC3CCCN4C3CCCC4 rt028 c1cc2n(c(=O)c1)CC3CC2CN(C3)N=O rt029 CN(C)c1ccc(cc1)/C=C\2/C(=S)NC(=S)O2 rt030 c1cc(ccc1CN(CCO)CCO)[N+](=O)[O-] rt031 c1cc(ccc1CN(CCCl)CCCl)[N+](=O)[O-].Cl rt032 c1ccc2c(c1)C(C(S2(=O)=O)Br)Br rt033 CC1c2ccccc2S(=O)(=O)C1C rt034 COc1ccc(cc1OC)C(=O)OC2CC3CCC(C2)N3 rt035 c1ccc2c(c1)CN3CCC(C3=N2)O rt036 CCCCN(C)C(C)C(c1ccccc1)O rt037 CCCCCN(C)C(C)C(c1ccccc1)O rt038 Cc1c(c(c\2c(c1)C(=C(C(=O)/C2=C\Nc3c(=O)n(n(c3C)C)c4ccccc4)O)C(C)C)O)c5c(c\6c(cc5C)C(=C(C(=O)/C6=C\Nc7c(=O)n(n(c7C)C)c8ccccc8)O)C(C)C)O rt039 CCC(=O)Oc1ccc(cc1OC)C2c3ccc4ccccc4c3NC5=C2C(=O)CC(C5)(C)C rt040 CC(C)C(=O)Oc1ccc(cc1OC)C2c3ccc4ccccc4c3NC5=C2C(=O)CC(C5)(C)C rt041 c1c(cc(c2c1COCO2)CCl)C(=O)O rt042 c1c(cc(c2c1COCO2)CCl)Cl rt043 c1cc(oc1)C2CC(=O)CC(=O)C2 jg080 Cc1cc(c(cc1Br)C(=O)O)Br jg081 Cc1cc(c(cc1Br)C(=O)OC)Br jg082 c1c(c(cc(c1Br)O)Br)C(=O)O jg083 c1cc(sc1)C2CC(=O)CC(=O)C2 jg084 B(c1c(cccn1)F)(O)O pb038 c1cnc(cc1C(=O)O)CN cin119fp1 Cc1cnccc1I cdp257fp1 CCCN(CCC)CCc1c[nH]c2c1cccc2.Cl a046 c1cncc(c1Br)C=O cia024de4 c1cnc(c(c1Br)C=O)Br cia024de5 c1c(c(cnc1Br)Br)C=O cia024de6 c1cc(nc(c1C=O)Br)Br cia024de7 c1c(c(c(cn1)Br)C=O)Br cia030 C1CC2CC1CC2CI cic058 c1ccc2c(c1)cc3ccccc3c2CI cic059 CCOc1cc(ccn1)Cl a007de1fp1 CCOc1cc(c(cn1)Cl)Cl a007de1fp2 c1c(c(cnc1O)Cl)Cl a007de1fp3 C(CO)C(=O)N a009de1 c1cc2c(cnc(n2)N)c(c1)Cl a095de1 c1cc2c(cnc(n2)N)c(c1)F a095de2 c1cc2cnc(nc2cc1F)N a095de3 c1cc2cnc(nc2cc1Cl)N a095de4 c1cc2cnc(nc2cc1Br)N a095de5 c1nc(c(s1)C=O)Cl a116fp1 c1c(cncc1S(=O)(=O)O)N cdp156de1 c1cc(ncc1N)S(=O)(=O)O cdp156de2 c1cnc(cc1N)S(=O)(=O)O cdp156de3 c1cc(sc1)N un070de1 CCOc1cccnc1Br ct091de1 CCOc1ccnc(c1)Br ct091de2 CCOc1ccc(nc1)Br ct091de3 CCOc1ccncc1Br ct091de6 CCOc1cnccc1Br ct091de7 Cc1cncnc1Cl ct356de3 Cc1ncc(cn1)Cl ct356de4 c1c(c(ncn1)Cl)[N+](=O)[O-] un113de1 c1ccc(cc1)c2c(cccn2)Cl cdp044de1 c1cc(c(nc1)C=O)Cl un125de1 c1cc(c(nc1)C(=O)N)Cl cdp104vp1de8 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 c1cncc(c1Cl)C(=O)N cdp104vp1de10 c1c(cncc1Cl)C(=O)N cdp104vp1de11 c1cncc(c1C(=O)N)Cl cdp104vp1de12 c1cc2c(c(c1)Cl)nccn2 ct256vpde1 c1c(cncc1Cl)C#N cdp027vp1de2 c1cc(c(nc1)C(=O)O)C#N cin119de1 c1cc(ncc1C#N)C(=O)O cin119de2 c1cc(nc(c1)C(=O)O)C#N cin119de3 C1CC(C1)CN.Cl a076de1 Cc1cnc(nc1)O ct360de2 Cc1cncnc1O ct360de3 Cc1ncc(cn1)O ct360de4 Cc1c(cncn1)O ct360de5 c1cc2c(ccc(n2)O)nc1 ct009de1 B(c1c(cccn1)OC)(O)O un093de2 COc1cccnc1C=O cia028de1 COc1cnccc1C=O cia028de2 COc1ccc(nc1)C=O cia028de4 COc1ccnc(c1)C=O cia028de5 CNCCCC(=O)O tv011de1 CNc1c[nH]c(=O)[nH]c1=O ct115de1 Cc1c(cccn1)S(=O)(=O)O cdp136de1 Cc1ccc(nc1)S(=O)(=O)O cdp136de2 c1cc(c(nc1)C(=O)O)[N+](=O)[O-] cdp041de1 c1ccc2c(c1)ccc(n2)S(=O)(=O)O ct053de1 c1ccc2c(c1)cc(cn2)S(=O)(=O)O ct053de2 c1cc2c(cccn2)c(c1)S(=O)(=O)O ct053de3 CCCC[Sn](CCCC)(CCCC)c1cccc(c1)OC f078de1 CCCC[Sn](CCCC)(CCCC)c1ccccc1OC f078de2 CCOc1nc(cc(n1)O)C a132de1 CC(=O)c1cnc(nc1O)OC a132de2 Cc1c(c(nc(n1)OC)O)Br a132de3 Cc1c(nc(nc1O)OC)C a132de4 CCc1c(nc(nc1O)OC)C a132de5 Cc1c(c(nc(n1)OC)O)SC a132de6 c1cc2c(cc1C(=O)O)NC(=O)C2 a191de2 c1cc(c2c(c1)NC(=O)C2)C(=O)O a191de3 Cn1c(c(c(=O)n(c1=O)C)C(=O)N)O a210vp1de1 CC1(CC(=C(C(=O)C1)C(=O)N)O)C a210vp1de2 Cc1ccc(nc1C#N)C cdp027vp1de6 CCc1cccnc1C#N cdp027vp1de7 CC(=O)c1ccc(nc1)C#N cdp027vp1de8 CC(=O)c1ccnc(c1)C#N cdp027vp1de9 c1cnc(c(c1N)Br)N cdp074de1 c1c(cc(nc1C(=O)O)C(=O)O)C(=O)O cdp082de2 Cc1c(ccnc1C#N)[N+](=O)[O-] cdp090de2 Cc1cc(cc(n1)C(=O)O)[N+](=O)[O-] cdp090de3 Cc1c(ccnc1C(=O)O)[N+](=O)[O-] cdp090de4 CCOc1ccnc(c1)C#N cdp090de5 c1cnc(c(c1Cl)[N+](=O)[O-])Cl cdp104de1 COc1c(c(ccn1)N)N cdp104de2 c1ccc(cc1)n2cccnc2=O cdp104de3 c1ccc2c(c1)ccnc2N cdp104de4 c1ccc2cnc(cc2c1)N cdp104de5 c1cnc(c2c1CCCC2)N cdp104de6 c1c2c(cnc1N)CCCC2 cdp104de7 Cc1cc(nc2c1CCCC2)N cdp104de9 c1ccc(cc1)C(=O)OC2CCC(CC2)O a051vp1 c1ccc(cc1)C(=O)OC2CCC(=O)CC2 a051vp2 c1ccc(cc1)C(=O)OC2CCC3(CC2)SCCS3 a051vp3 C1CC2(CCC13SCCS3)SCCS2 a051np1 c1cncc(c1Cl)F cdp106de3 c1c(c(c(c(n1)F)Br)O)Br cdp106de4 c1c(c(c(c(n1)C(=O)O)Cl)O)Cl cdp108de2 c1c(c(c(c(n1)C(=O)O)Cl)Cl)Cl cdp108de3 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 c1c(c(c(c(n1)C(=O)O)Br)O)Br cdp108de5 c1c(c(c(c(n1)C(=O)O)Br)Cl)Br cdp108de6 c1(c(c(nc(c1Cl)O)C(=O)O)Cl)Cl cdp108de7 c1c(cc(nc1C(=O)O)O)Cl cdp108de8 c1c(cc(nc1C(=O)O)C(=O)O)Cl cdp108de9 c1c(cc(nc1C(=O)O)C(=O)O)I cdp108de10 c1(c(c(nc(c1Cl)Cl)Cl)Cl)C(=O)O cdp108de11 c1cnc(c(c1O)Br)O cdp131de1 Cc1cc(cc(n1)C)Cl cdp136de3 Cc1cc(cc(n1)C)S(=O)(=O)O cdp136de4 c1cc(c(nc1)C(=O)O)S cdp157de1 c1cnc(cc1S)C(=O)O cdp157de2 c1cc(ncc1S)C(=O)O cdp157de3 c1cc(nc(c1)S)C(=O)O cdp157de4 c1cncc(c1S)C(=O)O cdp157de5 c1c(cncc1S)C(=O)O cdp157de6 c1cnc(cc1C(=O)O)S cdp157de7 c1cncc(c1C(=O)O)S cdp157de8 c1cc(ncc1Cl)S cdp157de9 c1cc(ncc1Br)S cdp157de10 c1cc(ncc1I)S cdp157de11 c1c(cnc(c1Cl)S)[N+](=O)[O-] cdp157de12 c1c(cnc(c1Br)S)[N+](=O)[O-] cdp157de13 c1c(cnc(c1I)S)[N+](=O)[O-] cdp157de14 c1cc(ncc1N)S cdp157de15 c1cc(ncc1I)C(=O)O cdp165de1 c1c(cnc(c1Cl)F)F cdp182de1 c1cc(nc(c1F)F)F cdp182de2 c1c(c(cnc1F)F)F cdp182de3 c1c(c(c(c(n1)F)F)Br)F cdp182de4 c1c(c(c(cn1)F)Cl)F cdp182de5 c1cnc(c(c1Cl)F)F cdp182de6 c1c(c(c(cn1)Cl)Cl)F cdp182de7 c1cnc(c(c1Cl)Cl)F cdp182de8 c1c(c(c(c(n1)F)F)F)F cdp182de9 c1c(c(c(cn1)F)F)F cdp182de10 c1cnc(c(c1F)F)F cdp182de11 c1c(c(c(cn1)Cl)F)F cdp182de12 c1cnc(c(c1F)Cl)F cdp182de13 c1cc(ncc1C(F)(F)F)I cdp187de1 c1cc(c(nc1)C(F)(F)F)I cdp187de2 Cc1cc(ccn1)N2CCCCC2 cdp187de3 Cc1ccnc(c1)S cdp200de1 c1cc(c(nc1)N)C(F)(F)F cdp217de1 c1cnc(cc1C(F)(F)F)O cdp217de3 c1cc(c(nc1)O)C(F)(F)F cdp217de4 Cc1cc(c(nc1)C)[N+](=O)[O-] cdp224de1 CCOc1cc(cnc1)N cdp229de1 CCOc1cc(cnc1)O cdp229de2 c1ccc(cc1)Cc2c(c3ccccc3oc2=O)O f016 Cc1c(n2c(c(c(=O)n2c1=O)C)C)C bc232vp3 CN1CCN(CC1)c2cccc(c2)C=O un169 c1cncc2c1c(c[nH]2)C=O un170 c1cc(sc1c2ccon2)S(=O)(=O)Cl un171 COc1ccc(c2c1nccc2)S(=O)(=O)Cl un172 C1CS(=O)(=O)CC1S(=O)(=O)Cl un174 c1cc2c(cc1S(=O)(=O)Cl)oc(=O)[nH]2 un175 c1cc(ccc1C(=O)NCCC(=O)[O-])/N=N/c2ccc(c(c2)C(=O)[O-])O.O.O.[Na+].[Na+] un176 c1c[n+](ccc1C(=O)O)[O-] un178 CN(C)CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O fd013 c1cc(c(c2c1NC3=NC(=O)CN3C2)Cl)Cl fd015 B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O fd027 C(CC(=O)O)C(=O)CN fd038 C(C[C@@](C(F)F)(C(=O)O)N)CN fd049 c1cc(ccc1C[C@@H](C(=O)O)N)N(CCCl)CCCl.Cl fd076 Cn1cncc1[N+](=O)[O-] un179 c1c(nc(c(n1)N)Br)Br s010a c1cc(ccc1C(=O)NCCC(=O)O)N un181 c1ccc(cc1)CN(CCO)CCO tv007vp1 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C=O s053vp1 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CO s053vp2 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)CCl s053vp3 c1cc(ncc1O)C=O un184 c1c(cnc(n1)C=O)O un185 c1ccc(c(c1)C=O)Nc2ccccc2Cl un187 CN1CCOC1c2ccccc2Br un187vp1 c1ccc2c(c1)cc3cccc(c3n2)Cl un187np1 COc1c2ccoc2cc3c1c(=O)cc(o3)/C=C/c4ccccc4 wh001 COc1c2ccoc2c(c3c1c(=O)cc(o3)/C=C/c4ccccc4)OC wh002 C1CCc2c(c3c(s2)NS(=O)NC3=O)C1 wh003 CCOC(=O)c1c(n(c(=O)n(c1=O)C)C)N wh004 c1ccc(cc1)P(=Nc2cnccn2)(c3ccccc3)c4ccccc4 wh005 Cc1cccnc1N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh006 CC1Cc2c(n(c(=O)nc2O1)c3ccccc3)N wh007 CCOC(=O)c1c2c3c(c4ccccc4c2oc1N)OC(C3(C)C)O wh008 CC1(c2c3c(c(oc3c4ccccc4c2OC1O)N)C(=O)OC)C wh009 CC1(c2c3c(c(oc3c4ccccc4c2OC1O)N)C#N)C wh010 CCCCN1C(=O)CC(C1=O)C wh011 C1COC(=O)C1C#N wh012 CCOC(=O)c1c(c-2cc(c(c2oc1N)C#N)C)C wh013 c1ccc2c(c1)c(=O)c3c([nH]2)[nH]nn3 wh014 CCOC(=O)c1c(n(nn1)c2cccc(c2)Cl)N wh015 CCOC(=O)c1c([nH]nn1)Nc2ccc(cc2)Cl wh016 c1cc(cc(c1)Cl)Nc2c(nn[nH]2)C(=O)O wh017 CCOC(=O)c1c(n(nn1)c2ccc(cc2)F)N wh018 CCOC(=O)c1c(n(nn1)c2ccc(cc2)Cl)N wh019 CCOC(=O)c1c(n(nn1)c2ccc(cc2)Br)N wh020 CCOC(=O)c1c(n(nn1)c2ccccc2Cl)N wh021 CCOC(=O)c1c(n(nn1)c2ccccc2)N wh022 CCOC(=O)c1c(n(nn1)c2ccc(cc2)Cl)N=P(c3ccccc3)(c4ccccc4)c5ccccc5 wh023 CCOC(=O)c1c([nH]nn1)Nc2ccccc2 wh024 c1ccc(c(c1)Nc2c(nn[nH]2)C(=O)O)Cl wh025 COc1ccc(cc1)NC(=S)C(=O)N f126 COC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 f022 COc1ccc2c(c1)sc(n2)C(=O)N f127 c1cc(ccc1C(=O)Cl)N=[N+]=[N-] f097 CCn1c(c(c(n1)C(=O)C)O)C un189 c1c(c(cnc1Br)Cl)C=O rp001 c1cc(nc(c1N)C(F)(F)F)I rp002 COc1ccc(nc1[N+](=O)[O-])Br rp003 Cc1c(cc(cn1)Br)[N+](=O)[O-] rp004 c1c(cnc(c1C=O)F)Br rp005 c1c(c(c(c(n1)Cl)Cl)Cl)Br rp006 CCOc1cccc(n1)F rp007 c1cc(nc(c1I)N)N rp008 Cc1ccc(c(n1)Br)C=O rp009 c1c(cnc(c1C(=O)O)F)F rp010 c1cnc(c(c1C(=O)O)F)F rp011 c1c(c(cnc1O)[N+](=O)[O-])Cl rp012 c1cc(nc(c1O)F)Br rp013 c1c(c(cnc1Cl)Cl)O rp014 c1c(c(c(c(n1)Cl)Cl)Cl)C(=O)O rp015 c1c(cnc(c1I)N)F rp016 c1cc(ncc1C=O)I rp017 Cc1c(ccnc1Cl)C=O rp018 c1cc(ncc1F)[N+](=O)[O-] rp019 COc1c(ccc(n1)N)Cl rp020 COc1ccc(c(n1)N)Cl rp021 c1cnc(c(c1C(=O)O)Cl)F rp022 Cc1cncc(c1Cl)c2ccccc2 rp023 c1ccc(cc1)c2cc(c(nc2)N)c3ccccc3 rp024 COc1cc(c(nc1)Cl)N rp025 COc1cc(c(nc1Cl)Cl)N rp026 c1c(cnc(c1Br)N)I rp027 c1c(cnc(c1I)Br)O rp028 c1c(cnc(c1I)Br)N rp029 COc1c(cc(c(n1)OC)[N+](=O)[O-])C(=O)O rp030 c1cc(nc(c1I)F)F rp031 Cc1cc(c(nc1)C=O)C rp032 c1ccc(cc1)c2c(cccn2)C(F)(F)F rp033 c1c(cnc(c1Br)O)I rp034 c1cncc(c1C(F)(F)F)I rp035 Cc1cncc(c1C(=O)O)C rp036 c1ccc(cc1)c2ccc(cn2)F rp038 COc1ccc(c(n1)Cl)C(=O)O rp039 c1cc(nc(c1)C(=O)O)C=O rp040 c1c(cnc(c1Br)N)C#N rp041 Cc1ccc(nc1Br)C#N rp042 Cc1cncc(c1OC)C rp043 Cc1cc(c(nc1)I)C rp044 c1cc(nc(c1O)[N+](=O)[O-])Br rp045 c1c(c(cnc1Cl)Cl)N rp046 c1c(cnc(c1I)O)Br rp047 Cc1cc(cnc1I)Br rp048 c1cc(nc(c1)N)C#N rp049 Cc1c(ccc(n1)N)I rp050 Cc1cc(ncc1I)N rp051 c1cc(nc(c1F)N)N rp052 Cc1ccc(c(n1)Br)Br rp053 Cc1ccc(cn1)OC rp054 CCOc1c(cccn1)C(F)(F)F rp055 c1cc(nc(c1O)Cl)I rp056 Cc1cc(ncc1C)c2ccccc2 rp057 Cc1c(cc(nc1Cl)O)O rp058 c1c(c(c(nc1Br)Br)[N+](=O)[O-])N rp059 Cc1c(ccc(n1)I)O rp063 COc1ccc(nc1)c2ccccc2 rp067 c1c(cncc1I)I rp068 Cc1cc(c(nc1)c2ccccc2)C rp069 CCOc1cccnc1c2ccccc2 rp072 Cc1cc(c(c(n1)I)O)I rp073 c1cnc(c(c1I)O)I rp074 c1c(c(cnc1Br)[N+](=O)[O-])Br rp075 c1c(c(cnc1Cl)[N+](=O)[O-])Cl rp076 COc1cc(ncc1[N+](=O)[O-])OC rp077 COc1cc(ncc1[N+](=O)[O-])O rp078 c1ccc(cc1)c2c(cc(nc2Cl)O)O rp079 c1cc(nc(c1N)I)C(F)(F)F rp082 c1cc(nc(c1N)Cl)I rp083 COc1ccc(cn1)c2ccccc2 rp084 COc1c(c(nc(c1Cl)OC)OC)Cl rp087 c1cc(ncc1O)C#N rp088 Cc1ccnc(c1Br)N rp090 c1c(cnc(c1Br)O)Cl rp091 Cc1c(nccc1[N+](=O)[O-])C rp094 CCOc1cccc(n1)C=O rp097 c1c(c(cnc1Cl)[N+](=O)[O-])N rp100 c1cc(nc(c1O)[N+](=O)[O-])Cl rp102 CCOc1cc(nc(c1)Cl)Cl rp103 CCOc1cc(cc(n1)Cl)N rp104 Cc1c(ccc(n1)N)C(=O)O rp107 c1c(c(c(cn1)[N+](=O)[O-])O)C(=O)O rp108 c1cc(ncc1C#N)F rp109 c1c(cnc(c1O)[N+](=O)[O-])C(=O)O rp111 c1c(c(c(cn1)Cl)O)[N+](=O)[O-] rp113 c1cc(nc(c1Br)C#N)N rp114 Cc1cc(cnc1Cl)C#N rp115 c1cnc(c(c1C#N)I)Cl rp116 c1c(cnc(c1N)N)C#N rp117 COc1c(ccnc1OC)O rp119 COc1cc(cnc1)Cl rp120 CCOc1cc(cnc1)Cl rp121 c1c(cc(nc1F)I)I rp123 Cc1cc(c(nc1)Cl)C(=O)O rp124 Cc1ccc(nc1C)C#N rp125 Cc1ccc(nc1C)C(=O)O rp126 COc1ccc(c(n1)C(=O)O)Cl rp128 c1cc(nc(c1Br)Br)N rp129 CCOc1cc(ccn1)C#N rp130 COc1cc(cnc1)C#N rp131 Cc1cc(nc(c1C#N)Cl)OC rp132 Cc1cc(nc(c1C#N)O)c2ccccc2 rp133 c1ccc(cc1)c2ccc(c(n2)F)C(=O)O rp135 c1cc(nc(c1)O)C#N rp136 COc1cccc(n1)C#N rp137 CCOc1cccnc1N rp140 c1ccc(cc1)c2cc(c(cn2)I)N rp143 COc1cc(nc(c1F)F)F rp144 Cc1ccc(nc1Br)Cl rp146 c1c(cc(nc1F)F)N rp147 Cc1c(ccc(n1)OC)C=O rp149 c1c(c(cnc1F)F)Cl rp150 c1c(c(cnc1F)F)C(=O)O rp151 CCOc1cc(nc(c1)F)F rp152 c1cc(nc(c1O)Cl)Cl rp154 c1cc(nc(c1Br)C(=O)O)C(=O)O rp155 c1c(cncc1C=O)C=O rp158 c1cc(nc(c1O)F)F rp159 c1cc(nc(c1Cl)F)F rp160 c1cc(nc(c1Br)F)F rp161 Cc1cc(cc(n1)C)[N+](=O)[O-] rp162 c1c(cc(nc1C(=O)O)C(=O)O)N rp163 c1c(c(c(c(n1)O)Br)O)Br rp164 Cc1cc(nc(c1)C#N)C#N rp166 c1cc(c(nc1)C(F)(F)F)Cl rp167 c1(c(c(c(nc1Cl)Cl)Cl)Br)Cl rp170 c1c(c(c(c(n1)Cl)Cl)Cl)Cl rp171 CCOc1c(c(nc(c1F)F)F)F rp172 Cc1cc(nc(c1)O)C(F)(F)F rp173 c1c(cnc(c1Br)F)I rp174 c1c(cnc(c1I)Br)[N+](=O)[O-] rp175 Cc1c(cc(c(n1)O)C#N)Br rp176 Cc1cc(c(c(n1)Br)O)Br rp178 Cc1c(c(cc(n1)Br)Br)O rp179 Cc1c(cnc(c1Br)O)Br rp180 c1cncc(c1O)C=O rp183 Cc1ccc(c(n1)C=O)O rp184 CCOc1ccc(c(n1)Br)N rp186 COc1c(ccc(n1)Br)N rp187 c1cc(nc(c1[N+](=O)[O-])Br)O rp188 Cc1c(ccc(n1)C#N)[N+](=O)[O-] rp189 Cc1cncc(c1C)C rp191 c1cc(nc(c1[N+](=O)[O-])N)Br rp193 CCOc1c(cc(cn1)[N+](=O)[O-])[N+](=O)[O-] rp194 c1ccc(cc1)c2ccc(nc2)O rp195 c1ccc(cc1)c2ccc(nc2)I rp196 Cc1cc(cnc1C=O)Br rp198 c1c(c(nc(c1I)N)N)I rp199 Cc1cc(nc(c1Br)C)C rp200 Cc1cc(nc(c1C=O)Cl)C rp201 Cc1c(ccnc1F)I rp204 Cc1cccc(n1)I rp205 c1cc(nc(c1[N+](=O)[O-])F)F rp207 c1c(cc(nc1C(=O)O)C(=O)O)Br rp208 COc1c(c(ccn1)I)C=O rp210 Cc1cc(cc(n1)C(=O)O)Cl rp211 c1c(cnc(c1C(=O)O)O)S(=O)(=O)O rp212 Cc1cncc(c1c2ccccc2)C=O rp214 c1ccc(cc1)c2ccncc2C=O rp215 c1c(c(c(c(n1)F)F)I)Cl rp216 c1c(c(c(c(n1)Cl)Cl)I)Cl rp217 Cc1cc(cnc1O)I rp219 c1c(c(c(cn1)I)O)I rp221 c1c(c(c(cn1)I)Cl)I rp222 COc1c(ccnc1I)O rp223 COc1ccc(nc1)O rp224 c1cc(nc(c1N)I)Cl rp225 c1cc(c(nc1)I)[N+](=O)[O-] rp226 Cc1ccc(c(n1)Br)C#N rp227 Cc1c(c(nc(c1C#N)Cl)N)C#N rp228 c1c(c(nc(c1C#N)Cl)N)C#N rp229 Cc1cnccc1OC rp234 Cc1cc(nc(c1C=O)Cl)Cl rp235 Cc1c(c(nc(c1Br)C)N)[N+](=O)[O-] rp237 Cc1c(c(nc(c1Br)N)C)Br rp238 c1c(c(cnc1Cl)C(=O)O)C(=O)O rp239 COc1ccnc(c1)O rp240 c1ccc(cc1)c2c(c(nc(c2C#N)O)N)C#N rp241 c1ccc(cc1)c2cc(cnc2)C#N rp243 c1c(cc(nc1C(=O)O)C(=O)O)O rp245 COc1ccc(c(n1)O)[N+](=O)[O-] rp246 Cc1c(c(cc(n1)c2ccccc2)C(F)(F)F)C#N rp247 c1c(cnc(c1[N+](=O)[O-])N)C(F)(F)F rp250 c1c(cnc(c1N)N)C(F)(F)F rp251 Cc1cc(c(nc1)N)N rp253 c1c(c(nc(c1[N+](=O)[O-])N)N)[N+](=O)[O-] rp254 Cc1cncc(c1C)[N+](=O)[O-] rp256 c1ccc(cc1)c2cnc(cc2O)O rp257 Cc1c(cncc1Cl)Cl rp258 CCOc1cncc(c1C=O)OCC rp260 Cc1ccc(nc1C)N rp261 Cc1cc(c(nc1)[N+](=O)[O-])Br rp262 c1c(c(nc(c1F)Cl)Cl)N rp263 c1c(c(nc(c1Br)Cl)Cl)F rp264 COc1ccncc1O rp265 COc1ccc(nc1Br)[N+](=O)[O-] rp267 Cc1c(c(nc(c1F)Cl)Cl)C(=O)O rp268 COc1c(cc(cn1)Cl)C(=O)O rp269 c1c(c(nc(c1Br)N)N)[N+](=O)[O-] rp270 COc1c(cc(cn1)C=O)Cl rp271 Cc1c(ccc(n1)c2ccccc2)C#N rp272 Cc1ccnc(c1C(=O)O)c2ccccc2 rp273 COc1c(ccc(n1)O)C#N rp274 c1c(c(c(nc1I)Br)O)I rp275 c1cc(nc(c1O)Br)I rp276 c1cc(nc(c1O)I)I rp277 c1cnc(c(c1Br)O)Br rp278 c1cnc(c(c1O)Cl)O rp279 COc1cncc(c1N)[N+](=O)[O-] rp280 COc1ccnc(c1N)N rp281 Cc1c(ccnc1Br)Br rp282 Cc1c(ccnc1Cl)Br rp283 c1cnc(c(c1Br)C=O)Cl rp284 Cc1c(ccnc1F)Br rp285 COc1cc(ccn1)c2ccccc2 rp287 Cc1cc(cc(n1)O)c2ccccc2 rp288 Cc1c(c(c(c(n1)O)c2ccccc2)O)C#N rp289 Cc1c(c(c(c(n1)Cl)c2ccccc2)Cl)C#N rp290 Cc1c(c(c(c(n1)OC)c2ccccc2)OC)C#N rp291 Cc1c(c(c(c(n1)Br)c2ccccc2)Br)C#N rp292 CCOc1c(c(cc(n1)c2ccccc2)c3ccccc3)C#N rp293 COc1c(c(cc(n1)c2ccccc2)c3ccccc3)C#N rp294 CCOc1c(cc(cn1)Cl)C(=O)O rp295 c1ccc(cc1)c2c(cc(c(n2)O)C#N)C#N rp296 Cc1c(cc(c(n1)O)C(=O)O)Cl rp297 Cc1c(c(ccn1)Cl)Cl rp298 Cc1c(ccc(n1)Br)O rp300 Cc1cc(c(nc1)F)C rp303 c1c(cc(nc1Br)Br)Br rp304 c1(c(c(nc(c1Cl)Cl)F)Cl)Cl rp305 C(#N)c1c(c(c(c(n1)Cl)Cl)Cl)Cl rp306 Cc1cc(cc(n1)C)c2ccccc2 rp307 c1ccc(cc1)c2cc(nc(c2)C(=O)O)C(=O)O rp308 Cc1cc(c(c(n1)O)C#N)c2ccccc2 rp309 CC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)OC(=O)C a160vp2 COc1ccc(nc1I)[N+](=O)[O-] rp311 COc1ccnc(c1N)Br rp313 COc1cc(nc(c1)OC)OC rp315 c1ccc(cc1)c2cc(c(nc2)N)Br rp316 c1c(c(c(cn1)[N+](=O)[O-])Cl)[N+](=O)[O-] rp317 c1c(c(nc(c1Cl)Br)N)Cl rp318 c1c(c(nc(c1Cl)Br)O)Cl rp319 Cc1c(ccc(n1)O)C#N rp320 c1c(cnc(c1[N+](=O)[O-])N)[N+](=O)[O-] rp322 Cc1cncc(c1[N+](=O)[O-])C rp323 Cc1c(c(nc(c1c2ccccc2)C)O)C rp324 Cc1cc(nc(c1)c2ccccc2)C rp325 Cc1c(c(nc(c1C)C)C)C rp326 COc1cc(ccn1)F rp327 CCOc1cccnc1C rp328 CCOc1ccc(nc1C)[N+](=O)[O-] rp329 CCOc1ccc(nc1C)N rp330 c1c(cnc(c1I)N)I rp331 B(c1cnccc1Br)(O)O a005vp2 c1cnc(c(c1[N+](=O)[O-])N)Cl cdp276np1 CC(=O)c1ccoc1 f001 CC(C)(C)OC(=O)N1CCCC(C1)c2[nH]nnn2 jo001 CC(C)(C)OC(=O)N1CCCC(C1)N2CCCC2 jo002 CC(C)(C)OC(=O)N1CCCC(C1)c2ncccn2 jo003 CC(C)(C)OC(=O)N1CCCC(C1)C2CO2 jo004 CC(C)(C)OC(=O)N1CCCC(C1)c2ccccn2 jo005 CC(C)(C)OC(=O)N1CCCC(C1)c2nccs2 jo006 CC(C)(C)OC(=O)N1CCC(CC1)c2cnccn2 jo007 CC(C)(C)OC(=O)N1CCC(CC1)C2CO2 jo008 CC(C)(C)OC(=O)N1CCC(CC1)c2cscn2 jo009 CC(C)(C)OC(=O)N1CCC(CC1)c2ccsc2 jo010 CC(C)(C)OC(=O)N1CCC(CC1)c2cccnc2 jo011 CC(C)(C)OC(=O)N1CCC(CC1)c2ccncc2 jo012 CC(C)(C)OC(=O)N1CCC(CC1)c2ncccn2 jo013 CC(C)(C)OC(=O)N1CCC(CC1)C2CCNCC2 jo014 CC(C)(C)OC(=O)N1CCC(CC1)c2[nH]ccn2 jo015 CC(C)(C)OC(=O)N1CCC(CC1)n2ccnc2 jo016 CC(C)(C)OC(=O)N1CCC(CC1)N2CCCCC2 jo017 CCCN(CCC)C(=O)C(=O)c1c[nH]c2c1cccc2 a046vp1 c1cncc(c1F)O un190 c1cc(ccc1Nc2c(nn[nH]2)C(=O)O)Cl wh026 CCOC(=O)c1c([nH]nn1)Nc2cccc(c2)Cl wh027 c1cc(ccc1Nc2c(nn[nH]2)C(=O)O)Br wh028 CCOc1cc(=O)n(c(=O)n1C)C wh029 CCSc1cc(=O)n(c(=O)n1C)C wh030 CCSC(=O)c1c(n(c(=O)n(c1=O)C)C)N wh031 CCCCCCCCSC(=O)c1c(n(c(=O)n(c1=O)C)C)N wh032 CCOC(=O)c1c(c(sc1N)N)C(=O)OCC wh033 c1ccc(cc1)c2nc3c(c4c(s3)CCCC4)c(=O)o2 wh034 Cc1c(=O)n2c(nn1)NCCC2 wh035 Cn1c(=O)[nH][nH]c1=O wh036 CNc1nc(nc(n1)Cl)Cl wh037 CC(C)Nc1ncnc(n1)NC wh038 CC(C)Nc1nc(nc(n1)O)NC wh040 CC(C)Nc1nc(nc(n1)Cl)Cl wh041 CNc1nc(nc(n1)S)NC wh042 CNc1nc(nc(n1)Cl)N wh043 CCNc1nc(nc(n1)Cl)Cl wh044 CNc1nc(nc(n1)O)NC wh045 CC(C)Nc1nc(nc(n1)Cl)NC(C)C wh046 c1(nc(nc(n1)S)N)N wh047 CSc1nc(nc(n1)N)N wh048 CC(C)Nc1nc(nc(n1)S)NC(C)C wh049 CCNc1nc(nc(n1)OC)N wh050 CCSc1nc(nc(n1)NC(C)C)N wh051 CNc1nc(nc(n1)SC)N wh052 CCNc1nc(nc(n1)O)NC(C)(C)C wh053 CC(C)Nc1nc(nc(n1)O)NC(C)C wh054 CNc1ncnc(n1)N wh055 CC(C)(C)Nc1nc(nc(n1)Cl)N wh056 CC(C)Nc1nc(nc(n1)O)N wh057 CNc1nc(nc(n1)O)N wh058 CC(C)Nc1nc(nc(n1)Cl)NC wh059 CCNc1nc(nc(n1)Cl)NC(C)(C)C wh060 CCNc1nc(nc(n1)O)N wh061 CC(C)Nc1nc(nc(n1)SC)NC(C)C wh062 CC(C)Nc1nc(nc(n1)Cl)N wh063 CNc1nc(nc(n1)OC)N wh064 CC(C)(C)Nc1nc(nc(n1)O)N wh065 c1cc(ccc1NC(=O)Nc2c3c(ncn2)n(cn3)C(=O)Nc4ccc(cc4)Cl)Cl wh066 c1cc(cc(c1)Cl)NC(=O)Nc2c3c(ncn2)n(cn3)C(=O)Nc4cccc(c4)Cl wh068 CCCNC(=O)Nc1c2c(ncn1)n(cn2)C(=O)NCCC wh067 CC(C)NC(=O)Nc1c2c(ncn1)n(cn2)C(=O)NC(C)C wh069 c1nc(c2c(n1)n(cn2)C(=O)NC3CCCCC3)N wh070 CC(C)NC(=O)n1cnc2c1ncnc2N wh071 CCCCNC(=O)n1cnc2c1ncnc2N wh072 CCNC(=O)n1cnc2c1ncnc2N wh073 CC(C)(C)CNC(=O)n1cnc2c1ncnc2N wh074 CC(C)(C)NC(=O)n1cnc2c1ncnc2N wh075 Cc1ccc(cc1)S(=O)(=O)NC(=O)n2cnc3c2ncnc3N wh076 Cc1ccc(cc1)S(=O)(=O)NCCNS(=O)(=O)c2ccc(cc2)C wh077 c1c(cc(cc1Cl)Cl)n2c(=O)[nH][nH]c2=O wh078 CCOC(=O)C1=C(CCCC1)N wh079 CC(=O)Nc1cccc(c1[N+](=O)[O-])C(=O)O wh080 CC(C)(C)C(=O)C=O wh081 CC(C)(C)c1c(nc(nn1)S)O wh082 CC(C)(C)c1c(nc(nn1)O)O wh083 CC(C)(C)c1c(nc(nn1)SCC(=O)O)O wh084 c1ccc(cc1)n2c(c(nn2)C#N)N wh085 COc1cccc(c1OCC=C)OC a125vp1 CCc1ccc(s1)CC a020fp1 CCc1ccc(n1C(C)C)CC a020fp2 CCCCn1c(ccc1CC)CC a020fp3 CCCn1c(ccc1CC)CC a020fp4 CCc1ccc(n1CCn2c(ccc2CC)CC)CC a020fp5 C1CC2(CCC1=O)SCCS2 a051fp1 c1cc(ccc1C#N)SCCCCl a230fp1 COC(=O)c1ccc2c(c1)[nH]c(=S)o2 c047fp1 COC(=O)c1ccc2c(c1)n(c(=S)o2)CO c047fp2 CC(=O)n1c2cc(ccc2oc1=S)C(=O)OC c047fp3 CC(=O)c1c(cccn1)Cl cdp027vp1fp1 c1cc(c(nc1)CN)Cl cdp027vp1fp2 c1cc(c(nc1)C#N)S cdp027vp1fp3 CSc1cc(=O)c2c(s1)cccn2 cdp027vp1fp4 c1cc(c2nnnn2c1)Cl cdp027vp2fp1 c1cn2c(cc1Cl)nnn2 cdp027vp2fp2 Cc1nc2ccncc2s1 cdp027vp2fp3 c1ccc(cc1)c2nc3ccncc3s2 cdp027vp2fp4 CN(C)c1cccnc1C#N cdp027vp2fp5 C1C(=O)N=C2C(=CC=CN2C1=O)Cl cdp036fp2 COc1c(c(ccn1)N)Br cdp092fp6 c1c(c(cnc1Cl)Br)N cdp092fp7 c1cnc(c(c1N)Br)Cl cdp092fp8 CCOC(=O)c1c[nH]c2ccnc(c2c1=O)Cl cdp092fp9 c1cnc(cc1N2CCSCC2)N cdp104fp10 c1cnc(cc1N2CCOCC2)N cdp104fp11 c1cnc(cc1N2CCCC2)N cdp104fp12 CCOC(=O)c1c(nc2n1ccc(c2)OC)C cdp104fp2fp1 Cc1cc(ccn1)c2ccnc(c2)C cdp107fp2 Cc1cc(ccn1)[Sn](C)(C)C cdp107fp3 c1cnc(cc1Br)CO cdp107fp4 c1cnc(c(c1Cl)C#N)Cl cdp112fp6 CN(C)c1ccnc(c1)Cl cdp112fp7 c1cnc(cc1Br)C=O cdp113fp1 c1cc2c(ccc(n2)C=O)nc1 cdp146fp4 c1cc2nc(cn2c(c1)F)C=O cdp192fp2 c1cc2nc(cn2c(c1)F)C(Cl)Cl cdp192fp3 c1cc2nc(cn2c(c1)F)CCl cdp192fp4 c1cc2nc(cn2c(c1)F)CO cdp192fp5 Cc1cc(cnc1)CCl.Cl cdp225fp2 Cc1cc(cnc1)CO cdp225fp3 c1c(cncc1N)C(=O)N cdp240fp2 COC(=O)c1cc(cnc1)N cdp240fp3 c1c(c(c(cn1)Br)I)C(=O)O cdp240vp1fp3 Cc1cncc(c1N)N cdp257fp2 Cc1cncc(c1N)[N+](=O)[O-] cdp257fp3 Cc1cnccc1C(=O)C cdp263fp2 COC(=O)c1ccncc1CBr cdp263fp3 CCOC(=O)c1ccncc1CBr cdp263fp4 CCOC(=O)c1ccncc1CCl cdp263fp5 Cc1cc(c(cn1)I)N cdp316fp3 Cc1c(c(ccn1)N)I cdp316fp4 Cc1c(c(c(cn1)Br)N)Br cdp316fp5 Cc1c(c(ccn1)N)Br cdp316fp6 Cc1cc(c(cn1)[N+](=O)[O-])N cdp316fp7 Cc1c(c(ccn1)N)[N+](=O)[O-] cdp316fp8 Cc1cc(ccn1)OC cdp316vpfp1 c1cnc(cc1[N+](=O)[O-])CO cdp316vpfp2 CCC(=O)c1ccnc(c1)OC cia028vp1fp1 Cc1c[nH]c2c1cccn2 cin105vpfp4 CSc1c(cccn1)Cl cin105vpfp5 CS(=O)(=O)c1ccccn1 ct006vp1fp3 CS(=O)c1ccccn1 ct006vp1fp4 COS(=O)(=O)c1ccccn1 ct006vp1fp5 c1ccnc(c1)Sc2ccccn2 ct006vp1fp6 CCOC(=O)c1cnc(cc1NC)Cl ct010fp6 CCOC(=O)c1cn(c(=O)cc1Cl)C ct010fp7 CCOC(=O)c1cnc(c(c1Cl)Cl)Cl ct010vp1fp6 Cc1cnc(cc1O)O ct010vp1fp5 c1cncc2c1c(n[nH]2)N ct051fp2 c1cncc(c1CCCO)Br ct051vp1fp4 COC(=O)Cc1ccncc1Br ct051vp1fp5 C[Sn](C)(C)c1ccnc(c1)Br ct069fp1 C[Sn](C)(C)c1cc(ccn1)Br ct069fp2 B(c1ccnc(c1)Br)(O)O ct069fp3 c1cnc(cc1Br)N2CCCCC2 ct069fp4 c1cc(ncc1O)C(=O)N2CCCCC2 ct074fp1 CC(C)(C)OC(=O)c1ccc(cn1)O ct074fp2 c1cc(nc(c1O)[N+](=O)[O-])C(=O)O ct074fp3 c1c(c(c(nc1C(=O)O)I)O)I ct074fp5 c1cc(nc(c1O)I)C(=O)O ct074fp6 c1c(c(cnc1Br)[N+](=O)[O-])N ct088fp2 c1cnc(c(c1N)[N+](=O)[O-])Br ct088fp3 c1cc(nnc1N2CCN3CCC2CC3)Br ct254fp3 CCOC(=O)c1c(ccc(n1)Br)N ct255fp4 COC(=O)c1c(ccc(n1)Br)N ct255fp5 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 c1ccc2c(c1)nc3c(n2)NC4C3CCCC4 ct256fp1 c1ccc2c(c1)Oc3cnncc3O2 ct267vp1fp1 COc1c(cc(nn1)Cl)Cl ct267vp1fp2 COc1cnnc(c1OC)Cl ct267vp1fp3 COc1cnnc(c1Cl)OC ct267vp1fp4 COc1c(cnnc1OC)Cl ct267vp1fp5 c1ccc2c(c1)Nc3c(ccnn3)S2 ct267vp1fp6 c1cc(c2c(c1)nn[nH]2)C(=O)O ct316fp1 c1cc2c(c(c1)[N+](=O)[O-])ncnc2Cl ct316fp2 c1cc(c2c(c1)nc[nH]2)C(=O)O ct316fp3 Cc1[nH]c2c(cccc2n1)C(=O)O ct316fp4 c1ccc(cc1)c2[nH]c3c(cccc3n2)C(=O)O ct316fp5 c1c(c(cnc1Cl)C#N)Cl ct365fp1 COP(=O)(N)OC un191 c1cncc2c1cco2 f002fp3 Cc1cc2ccncc2o1 f002fp4 c1cncc2c1C(CO2)O f002fp5 c1cncc2c1C(=O)CO2.Cl f002fp6 CCOC(=O)c1c(c2ccncc2o1)O f002fp7 c1cc2cccc(c2c(c1)Br)I f033fp1 c1cc2c(cc1Cl)c(c[nH]2)Cl md017fp12 Cn1ccc2c1ccc(c2)Cl md017fp13 CC(=O)n1ccc2c1ccc(c2)Cl md017fp14 CCc1ccc(cn1)N s006fp2 CCOc1c(ncc(n1)Br)N s010afp1 c1cc(ncc1F)N2CCNCC2 s013fp1 B1(OC(C(O1)(C)C)(C)C)c2ccc(cn2)F s013fp2 c1cc2c(cc1[N+](=O)[O-])cc(o2)[N+](=O)[O-] s033fp7 c1cc(c(nc1)CC#N)Br un067fp1 c1c(cnc(c1Br)C=O)Br un121fp4 c1c(cnc(c1Br)I)Br un121fp6 COC(=O)c1cc(c(nc1)N)N un140fp1 COC(=O)c1cc(c(nc1)N)[N+](=O)[O-] un140fp2 COC(=O)c1cc(c(nc1)Cl)[N+](=O)[O-] un140fp3 CCOC(=O)c1c[nH]c2cnccc2c1=O fpzz0004fp1 c1cc2c(nc1)sc(=S)[nH]2 fpzz0004fp2 c1c(c(c(cn1)[N+](=O)[O-])N)[N+](=O)[O-] fpzz0005fp1 B(c1cc(ncc1Cl)Cl)(O)O fpzz0008fp1 C(Br)/C=C/C=C/CBr fpzz0080fp1 C1CC=C(C1)C=O fpzz0080fp2 CC/C(=C\C)/C=O fpzz0080fp3 c1c(c(c(=O)n(n1)CCl)Cl)Cl fpzz0082fp1 c1(c(c(n[nH]c1=O)Br)Cl)Cl fpzz0082fp2 c1c(c(c(=O)n(n1)Br)Cl)Cl fpzz0082fp3 c1c(c(c(=O)[nH]n1)I)I fpzz0082fp4 c1c(c(c(=O)n(n1)Cl)Cl)Cl fpzz0082fp5 c1c(c(c(=O)[nH]n1)O)[N+](=O)[O-] fpzz0082fp6 c1cn[nH]c(=O)c1N fpzz0082fp7 c1c(c(c(=O)[nH]n1)Cl)O fpzz0082fp8 COc1cn[nH]c(=O)c1Cl fpzz0082fp9 c1c(c(c(=O)[nH]n1)C#N)C#N fpzz0082fp10 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 CC1=C(C(=O)C=CC1=O)C fpzz0112fp1 Cc1c(c(ccc1O)I)C fpzz0112fp2 Cc1c(c(ccc1O)Br)C fpzz0112fp3 Cc1c(c(c(cc1Br)Br)O)C fpzz0112fp4 Cc1ccc2c(cc(=O)oc2c1C)O fpzz0112fp5 Cc1ccc(c(c1C)O)[N+](=O)[O-] fpzz0112fp6 c1cocc1CBr fpzz0131fp1 C1CCC(C1)CCl fpzz0239fp1 C1CCC(C1)CBr fpzz0239fp2 COCC1CCCC1 fpzz0239fp3 Cc1ccc(nc1)C(=O)OC fpzz0294fp1 Cc1ccc(nc1N)C fpzz0294fp2 CCCC[Sn](CCCC)(CCCC)c1cc(ccn1)C fpzz0302fp1 c1cc(ncc1CBr)Br fpzz0302fp2 Cc1ccc(nc1)[Sn](C)(C)C fpzz0302fp3 CCOC(=O)c1ccc(cn1)C fpzz0302fp4 Cc1ccc(nc1)I fpzz0302fp5 CCCC[Sn](CCCC)(CCCC)c1cccc(n1)C fpzz0331fp1 Cc1cccc(n1)[Sn](C)(C)C fpzz0331fp2 Cc1cccc(n1)C(F)(F)F fpzz0331fp3 c1cncc(c1CO)F fpzz0408fp1 c1ccc2c(c1)cncc2C#N fpzz0409fp1 c1ccc(cc1)c2cncc3c2cccc3 fpzz0409fp2 c1cc2cncc(c2c(c1)[N+](=O)[O-])Br fpzz0409fp3 c1ccc2c(c1)cncc2C=O fpzz0409fp4 c1ccc2c(c1)cncc2O fpzz0409fp5 c1ccc2c(c1)cncc2I fpzz0409fp6 c1ccc2c(c1)c(cnc2[N+](=O)[O-])Br fpzz0409fp7 CCCC(=O)C(=O)CCC a256 c1cc(c(cc1Br)O)[N+](=O)[O-] a257 c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)O a258 c1[nH]c2c(=O)[nH]c[n+](c2n1)[O-] a259 c1ccc2c(c1)N(c3ccccc3S2)CCCS(=O)(=O)[O-].[Na+] a260 c1c(cc(nc1O)O)O a261 Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C a262 CC(c1cccc(c1)C(=O)O)C(=O)O a263 COc1ccc(c(c1O)OC)Cl a264 COc1cc(cc(c1O)OC)Cl a265 CC1CNC(=O)N1 a266 C(CCCCCCS(=O)(=O)O)CCCCCN a267 C=Cc1ccc(cc1)CSC#N a268 CN(C)CCCn1cc(c2c1cccc2)CC(=O)N a270 c1ccc2c(c1)c3ccccc3c(c2O)O a271 CCCCN[Si](C)(NCCCC)NCCCC a272 COc1ccc2c(c1)NCCC2=O a273 CC1(C2CC(C(O1)(C(C2)O)C)O)C a274 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)C a275 CCC(Cc1cc(ccc1OC)OC)N.Cl a276 CN1CCOc2c1cc(cc2)S(=O)(=O)Cl a277 CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1 a279 COC(=O)c1[nH]c2ccccc2n1 wh087 COc1[nH]c2ccccc2n1 wh088 c1ccc2c(c1)nc3n2c(=O)c4nc5ccccc5n4c3=O wh089 Cc1cc2c(cccn2)nc1 cdp146fp1de1 Cc1ccnc2c1nccc2 cdp146fp1de2 CC1=C(CCO1)C(=O)Nc2ccc(cc2O)Cl wh090 CC1=C(CCO1)C(=O)Nc2ccccc2O wh091 CC1=C(CCO1)C(=O)Nc2cc(ccc2O)[N+](=O)[O-] wh092 c1ccc(cc1)[P+](Cc2cc(cc(c2)O)O)(c3ccccc3)c4ccccc4.[Br-] wh093 COc1cc(cc(c1)OC)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[Br-] wh094 CC(=O)c1ccc(cc1)c2cccs2 wh095 COC(=O)c1cc(cc(c1)OC2CCCCO2)OC3CCCCO3 wh096 CC(c1cc(c(cc1[N+](=O)[O-])OC)OC)OC(=O)[C@H]2CSC(=N2)c3nc4ccc(cc4s3)O bc221 B(c1ccncc1F)(O)O cdp288vp1 Cc1cc(ccc1/N=N/c2ccc(cc2)Nc3cc(ccc3[N+](=O)[O-])S(=O)(=O)[O-])O.[Na+] un192 [Li]OC.B(c1nccs1)(OC)OC a079vp1fp4 B(c1c(ccnc1Cl)Cl)(O)O cdp112fp8 B(c1cccc2c1c(ccc2)Br)(O)O f033fp2 c1c(cc(cc1OC2CCCCO2)OC3CCCCO3)C=O wh098 COC(=O)CN1Cc2c(ccc(c2Cl)Cl)N=C1N jg090 CCOC(=O)CN1Cc2c(ccc(c2Cl)Cl)N=C1N jg091 c1cc(c(c2c1NCN(C2)CC(=O)O)Cl)Cl jg092 c1c2c(c(c(c1Cl)Cl)Cl)CN3CC(=O)N=C3N2 jg093 c1cc(c(c2c1NC(=NC2)N)Cl)Cl jg094 B(c1cnccc1OCC)(O)O pb039 B(c1cc(cnc1)OCC)(O)O pb040 B(c1cc(cnc1F)C)(O)O pb041 B(c1cc(cnc1Cl)C)(O)O pb042 B(c1cnc(cc1C)C)(O)O pb043 B(c1c(ccnc1C)C)(O)O pb044 B(c1c(ccnc1Cl)C)(O)O pb045 B(c1cc(cnc1Cl)Cl)(O)O pb047 B(c1cc(cnc1)c2ccccc2)(O)O pb048 B(c1ccc(nc1Cl)C)(O)O pb049 B(c1cc(cnc1)C(F)(F)F)(O)O pb050 c1c[n+](cc(c1[N+](=O)[O-])N)[O-] cdp276vp1 COP(=O)(OC)SC un193 Cc1cc(cnc1C)Br pb051vp1 B(c1cc(c(nc1)C)C)(O)O pb051 Cc1cc(ncc1Br)C pb043vp1 Cc1ccnc(c1Br)C pb044vp1 B(c1cncc(c1C)C)(O)O pb052 Cc1cncc(c1C)Br pb052vp1 CN(C)/C=C(\C=O)/c1ccc(cc1)Cl cdp180vp2lit1 CN(C)/C=C(\C=O)/c1ccc(c(c1)Cl)Cl cdp180vp2lit2 CN(C)/C=C(\C=O)/c1ccc(cc1)OC cdp180vp2lit3 CN(C)/C=C(\C=O)/c1ccc(c(c1)OC)OC cdp180vp2lit4 CN(C)/C=C(\C=O)/c1ccc2c(c1)OCO2 cdp180vp2lit5 CN(C)/C=C(\C=O)/c1cc(c(c(c1)OC)OC)OC cdp180vp2lit6 CN(C)/C=C(\C=O)/c1ccccc1[N+](=O)[O-] cdp180vp2lit7 Cc1cccc(c1)/C(=C/N(C)C)/C=O cdp180vp2lit8 Cc1ccc(cc1)/C(=C/N(C)C)/C=O cdp180vp2lit9 c1cc2c(cc(cn2)O)nc1 ct009de2 CCOc1ccc2cc(ccc2c1)N un194 CCOc1ccc2cc(ccc2c1)[N+](=O)[O-] un194vp1 CCOc1ccc2ccccc2c1[N+](=O)[O-] un194vp1np1 CCOc1ccc2cccc(c2c1)[N+](=O)[O-] un194vp1np2 c1cc(c(c2c1cc(cc2)[N+](=O)[O-])C=O)O un194lit1 COc1ccc2cc(ccc2c1C=O)[N+](=O)[O-] un194lit2 COC(=O)c1cccc(n1)N cdp203fp2 CCOC(=O)c1cc(cnc1)N cdp240fp4 CCOC(=O)c1ccncc1Br ct051fp3 CCOC(=O)c1ccc(nc1)Br ct055fp1 COC(=O)c1cc(ccn1)Br cdp113fp2 CCOC(=O)c1cc(ccn1)Br cdp113fp3 CCOC(=O)c1ccnc(c1)Br cdp128fp1 COC(=O)c1cnccc1Br cdp282fp1 CCOC(=O)c1cnccc1Br cdp282fp2 CCOC(=O)c1cc(cnc1)Cl ct036fp2 COC(=O)c1c(cccn1)Cl cdp027fp1 CCOC(=O)c1c(cccn1)Cl cdp027fp2 CCOC(=O)c1ccc(cn1)Cl cdp183fp2 COC(=O)c1cnccc1Cl cdp270fp1 CCOC(=O)c1cnccc1Cl cdp270fp2 COC(=O)c1ccncc1Cl cdp302fp1 COC(=O)c1ccnc(c1Cl)Cl cin105fp1 CCOC(=O)c1ccnc(c1Cl)Cl cin105fp2 Cc1cc(cc(n1)C)C(=O)OC cia036de1fp1 CCOC(=O)c1cc(nc(c1)C)C cia036de1fp2 COC(=O)c1ccc(cn1)O ct074fp7 CCOC(=O)c1ccc(cn1)O ct074fp8 CCOC(=O)c1cc(cnc1)O cdp241fp1 CCOC(=O)c1c(cccn1)O fpzz0286fp1 Cc1ccnc(c1)C(=O)OC cdp081fp1 CCOC(=O)c1cc(ccn1)C cdp081fp2 Cc1cc(ccn1)C(=O)OC cdp082fp1 CCOC(=O)c1ccnc(c1)C cdp082fp2 c1ccc2c(c1)c[n+](cc2Br)[O-] ct070vp1 c1cc(nc(c1)O)C=O un195 CCOC(=O)c1ccc(nc1C)C(F)(F)F un196 c1c(cnc(c1C=O)N)Br un197 c1coc2c1cc(cc2Br)Br un058de1 c1coc2c1cc(cc2Cl)Cl un058de2 c1cc2c(cco2)cc1[N+](=O)[O-] un058de3 CCOc1cccc2c1occ2 un058de4 Cc1ccc2c(c1)cco2 un058de5 c1cc2c(cco2)cc1Cl un058de6 c1cc2c(cco2)cc1O un058de7 COc1ccc2ccoc2c1 un058de8 Cc1ccc2ccoc2c1 un058de9 c1cc(cc2c1cco2)O un058de10 Cc1ccc2c(c1)c(cc(n2)N)O qn025lit1 Cc1cccc2c1nc(cc2O)N qn025lit2 Cc1cc(c2c(c1)c(cc(n2)N)O)C qn025lit3 COc1ccc2c(c1)c(cc(n2)N)O qn025lit4 COc1cccc2c1nc(cc2O)N qn025lit5 Cc1ccc(c2c1c(cc(n2)N)O)OC qn025lit6 c1cc2c(cc1O)c(cc(n2)N)O qn025lit7 c1cc2c(cc1Cl)c(cc(n2)N)O qn025lit8 c1ccc(cc1)c2c(c3ccccc3nc2N)O qn025lit9 COc1ccc2c(c1)c(c(c(n2)N)c3ccccc3)O qn025lit10 c1ccc2c(c1)c(c(c(n2)O)[N+](=O)[O-])O qn025lit11 c1ccc2c(c1)c(c(c(n2)Cl)[N+](=O)[O-])Cl qn025lit12 c1ccc2c(c1)c(cc(n2)N)I qn025lit13 CC1CC(=O)CC(N1)C.Cl ct207vp1 CCN1C(CCCC1(C)C)(C)C ct207lit1 c1c(nc(c(n1)N)C#N)C#N un199 CNP(=O)(OC)OC un191lit1 CCNP(=O)(OC)OC un191lit2 CN(C)P(=O)(OC)OC un191lit3 CCN(CC)P(=O)(OC)OC un191lit4 Cc1cc2cc(ccc2nc1NN)OC.Cl cc001 Cc1cc2cc(ccc2nc1NN)F.Cl cc002 Cc1cc2ccc(cc2nc1NN)Cl.Cl cc003 Cc1cc2cc(ccc2nc1NN)Br.Cl cc004 Cc1cc2ccc(cc2nc1NN)Br.Cl cc005 Cc1cc2cc(cc(c2nc1NN)C)Cl.Cl cc006 CCc1cc2ccc(cc2nc1NN)OC.Cl cc007 CCc1cc2cc(ccc2nc1NN)F.Cl cc008 CCc1cc2cc(ccc2nc1NN)Cl.Cl cc009 CCc1cc2cc(ccc2nc1NN)Br.Cl cc010 CCc1cc2ccc(cc2nc1NN)Br.Cl cc011 CCc1cc2c(ccc(c2nc1NN)C)Cl.Cl cc012 B(c1c(ccnc1Cl)c2ccccc2)(O)O pb019 c1cc(ncc1I)C(F)(F)F qe001 c1cc(ncc1C(C(F)(F)F)O)C(F)(F)F qe002 B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)C(F)(F)F qe003 c1ccn2c(c1)ncc2I qe004 c1ccn2c(c1)ncc2C#N qe005 c1ccc2c(c1)c(ccc2F)O qe006 CC(C)(CN)c1ccccn1 qe007 Cc1cc(n(n1)c2ncc(s2)c3c(c(c(c(c3Cl)O)Cl)Cl)O)C.Cl ril-153 c1cnc(cc1F)C(=O)O un200 c1cc(ncc1C(=O)O)I un202 c1cc(c(c(c1)F)Cn2cc(nn2)C(=O)N)F fd122 c1c2c(cc(c1Cl)Br)ncn(c2=O)CC(=O)C[C@H]3[C@@H](CCCN3)O fd123 CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C fd124 CCCC[Sn](CCCC)(CCCC)c1nccn1C a247lit1 c1ccc2c(c1)ncc(n2)I ct256vpfp1 c1cc(c(cc1S(=O)(=O)O)O)O un203 c1c(cnc2c1[nH]cn2)Br cdp156fp1lit1 Cc1c(cc2c(n1)nc[nH]2)Br cdp156fp1lit2 Cc1ccc2c(n1)nc[nH]2 cdp156fp1lit3 Cc1c(cnc2c1[nH]cn2)Br cdp156fp1lit4 Cc1ccnc2c1[nH]cn2 cdp156fp1lit5 Cc1c2c(nc[nH]2)nc(c1Br)C cdp156fp1lit6 Cc1cc(nc2c1[nH]cn2)C cdp156fp1lit7 c1cc(nc2c1[nH]cn2)N cdp156fp1lit8 c1cc(nc2c1[nH]cn2)O cdp156fp1lit9 Cc1c(cc2c(n1)nn[nH]2)Br cdp156fp1lit10 Cc1ccc2c(n1)nn[nH]2 cdp156fp1lit11 Cc1c2c(nc(c1Br)C)nn[nH]2 cdp156fp1lit12 Cc1cc(nc2c1[nH]nn2)C cdp156fp1lit13 Cc1c(cc(c(n1)N)[N+](=O)[O-])Br cdp156fp1lit14 Cc1c(cnc(c1N)N)Br cdp156fp1lit15 Cc1c(c(nc(c1Br)C)N)N cdp156fp1lit16 c1c(cnc(c1N)N)S(=O)(=O)O cdp156fp1lit17 c1cc(nc(c1N)N)N.Cl.Cl cdp156fp1lit18 c1c(c(c(cn1)[N+](=O)[O-])N)N cdp156fp1lit19 Cc1ccc(cc1)S(=O)(=O)N2CC2 wh099 COCOc1cc(cc(c1)OCOC)CBr wh100 Cc1c2cccc(c2nc3c1CCO3)O wh101 Cc1c2c(nc3c1c(ccc3O)Cl)OCC2 wh102 Cn1c(c(c(=O)n(c1=O)C)C=S)N wh103 c1ccc(cc1)c2c(c3cccnc3[nH]c2=O)O wh104 Cc1ccc(cc1)c2c(c3cccnc3[nH]c2=O)O wh105 Cc1cccc(c1)c2c(c3cccnc3[nH]c2=O)O wh106 COc1ccc(nc1)C(=O)OC cdp317vp1 c1c(cnc(c1C(=O)O)N)Cl un204 Cc1cc(c(nc1)F)C=O un205 Cc1cc(c(nc1)F)C(=O)O un206 CC(C)(C)C1=CC(=CC(C(C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(=O)OC)C(=O)OC)C=C(C1=O)C(C)(C)C un207 Cc1cc(cc(n1)C#N)Cl rp211vp1 Cc1cc(cc(n1)C#N)Br rp211de1 Cc1cc(cc(n1)C(=O)O)Br rp211de2 Cc1cc(nc(c1)C#N)C rp211de3 Cc1cc(nc(c1)C(=O)O)C rp211de4 c1cc(nc(c1)C#N)C=O cia019de1 c1cnc(cc1C#N)C=O cia019de2 c1cc2c(c(c1)C(=O)O)NC(=O)C2=O a191vp2 c1cc(c(c(c1)C(=O)O)I)C(=O)O a191lit1 C1CN(CCN1CC#N)CC#N a191lit2 Cc1cc(cc[n+]1[O-])Cl cdp080fp1 c1c(cncc1N)CO cdp240fp3fp1 c1c(cncc1O)CO cdp240fp3fp2 CCc1ccnc(c1)C(=O)O cdp147de1 Cc1cc(c(nc1)C(=O)O)C cdp147de2 CCc1cccc(n1)C(=O)O cdp147de3 CCc1c[nH]c(=O)[nH]1 ct260lit1 Cc1ccc(c(n1)C)S(=O)(=O)O cdp265de4 Cc1cc(ncc1S(=O)(=O)O)C cdp265de5 Cc1cncc(c1C)S(=O)(=O)O cdp265de6 Cc1cc(c(nc1)C)S(=O)(=O)O cdp265de7 Cc1cc(cnc1C)S(=O)(=O)O cdp265de8 Cc1cc(nc(c1S(=O)(=O)O)C)C cdp265de9 CCc1cc(ccn1)N a007lit1 CCc1cc(ccn1)Br a007lit2 CCc1cc(ccn1)C#N a007lit3 COc1cc(ccn1)O a007lit4 COc1cc(ccn1)I a007lit5 COc1cc(ccn1)Cl a007lit6 COc1cc(ccn1)Br a007lit7 Cc1cc(cc(n1)O)N rp058lit1 Cc1cnc(cc1N)O rp058lit2 Cc1c(cc(nc1Cl)O)N rp058lit3 c1c(cc(nc1O)Cl)O rp058lit4 CCOC(=O)c1c(cc(nc1Cl)O)O rp058lit5 Cc1c(cc(nc1Cl)Cl)Cl rp058lit6 Cc1c(c(c(nc1Cl)O)Br)O rp058lit7 Cc1c(c(c(nc1Cl)O)[N+](=O)[O-])O rp058lit8 CCOC(=O)C1C(NC(C(C1=O)C(=O)OCC)C)C ct207vp2 CC1C(C(=O)C(C(N1)C)C(=O)OC)C(=O)OC ct207lit2 CCOC(=O)C1C(N(C(C(C1=O)C(=O)OCC)C)C)C ct207lit3 CC1C(C(=O)C(C(N1C)C)C(=O)OC)C(=O)OC ct207lit4 Cc1cc(cnc1C)O cdp254de1 Cc1cc(ncc1O)C cdp254de2 Cc1cc(c(nc1)C)O cdp254de3 Cc1cncc(c1C)O cdp254de4 c1(c(c(nc(c1I)C(=O)O)C(=O)O)I)O cdp108de2lit1 c1c(c(c(c(n1)C(=O)O)I)O)I cdp108de2lit2 c1c(c(c(c(n1)C(=O)O)I)Cl)I cdp108de2lit3 c1c(c(c(c(n1)C(=O)O)I)Br)I cdp108de2lit4 c1(c(c(nc(c1Br)C(=O)O)C(=O)O)Br)Br cdp108de2lit5 c1c(c(c(cn1)Cl)S(=O)(=O)O)Cl cdp108de2lit6 c1c(c(c(cn1)Br)Cl)Br cdp108de2lit7 c1c(c(c(cn1)Br)S)Br cdp108de2lit8 c1c(c(c(cn1)Br)S(=O)(=O)O)Br cdp108de2lit9 c1c(c(c(cn1)I)S)I cdp108de2lit10 c1c(c(c(cn1)I)S(=O)(=O)O)I cdp108de2lit11 c1c(cnc(c1Br)S)Br cdp108de2lit12 c1c(cnc(c1Br)S(=O)(=O)O)Br cdp108de2lit13 c1cc2c(cccn2)c(c1)F qn055lit1 c1cc2ccc(cc2nc1)F qn055lit2 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 c1cc2c(cc1Cl)cc(c(n2)O)F qn055lit5 c1cc2c(cc1Cl)cc(c(n2)Br)F qn055lit6 c1cc2cc(c(nc2c(c1)Br)O)F qn055lit7 c1cc2cc(c(nc2c(c1)Br)Br)F qn055lit8 c1cc2cc(cnc2c(c1)Br)F qn055lit9 c1ccc2c(c1)cc(c(n2)C(=O)O)F qn055lit10 c1cc2c(cc1Cl)cc(c(n2)C(=O)O)F qn055lit11 c1c(cc(nc1CBr)CBr)[N+](=O)[O-] cia036lit1 c1c(cc(nc1CBr)CBr)C#N cia036lit2 Cc1ccnc(c1)CO cia036lit3 c1cnc(cc1C#N)CO cia036lit4 Cc1cc(cc(n1)C)CO cia036lit5 c1c(cc(nc1CCl)CCl)Br cia036lit6 CCOC(=O)c1cc(cc(n1)C(=O)OCC)Br cia036lit7 c1c(cc(nc1CO)CO)Br cia036lit8 CCOC(=O)c1cc(cc(n1)C(=O)OCC)I cia036lit9 c1c(cc(nc1CO)CO)I cia036lit10 c1c(cc(nc1CBr)CBr)Br cia036lit11 c1c(cc(nc1CBr)CBr)I cia036lit12 c1cc2c(cccn2)c(c1)I ct318de1lit1 Cc1cccc2c1cccn2 ct318de1lit2 c1cc2c(ccc(c2Cl)Cl)nc1 ct318de1lit3 Cc1ccc2c(c1C)cccn2 ct318de1lit4 c1cc2ccc(cc2nc1)I ct318de1lit5 Cc1cc2cccnc2cc1C ct318de1lit5b c1cc(c2cccnc2c1)C#N ct318de1lit6 c1cc2ccc(cc2nc1)N ct318de1lit7 c1cc2ccc(cc2nc1)C#N ct318de1lit8 c1ccc(c(c1)N=[N+]=[N-])SSc2ccccc2N=[N+]=[N-] bc027lit1 c1cc(ccc1N=[N+]=[N-])SSCCC(=O)ON2C(=O)CCC2=O bc027lit2 CC(=N)NCc1cccc(c1)CN.Cl.Cl tj001 CC(=O)Nc1c([nH]c(=O)n(c1=O)C)N tj002 c1cc(ccc1C(=O)n2cnc3c2ncnc3N)Cl wh107 COC(=O)Cc1c([nH]c(=S)[nH]1)C(=O)OC wh108 C/C(=N\c1c(c(=O)n(c(=O)n1C)C)I)/N(C)C wh109 Cn1cc(c(=O)n(c1=O)C)C#Cc2ccccc2 wh110 c1cc2c(c/c/3=C/N=c/4\c(=N/C=c3/c2)\cccc4)cc1 wh111 Cc1cc(cnc1Br)O pb036fp1 Cc1cc(cnc1Cl)O pb037fp1 CN1CCN(CC1)c2cc(cnc2)Br un121fp5de1 c1ccc(cc1)CN2CCN(CC2)c3cc(cnc3)Br un121fp5de2 c1c(cncc1Br)N2CCCC2 un121fp5de3 CC(C)(C)OC(=O)N1CCN(CC1)c2cc(cnc2)Br un121fp5de5 c1cc(ccc1NC2C3CC4CC(C3)CC2C4)Br jg108 C1C2CC3CC1CC(C2)(C3N)O.Cl jg109 C1C2CC3(CC1CC(C2)(C3)O)C(=O)O jg110 CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C jg111 C1C2CC3CC1CC(C2)C3N.Cl jg112 c1cc(nnc1)O jg113 C1CN2CCC1[C@@H](C2)N.Cl.Cl jg114 C1CN2CCC1[C@@H](C2)O jg116 c1ccc(cc1)C(=O)O[C@@H]2CN3CCC2CC3 jg117 C.C[C@@H]([C@@H]([C@H]1CNc2c(c(=O)nc([nH]2)N)N1)O)O jg118 c1ccc(c(c1)C(=O)ON2C(=O)CCC2=O)C(=O)ON3C(=O)CCC3=O bc366lit1 C1CC(=O)N(C1=O)OC(=O)CCCCCC(=O)ON2C(=O)CCC2=O bc366lit2 C1CC(=O)N(C1=O)OC(=O)CCCCCCCCC(=O)ON2C(=O)CCC2=O bc366de1 C1CC(=O)N(C1=O)OC(=O)CC(=O)ON2C(=O)CCC2=O bc366de2 C1CC(=O)N(C1=O)OC(=O)CCCCC(=O)ON2C(=O)CCC2=O bc366de3 C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O bc366de4 C1CC(=O)N(C1=O)OC(=O)CCCCCCCC(=O)ON2C(=O)CCC2=O bc366de5 CN1C(=O)C(C(=O)N(C1=S)C)/C=C/C=C2C(=O)N(C(=S)N(C2=O)C)C un208 c1cc(ncc1C(=O)O)NN a252vp1 CC(C)(C)OC(=O)NNc1ccc(cn1)C(=O)ON2C(=O)CCC2=O a252vp2 CCOc1cc(ccn1)[N+](=O)[O-] un209 CCN(c1nc(nc(n1)Cl)NC(C)C)N=O un210 CCNc1nc(nc(n1)Cl)N(CC)N=O un211 CCOc1c(c(ccn1)N)[N+](=O)[O-] a007de1fp4 CCOc1cc(c(cn1)[N+](=O)[O-])N a007de1fp5 CCOc1cc(c(cn1)Br)N a007de1fp6 CCOc1c(c(ccn1)N)N a007de1fp7 CC1(c2cc(ccc2N=C3C=CC(=O)C=C3O1)O)C bc208vp1fp1 CC(C)(CC=C)c1cccc(c1)O bc208vp1fp2 Cc1c(n2c(=O)c(c(n2c1=O)C)C)C bc232vp2 c1cc(c(nc1)C(=O)N)F cdp006fp1 COC(=O)c1c(cccn1)F cdp006fp2 CCOC(=O)c1c(cccn1)F cdp006fp3 c1c[n+](cc(c1[N+](=O)[O-])Cl)[O-] cdp027vp2fp6 CN(C)c1ccc[n+](c1)[O-] cdp027vp2fp7 Cc1ccc(cc1)/N=N/C(/N=N/c2ccc(cc2)C)C#N bc319vp1 CCOC(=O)c1nn([n+](n1)c2ccccc2)c3ccccc3.[Cl-] bc319lit1 CCCCCCc1nn([n+](n1)c2ccccc2)c3ccccc3.[Cl-] bc319lit2 Cc1ccc(cc1)n2nc(n[n+]2c3ccc(cc3)C)C#N.[Br-] bc319lit3 COc1ccc(cc1)n2nc(n[n+]2c3ccc(cc3)OC)C#N.[Cl-] bc319lit4 c1cc(cc(c1)n2nc(n[n+]2c3cccc(c3)C#N)C#N)C#N.[Cl-] bc319lit5 c1cc(ccc1C#N)n2nc(n[n+]2c3ccc(cc3)C#N)C#N.[Cl-] bc319lit6 c1ccc(cc1)n2nc(n[n+]2c3ccccc3)C#N.[Cl-] bc319de1 c1cc(ccc1n2nc(n[n+]2c3ccc(cc3)Cl)C#N)Cl.[Cl-] bc319de2 c1cc(ccc1n2nc(n[n+]2c3ccc(cc3)[N+](=O)[O-])C#N)[N+](=O)[O-].[Cl-] bc319de3 CC(=O)n1ccc2c1cccn2 cdp062fp2 c1c(c(c(c(n1)N)Br)N)Br cdp074fp1 CCOC(=O)c1cc(ccn1)Cl cdp085fp3 c1c(c(cnc1Cl)I)N cdp092fp10 C[Sn](C)(C)c1ccnc(c1)F cdp099fp1 CCCC[Sn](CCCC)(CCCC)c1ccnc(c1)F cdp099fp2 c1cn2c(cc1Cl)nc(n2)N cdp104fp13 Cc1ccc(cc1)c2cn3ccc(cc3n2)Cl cdp104fp14 Cc1c(n2ccc(cc2n1)OC)C(=O)O cdp104fp2fp1a COc1cc(ncc1[N+](=O)[O-])N cdp104fp2fp2 c1cnc(cc1Cl)CN cdp104vp1a CCOC(=O)c1cc(ccn1)c2ccccc2 cdp122vp1fp1 COC(=O)c1cc(ccn1)c2ccccc2 cdp122vp1fp2 c1cnc(c(c1Br)Cl)Cl cdp129fp1 c1cnc(c(c1Br)Br)Cl cdp129fp2 c1cc(ncc1Br)CBr cdp145fp4 CCOC(=O)c1ccc(cn1)Br cdp145fp5 c1cc[n+]2cc(ccc2c1)Br.[Br-] cdp145fp6 Cc1cc(c(c[n+]1[O-])Br)[N+](=O)[O-] cdp145fp7 Cc1ccc(nc1)C(=O)N cdp147fp1 c1cc(ncc1[N+](=O)[O-])C=O cdp160fp1 COC(=O)c1ccc(cn1)[N+](=O)[O-] cdp165vp1fp1 c1cc(ncc1N)C#N cdp165vp1fp2 COc1ccc(nc1)Cl cdp172fp2 c1c(c(cnc1Br)O)Br cdp175fp2 c1ccc(cc1)c2c[nH]nc2 cdp180vp2fp1 Cn1cc(cnc1=O)c2ccccc2 cdp180vp2fp2 c1ccc(cc1)/C(=C\Br)/C=O cdp180vp2fp3 c1cc(=O)[nH]c2c1c(ccn2)O cdp194fp1 c1cc(nc2c1c(ccn2)Cl)Cl cdp194fp2 c1cc(nc(c1Br)N)O cdp194fp3 c1c(c(nc(c1I)O)N)I cdp194fp4 c1cc(=O)[nH]c2c1sc(n2)N cdp194fp5 c1cc(nc(c1C(=O)O)O)N cdp194fp6 COC(=O)c1cccc(n1)c2ccccc2 cdp205fp1 CCOC(=O)c1cccc(n1)c2ccccc2 cdp205fp2 c1ccc(cc1)c2cccc(n2)C(=O)N cdp205fp3 c1ccc(cc1)c2cccc[n+]2[O-] cdp205vp2 c1ccc(cc1)c2cccc([n+]2[O-])Br cdp205vp2fp1 c1ccc(cc1)c2cccc([n+]2[O-])c3ccccc3 cdp205vp2fp2 c1ccc(cc1)C2=NC3C(C=C2)OC(=O)N3c4ccccc4 cdp205vp2fp3 CCc1cccc(n1)c2ccccc2 cdp205vp2fp4 COC(=O)c1cc(cnc1)F cdp221fp1 c1c(c[n+](cc1F)[O-])C(=O)O cdp221fp2 c1c(cncc1F)C(=O)N cdp221fp3 c1ccc(cc1)NC(=O)c2ccnc(c2)Cl rp018vp1 Cc1c(ccnc1Cl)C(=O)N(C)c2ccccc2 rp018vp2 Cc1c(ccnc1Cl)CO rp018vp3 CCOc1c(cc(cn1)[N+](=O)[O-])Br cdp236vp3fp2 c1c(cnc(c1Br)Cl)O cdp236vp3fp3 c1c(cnc(c1Cl)Cl)O cdp238vp1fp2 c1c(cnc(c1Cl)Br)O cdp238vp1fp3 c1c(cnc(c1Cl)Br)N cdp238vp1fp4 Cc1cc(c(nc1I)I)O cdp244fp1 Cc1cc(c(nc1)[N+](=O)[O-])O cdp244fp2 Cc1cc(c(nc1)N)O cdp244fp3 Cc1cnc(c(c1N)N)Cl cdp257fp4 Cc1cc2cnccc2[nH]1 cdp257fp5 c1ccc(cc1)c2nc3ccncc3nn2 cdp259vp1fp1 c1ccc2c(c1)ccc3c2ccnc3 cdp269fp1 c1cnc(c(c1[N+](=O)[O-])N)Br cdp276np2 c1cnc(c(c1Cl)Cl)CO cdp316fp9 Cc1c(c(ccn1)O)[N+](=O)[O-] cdp316fp10 Cc1c(c(ccn1)Cl)[N+](=O)[O-] cdp316fp11 c1cnc(cc1[N+](=O)[O-])C=O cdp316vpfp3 c1c[n+](c(cc1[N+](=O)[O-])C=O)[O-] cdp316vpfp4 c1ccc(cc1)C(=O)CC2CC2 cic048fp1 CCOCC1CC1 cic048fp2 c1ccc(cc1)C(CC2CC2)(CC3CC3)O cic048fp3 C1CC(C1)(CC2CC2)C(=O)O cic048fp4 c1ccc(cc1)c2nnc3n2cccc3Cl cin105vpfp6 c1ccc2c(c1)Oc3cccnc3O2 cin105vpfp7 c1ccc2c(c1)Sc3cccnc3S2 cin105vpfp8 c1c(c(cnc1Cl)Cl)Cl ct010fp8 Cc1cc(cnc1)S(=O)(=O)N ct044fp1 c1c(cncc1S(=O)(=O)N)C(=O)O ct044fp2 COc1cnccc1C(=O)OC ct051fp4 COC(=O)c1c(c2ccncc2s1)O ct051de1fp1 c1ccc(cc1)c2cc3cnccc3c(=O)o2 ct051vp1fp6 CCOc1ccc(c2c1cncc2)C(=O)OC ct051vp1fp7 CCOc1cc(=O)cc-2cc[nH]cc12 ct051vp1fp8 Cc1c2cnccc2c(cn1)C(=O)OC ct051vp1fp9 Cc1c2ccccc2c(cn1)Br ct070fp1 Cc1c2ccccc2c(cn1)N ct070fp2 c1cc(nc(c1O)Cl)C(=O)O ct074fp8a c1ccc(cc1)c2ccc(c(n2)N)Br ct085fp1 c1cnc(c(c1N)Br)Br ct088fp4 c1c(c(c(c(n1)Br)Br)N)Br ct088fp5 c1ccc2c(c1)C(=O)C(=O)NC2=O ct095vp1fp1 c1ccc2c(c1)C(=O)NC(=O)C2(Br)Br ct095vp1fp2 c1cc2c(ccc(=O)o2)c(c1)Cl ct137fp1 c1cc2c(ccc([o+]2)c3ccc(cc3)O)c(c1)Cl.[Cl-] ct137fp2 Cc1nc2cccnc2c(=O)o1 ct255fp7 COC(=O)c1c(cccn1)I ct255fp8 c1ccc(cc1)n2c(=O)c3c(cccn3)[nH]c2=S ct255fp9 c1ccc(cc1)c2c(c3c(cccn3)[nH]c2=O)O ct255fp10 CCOC(=O)c1cc2c(cccn2)nc1C ct255fp3fp1 CCOC(=O)c1cc2c(cccn2)[nH]c1=O ct255fp3fp2 CCOC(=O)c1cc2c(cccn2)nc1Cl ct255fp3fp3 c1cc2c(cc(c(=O)[nH]2)C#N)nc1 ct255fp3fp4 CCOC(=O)c1cn2c3ccccc3ncc2n1 ct256fp2 c1ccc-2c(c1)NCc3n2c(=O)c(cn3)C(=O)O ct256fp3 c1ccc2c(c1)ncc(n2)F ct256vpfp2 COc1cnc2ccccc2n1 ct256vpfp3 c1cnnc(c1N)Br ct267fp1 c1c(c(c(nn1)Cl)N)Cl ct267vp1fp6a c1c(c(c(nn1)Cl)Cl)N ct267vp1fp8 COc1cc(nnc1OC)OC ct267vp1fp7 c1c(cc(c(c1C(=O)O)N)[N+](=O)[O-])I ct316fp6 c1cc(c(c(c1)[N+](=O)[O-])N)CO ct316fp7 CC1CNCc2cccc(c2N1)N ct316fp8 c1cncc2c1c(=O)nc[nH]2 f002afp6 c1cncc2c1c(=O)nc([nH]2)C(F)(F)F f002afp7 CCOC(=O)c1cc2ccncc2[nH]c1=O f002de1fp1 c1cncc2c1cc(c(n2)N)C#N f002de1fp2 c1cncc2c1cc(c(=O)[nH]2)C#N f002de1fp3 c1cncc2c1c(=O)[nH]o2 f002fp1fp1 c1cc(=O)oc2c1ccnc2 f002fp1fp2 c1cncc(c1CO)O.Cl f002fp1fp3 c1cc2c(cc1N)ncnc2N f008afp1 Cc1ccc2c(n1)ccc(=O)[nH]2 f009fp1 Cc1ccc2c(n1)ccc(n2)Cl f009fp2 c1cc2c(cc(c(=O)[nH]2)Br)nc1 f009fp3 c1cc2c(cc(c(=O)[nH]2)[N+](=O)[O-])nc1 f009fp4 c1cc2cccc3c2c(c1)SS3 f033fp3 c1cc2cccc(c2c(c1)N)Br f033fp4 B(c1cccc2c1c(ccc2)B(O)O)(O)O f033fp5 c1cc2cccc(c2c(c1)C#N)C#N f033fp6 CNC(=O)NC(=O)C(CC1CCCC1)c2ccc(c(c2)Cl)Cl s050 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 c1cc2c3cccc(c3oc2c(c1)Br)Br a005lit1 CCO/C=C\C=O ct360de2lit1 CC/C(=C/OCC)/C=O ct360de2lit2 CCO/C=C(\C=O)/C(C)C ct360de2lit3 C(=C\N)\C=O ct360de2lit4 CC/C(=C/N)/C=O ct360de2lit5 CC(C)/C(=C/N)/C=O ct360de2lit6 CC(C)c1c[nH]c(=O)nc1 ct360de2lit7 CC(C)(C)c1cc(c(=O)[nH]c1)[N+](=O)[O-] un212 CCOC(=O)C1CCCN(N1C(=O)OCC)C(=O)OCC a029vp1 CCOC(=O)C(CCCBr)Br a029vp2 c1cnc(c(c1Cl)N)N dap1 c1c(c(c(nc1Cl)N)N)Cl dap2 Cc1ccc(c(n1)N)N dap3 Cc1cc(nc(c1N)N)Br dap4 c1cc(nc(c1N)N)F dap5 c1c(c(c(nc1F)N)N)F dap6 c1c(c(nc(c1Cl)Cl)N)N dap7 Cc1c(c(c(nc1C)N)N)C dap8 Cc1cc(c(nc1C)N)N dap9 CCOc1ccc(c(n1)N)N dap10 c1ccc(cc1)c2ccc(c(n2)N)N dap11 Cc1c(cc(c(n1)N)N)Cl dap12 c1c(cnc(c1N)N)F dap13 CCOC(=O)c1cc(c(nc1)N)N dap14 c1cc(nc(c1N)N)I dap15 COC(=O)c1ccc(c(n1)N)N dap16 COc1cc(c(nc1)N)N dap18 c1c(c(c(c(n1)N)N)Cl)Cl dap19 Cc1c(cnc(c1N)N)Cl dap20 c1cc(nc(c1N)N)C(F)(F)F dap21 c1cc(nc(c1N)N)[N+](=O)[O-] dap22 CC(C)(C)c1ccc(c(n1)N)N dap23 c1c(c(cnc1F)N)N dap24 COc1cc(c(cn1)N)N dap25 COc1cncc(c1N)N dap26 c1c(c(cnc1C(F)(F)F)N)N dap27 Cc1cc(c(cn1)N)N dap28 CCOC(=O)c1cc(c(cn1)N)N dap30 c1c(c(cnc1Br)N)N dap31 c1cnc(c(c1N)N)Br dap32 Cc1cc(cnc1C)C(=O)O ct077de1 Cc1cnc(c(c1C)C#N)Cl ct077de2 Cc1cncc(c1C)C#N ct077de3 Cc1cncc(c1C)C(=O)O ct077de4 CCOC(=O)c1cnc(cc1C)C ct077lit1 CCOC(=O)c1c(cc(nc1C)C)C ct077lit2 Cc1cc2c(cn1)C(=O)OCC2 ct077lit3 CCCCN(CCCC)CCc1c[nH]c2c1cc(cc2)OC a046lit1 CCCCN(CCCC)CCc1c[nH]c2c1cccc2 a046lit2 CCN(CCc1c[nH]c2c1cc(cc2)OC)C(C)C a046lit4 c1c(cnc(c1N)O)C(F)(F)F rp251np1 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)Cl rp251lit1 Cc1cc2c([nH]c(=O)c(=O)[nH]2)nc1 rp251lit2 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)C(F)(F)F rp251lit3 c1c(cnc2c1[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-] rp251lit4 CCN(CCc1c[nH]c2c1cccc2)C(C)C a046lit5 CCN(C)CCc1c[nH]c2c1cc(cc2)OC a046lit6 c1cc2c(c(c1)O)c(c[nH]2)C(=O)O a073lit1 Cc1cccc2n1c(=N)c(cn2)C(=O)O a075lit1 Cc1cc(n2c(c1)ncc(c2=N)C(=O)O)C a075lit2 c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N un213 Cc1c2c(nc(n1)N)CCSC2 un214 c1ccc(cc1)c2ccc(cc2)C(=O)N(CC3CC3)CC4CCCO4 un215 CC(C)(C)C(C=O)C=O un212vp1 C(C(=O)N)[N+](=O)[O-] un212vp2 CC(C=O)C=O un212vp1de2 CC(C)C(C=O)C=O un212vp1de3 CCCC(C=O)C=O un212vp1de4 CCCCC(C=O)C=O un212vp1de5 CCC(C=O)C=O un212vp1de6 c1cnc([nH]1)C(C=O)C=O un212vp1de7 C1CC1C(C=O)C=O un212vp1de8 C1CCC(C1)C(C=O)C=O un212vp1de9 CCC(C#N)C#N un212vp1de10 CCCCC(C#N)C#N un212vp1de11 CC(C)C(C#N)C#N un212vp1de12 CC(C)CC(C#N)C#N un212vp1de13 CCCC(C#N)C#N un212vp1de14 c1ccc(cc1)C(C#N)C#N un212vp1de15 C1CCC(CC1)C(C#N)C#N un212vp1de16 c1cc(cnc1)C(C#N)C#N un212vp1de17 C1CCC(C1)C(C#N)C#N un212vp1de18 c1ccc2cc(ccc2c1)C(C#N)C#N un212vp1de19 c1ccnc(c1)C(C#N)C#N un212vp1de20 c1ccc2c(c1)cc(cn2)C(C#N)C#N un212vp1de21 C1CC1C(C#N)C#N un212vp1de22 Cc1c(c(=O)n2ccccc2n1)C#N a075lit3 Cc1ccn2c(c1)nc(c(c2=O)C#N)C a075lit4 C1CCC(C(CC1)C(=O)O)C(=O)O a076lit1 C1CC2CCC1CC2CN a076de1a C1CC2(CCC1CC2)CN a076de2 CCc1cnc(s1)C(=O)O a079de1a CC(C)(C)c1csc(n1)C(=O)O a079de2 Cc1c(sc(n1)C(=O)O)C a079de3 CC(C)c1cnc(s1)C(=O)O a079de4 c1c(cnc(c1C#N)N)F a079vp1fp2lit1 Cc1cc(c(nc1)C)C#N a079vp1fp2de1 c1ccc2c(c1)c(cc(n2)N)C#N a079vp1fp2de2 Cc1cc(c(nc1)F)C#N a079vp1fp2de3 c1c(cnc(c1N)F)C#N a079vp1fp2de4 Cc1c(c(no1)N)C#N a079vp1fp2de5 c1cnc2ncc(n2c1)C#N a079vp1fp2de5a Cc1c(c[nH]n1)C#N a079vp1fp2de6 Cc1[nH]c(cn1)C#N a079vp1fp2de7 c1ccc2c(c1)cc(c[n+]2[O-])O a084lit1 c1ccc(cc1)Cc2c-3nc(c(=O)n3c4c([nH]2)-c5ccc(cc5CC4)O)Cc6ccc(cc6)O un216 Cc1c(c(ccn1)N)N dap33 CCOc1cc(c(cn1)N)N dap34 c1c2cc([nH]c2cc(c1O)O)C(=O)O a165lit1 Cc1cc(cs1)N un070de2 Cc1cscc1N un070de3 CC(C)(C)c1cc(cs1)N.Cl un070de4 c1ccc(cc1)c2cc(cs2)N un070de5 c1ccc2c(c1)c(cs2)N un070de6 c1cc(c(cc1/C=C/C(=O)c2ccc(c(c2O)O)O)O)O a162de1 c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O a162de2 COc1cc(c(c(c1)OC)C(=O)/C=C/c2ccccc2)O a162de3 c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O a162de4 COc1cc(ccc1O)/C=C/C(=O)c2ccc(cc2O)O a162de5 COc1cc(ccc1/C=C/C(=O)c2ccc(cc2)O)O a162de6 COc1cc(c(c(c1)OC)C(=O)/C=C/c2ccc(cc2)O)O a162de7 COc1ccc(c(c1)OC)/C=C/C(=O)c2c(cc(cc2OC)OC)O a162de8 COc1cc(c(c(c1)OC)C(=O)/C=C/c2cc(c(cc2OC)OC)OC)O a162de9 c1cc(c(cc1O)O)C(=O)/C=C/c2cc(cc(c2)O)O a162de10 COc1ccc(cc1O)/C=C/C(=O)c2c(cc(cc2O)O)O a162de11 c1ccc(cc1)/C=C/C(=O)c2c(cc(cc2O)O)O a162de12 COc1c2c(nc[nH]2)[n+](cn1)[O-] a259vp1 c1[nH]c2c(n1)[n+](cnc2S)[O-] a259lit1 c1[nH]c2c(n1)[n+](cnc2Cl)[O-] a259lit2 c1[nH]c2c(n1)[n+](cnc2Br)[O-] a259lit3 c1[nH]c2c(n1)[n+](cnc2I)[O-] a259lit4 CC(C(=O)O)NC(=O)C(=C)C s051lit1 CC(=C)C(=O)NC(C)(C)C(=O)O s051lit2 CC(C)(C(=O)O)NC(=O)C=C s051lit3 Cn1c(=O)cc(nc1OC)N wh112 Cn1c(cc(=O)n(c1=O)C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh113 CCOC(=O)c1c(n(c(=O)n(c1=O)C)C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh114 CC(C)OC(=O)c1c(n(c(=O)n(c1=O)C)C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh115 CCSC(=O)c1c(n(c(=O)n(c1=O)C)C)N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh116 Cn1cc(c(=O)n(c1=O)C)C=O wh117 CC(=O)c1c(n(c(=O)n(c1=O)C)C)N wh118 Cn1c(c(c(=O)n(c1=O)C)C(=O)c2ccccc2)N wh119 CCOC(=O)c1c(sc(n1)S)N wh120 c1cc2c(cccc2I)c(c1)S(=O)(=O)N3CCCNCC3 un217 c1cc(ccc1OCC(=O)OCCNC23CC4CC(C2)CC(C4)C3)Cl un218 C1CN(C[C@@H](N1)C(=O)O)C/C=C/P(=O)(O)O un219 Cc1cc(nc(c1O)C)C cdp254de5 CCCc1ccc(cn1)O cdp254de6 CCc1ccc(cn1)O cdp254de7 CCCc1ccncc1O cdp254de8 CCc1cc(c(nc1)C)O cdp254de9 CCCC[Sn](CCCC)(CCCC)c1nc(co1)C a247de1 CCCC[Sn](CCCC)(CCCC)c1ncc(o1)c2ccccc2 a247de2 CCCC[Sn](CCCC)(CCCC)c1nc(c(o1)C)C a247de3 CCCC[Sn](CCCC)(CCCC)c1nc(c(o1)c2ccccc2)c3ccccc3 a247de5 CC(C)(C)OC(=O)NNc1ccc(cn1)C(=O)O a252vp3 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)NN.Cl a252lit1 COc1c2cc(cc1Cc3cc(cc(c3OC)Cc4cc(cc(c4OC)Cc5cc(cc(c5OC)C2)CCl)CCl)CCl)CCl a280 CC(C)[C@@H](C(=O)O)NCC(C(CO)O)O a281 CCN(CC)CCNC(=O)c1c(c([nH]c1C)C(=O)OC(C)(C)C)C kt01 c1ccc2c(c1)/C(=C/c3ccc(c(c3)C#N)F)/OC2=O kt02 CCc1c(ccc(n1)C)O.C(CC(=O)O)C(=O)O a282 C1CCC(C2(CC1)CCCCC2)O a283 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)C)C)C)(F)F a284 C1CC(=O)N(C1=O)OC(=O)c2c(c(c(c(c2F)F)N=[N+]=[N-])F)F a285 CCC1=CC(=O)C=CC1=O a286 Cc1c(c(ccn1)C(=O)O)N cin106de3 Cc1cc(c(cn1)N)C(=O)O cin106de4 c1cnc(c(c1C(=O)O)N)Cl cin106de5 c1ccc2c(c1)-c3c(nc4ccccc4n3)C(=O)C2=O un220 c1ccc2c(c1)ccc-3c2C(=O)C(=O)c4c3cccc4 un221 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)Cl un222 Cn1c(c(c(=O)n(c1=O)C)C(=O)C2CC2)N wh121 Cn1c(c(c(=O)n(c1=O)C)I)N wh122 c1ccc2c(c1)c(=O)cc(o2)N wh123 c1cc(c(cc1C(F)(F)F)Cl)NC(=O)C(=O)O wh124 Cn1c(c(c(=O)n(c1=O)C)C(=O)Nc2ccccc2)N wh125 COC(=O)c1c(nccn1)NC(=O)c2ccc(cc2)Cl wh126 COC(=O)c1c(nccn1)NC(=O)c2ccc(cc2)[N+](=O)[O-] wh127 COc1ccc(cc1)C(=O)Nc2c(nccn2)C(=O)OC wh128 Cc1ccc(cc1)C(=O)Nc2c(nccn2)C(=O)OC wh129 COC(=O)c1c(nccn1)NC(=O)c2ccccc2 wh130 COC(=O)c1c(nccn1)N(C(=O)c2ccccc2)C(=O)c3ccccc3 wh131 Cc1ccc(cc1)C(=O)N(c2c(nccn2)C(=O)OC)C(=O)c3ccc(cc3)C wh132 c1cc(ccc1C(=O)Nc2c(nccn2)C(=O)NN)Cl wh133 CC(=O)Nc1c(nccn1)C(=O)OC wh134 c1ccc(cc1)c2nc3c(c(=O)o2)nccn3 wh135 COc1ccc(cc1)c2nc3c(c(=O)o2)nccn3 wh136 c1cc(ccc1c2nc3c(c(=O)o2)nccn3)[N+](=O)[O-] wh137 Cc1ccc(cc1)c2nc3c(c(=O)o2)nccn3 wh138 c1cc(ccc1c2nc3c(c(=O)o2)nccn3)Cl wh139 Cc1ccccc1c2nc3c(c(=O)o2)nccn3 wh140 c1ccc(cc1)c2[nH]c(=O)c3c(n2)nccn3 wh141 Cc1ccc(cc1)c2[nH]c(=O)c3c(n2)nccn3 wh142 c1cc(ccc1c2nc(=O)c-3ncc[nH]c3n2)Cl wh143 COc1ccc(cc1)c2[nH]c(=O)c3c(n2)nccn3 wh144 c1cc(ccc1c2[nH]c(=O)c3c(n2)nccn3)[N+](=O)[O-] wh145 c1(c(nc([nH]1)Cl)Cl)Cl wh146 COc1ccc(c2c1C(=O)OC2=O)OC un223 CCOC(=O)C1C(N(C(=O)C1=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3 wh147 CCOC(=O)C1C(N(C(=O)C1=O)c2ccc(cc2)C)c3ccccc3 wh148 CCOC(=O)C1C(N(C(=O)C1=O)c2ccc(cc2)Cl)c3ccccc3 wh149 CCOC(=O)C1C(N(C(=O)C1=O)c2ccc(cc2)OC)c3ccccc3 wh150 c1cc(ccc1C(=O)n2c(c(nc2Br)Br)Br)Cl wh151 Cc1nc2c(c3c(s2)CCCC3)c(=O)o1 wh152 c1ccc(cc1)C2=NN(C3C2c4cccc5c4c3ccc5)c6ccccc6 wh153 CCOC(=O)c1c(noc1N)c2ccccc2 wh154 CCOC(=O)c1c(nsc1NC(=O)Nc2ccccc2)C wh155 COC(=O)c1c(ccs1)[N+](=O)[O-] un070lit1 c1csc(c1[N+](=O)[O-])C(=O)O un070lit2 c1cscc1[N+](=O)[O-] un070lit3 c1c(c(cnc1F)[N+](=O)[O-])N dap24vp1 c1cnc(c(c1N)N)F dap35 c1cnc(c(c1N)[N+](=O)[O-])F dap35vp1 CC(C)c1ccc(c(n1)O)C#N cdp082fp2lit1 CCOC(=O)c1ccc(nc1Cl)C(C)C cdp082fp2lit2 CCc1cc(c(c(n1)CC)C(=O)OCC)Cl cdp082fp2lit3 Cc1ccc(c(n1)[N+](=O)[O-])OC ct074fp3vp1 COc1ccc(nc1[N+](=O)[O-])C(=O)O ct074fp3vp2 CC(=O)Oc1ccc(cc1)C2COc3cc(ccc3C2O)OC(=O)C a160vp3 C(#N)c1nc(nc(n1)C#N)C#N un224 Cc1cc(cnc1)I cdp146fp3de1 Cc1ccnc(c1)I cdp146fp3de2 Cc1ccncc1I cdp146fp3de3 Cc1ccc(c(n1)C)I cdp146fp3de4 c1cc2c([nH]c(=S)s2)nc1 cdp036fp3 COc1ccc(cc1)c2cn3cccc(c3n2)Cl cdp036fp4 c1cc(c2nc(cn2c1)c3ccc(cc3)F)Cl cdp036fp5 c1cc(c2nc(cn2c1)c3ccc4c(c3)OCO4)Cl cdp036fp6 C1CCC2(CC1)CCC(CC2)N.Cl bclit001 C1CCC2(CC1)CCC(CC2)NC(=N)N bclit002 c1cc(ccc1C(=O)Nc2cc(cc(c2)C(=O)Oc3c(cc(cc3Br)Br)C(=O)O)C(=O)Oc4c(cc(cc4Br)Br)C(=O)O)S(=O)(=O)c5ccc(cc5)C(=O)Nc6cc(cc(c6)C(=O)Oc7c(cc(cc7Br)Br)C(=O)O)C(=O)Oc8c(cc(cc8Br)Br)C(=O)O bclit003 C1CC2CC(=O)CC(C1)N2 fpzz0376fp1 c1ccc(cc1)CN2C3CCC2CC(=O)C3.Cl fpzz0376fp2 C1C(=CC(=O)OC1=O)O fpzz0376fp3 c1cncc(c1)/C=C/C(=O)/C=C/c2cnccc2.Cl.Cl fpzz0376fp4 CC(=O)c1cccc(n1)C#N cdp027vp1de8de1 c1cnccc1CCCCN.Cl tv004lit1 c1cc(cnc1)CCCCN.Cl tv004lit2 c1ccnc(c1)CCCCCN.Cl tv004lit3 c1cc(cnc1)CCCCCN.Cl tv004lit4 c1cnccc1CCCCCN.Cl tv004lit5 c1ccnc(c1)CCCCN.Cl tv004lit6 c1ccc2cc(ccc2c1)C(=O)CC(=O)O fpzz0524fp1 c1ccc2cc(ccc2c1)C(=O)CCl fpzz0524fp2 c1ccc2cc(ccc2c1)C(=O)C(Br)Br fpzz0524fp3 c1ccc2cc(ccc2c1)C(=O)CF fpzz0524fp4 c1cnc(c(c1Br)[N+](=O)[O-])N cdp131fp1 c1c(c(cnc1N)[N+](=O)[O-])Br cdp131fp2 c1c(c(cnc1N)Cl)Br cdp131fp3 c1cnc(c(c1Br)Cl)N cdp131fp4 c1c(c(c(c(n1)N)Cl)Br)Cl cdp131fp5 c1c(c(c(cn1)Cl)N)[N+](=O)[O-] cdp285fp1 c1c(c(c(cn1)Br)N)Cl cdp285fp3 COc1c(cnc(n1)N)I fpsc22070fp1 c1ccc(cc1)c2c(ncc(n2)Br)N s010afp2 c1c(c(c(c(n1)N)[N+](=O)[O-])Cl)Cl cdp104fp4fp1 c1c(c(c(c(n1)N)Br)Cl)Cl cdp104fp4fp2 C1CCC2(C(C1)O)SCCS2 a051de1 C1CC(CC2(C1)SCCS2)O a051de2 C1CC(=O)CC2(C1)SCCS2 a051fp1de1 C1CCC2(C(=O)C1)SCCS2 a051fp1de2 c1c(cnc(c1Cl)N)N cdp036fp7 c1cc(c([n+](c1)[O-])Cl)[N+](=O)[O-] cdp038fp1 c1cc(c(nc1C#N)Cl)[N+](=O)[O-] cdp038fp2 c1cc(nc(c1[N+](=O)[O-])Cl)C(=O)O cdp038fp3 c1c(cnc(c1F)N)Br cdp047fp1 c1c(cnc(c1F)N)[N+](=O)[O-] cdp047fp2 c1c(cnc(c1F)N)N cdp047fp3 c1cc(c(nc1)CBr)[N+](=O)[O-] cdp050fp1 c1cc(c(nc1)CCO)[N+](=O)[O-] cdp050fp2 Cc1c(ccc[n+]1[O-])[N+](=O)[O-] cdp050fp3 c1cc(c(nc1)[N+](=O)[O-])I cdp057fp1 c1cnc(c(c1N)F)N cdp074fp2 c1cnc(c(c1N)Cl)N cdp074fp3 c1c(c(cnc1N)Cl)N cdp074fp4 c1c(c(c(c(n1)N)Cl)N)Cl cdp074fp5 c1cnc(c(c1N)[N+](=O)[O-])N cdp074fp6 c1c(c(cnc1N)[N+](=O)[O-])N cdp074fp7 c1c(c(cnc1N)N)N cdp074fp8 c1cnc(c(c1N)N)N cdp074fp9 Cc1ccnc(c1)C(=O)N cdp081fp3 Cc1cc(ccn1)C(=O)N cdp082fp3 c1cnc(cc1[N+](=O)[O-])C(=O)N cdp090vp1fp2 c1cnc(c(c1N)Cl)Cl cdp092fp11 CCOc1ccc2ccccc2c1N un194vp1np1fp1 COc1cc(c(cn1)[N+](=O)[O-])N cdp092fp4fp1 COc1cc(c(cn1)Cl)N cdp092fp4fp2 COc1c(c(ccn1)N)Cl cdp092fp4fp3 c1cnc(c(c1N)Cl)F cdp099fp3 c1c(c(cnc1F)Cl)N cdp099fp4 c1c(c(cnc1F)Br)N cdp099fp5 c1cnc(c(c1Cl)Br)N cdp104fp15 COc1ccnc(c1Cl)N cdp104fp2fp3 COc1cc(ncc1Cl)N cdp104fp2fp4 COc1cc(ncc1Br)N cdp104fp2fp5 COc1ccnc(c1Br)N cdp104fp2fp6 COc1cc(ncc1N)N cdp104fp2fp7 CN(C)CCN1C(=O)c2cccc3c2c(cc(c3)[N+](=O)[O-])C1=O fd013vp1 c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)CCN4CCCC4)[N+](=O)[O-] fd013de1 CCN(CC)CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O fd013de2 CN(C)CCN1C(=O)c2cccc3c2c(ccc3)C1=O fd013de3 CNCCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O fd013de4 c1cc2c(c(ccn2)Cl)nc1 ct009lit1 c1cc2c(c(c(cn2)[N+](=O)[O-])O)nc1 ct009fp1 c1ccc(cc1)C(=O)OC2CCC(CC2)OC(=O)c3ccccc3 a051vp1np1 c1cnc(cc1C(=O)N)[N+](=O)[O-] cdp114fp1 CCOC(=O)c1ccnc(c1)[N+](=O)[O-] cdp114fp2 c1cnc(c(c1Cl)C=O)F cdp118fp1 c1cnc(c(c1Cl)C(=O)O)F cdp118fp2 B(c1c(ccnc1F)Cl)(O)O cdp118fp3 c1ccc(cc1)c2ccnc(c2)CCl cdp122fp1 c1ccc(cc1)c2ccnc(c2)CO cdp122fp2 c1ccc(cc1)c2ccnc(c2)C=O cdp122fp3 B(c1cc(ccn1)c2ccccc2)(O)O cdp123fp1 c1cnc(c(c1Br)N)N cdp131fp6 CC(=O)CC(=O)c1ccccn1 tv014de1 CC(=O)CC(=O)c1cccnc1 tv014de2 Cc1cc(ccn1)C(=O)CC(=O)C tv014de3 Cc1cnccc1C(=O)CC(=O)C tv014de4 COC(=O)CC(=O)c1ccncc1 tv014de5 CCOC(=O)c1ccnc(c1C)Br cin047de1 CCOC(=O)c1cc(ncc1C)Br cin047de2 Cc1cnc(cc1CO)Cl cin047np1fp1 Cc1cnc(cc1C=O)Cl cin047np1fp2 c1cncc(c1CO)Br ct051fp5 c1cnc(c(c1CO)Cl)Cl cin105fp3 c1cnc2c(c1Cl)[nH]cn2 cdp104fp6lit1 c1cnc2c(c1N)[nH]cn2 cdp104fp6lit2 c1c(c2c(nc[nH]2)nc1Cl)Cl cdp104fp6lit3 c1c2c(cnc1N)[nH]cn2 cdp104fp6lit4 c1c2c(cnc1N)[nH]nn2 cdp104fp6lit5 c1cnc(c2c1nc[nH]2)N cdp104fp6lit6 c1c(c(c(nc1Cl)Cl)N)N ct440lit1 c1c2c(c(nc1Cl)Cl)nc[nH]2 ct440lit2 c1c(cncc1O)C=O cia038de1 c1cncc(c1O)CO f002fp1fp3de1 Cn1c(c2ccccc2c1c3ccncc3)c4ccncc4 hs2-c9 CC(=O)C1C(=O)N(C(=O)N(C1=O)C)C wh156 COc1ccncc1C(=O)O ct342lit1 COc1ccncc1C(=O)OC ct342lit2 CCOc1ccncc1C(=O)O.Cl ct342lit3 c1c(o[nH]c1=O)CN un227 CC(C)(C#N)c1ccccn1 qe007vp1 Cc1cccc(n1)C(C)(C)C#N qe007vp1de1 Cc1ccc(nc1)C(C)(C)C#N qe007vp1de2 Cc1ccnc(c1)C(C)(C)C#N qe007vp1de3 Cc1cccnc1C(C)(C)C#N qe007vp1de4 Cc1cccc(n1)C(C)(C)CN qe007vp1de1fp1 Cc1ccc(nc1)C(C)(C)CN qe007vp1de2fp1 Cc1ccnc(c1)C(C)(C)CN qe007vp1de3fp1 Cc1cccnc1C(C)(C)CN qe007vp1de4fp1 c1cnc(c(c1Br)Br)N cdp131fp7 c1c(c(cnc1N)Br)Br cdp131fp8 c1c(cnc(c1Cl)N)S(=O)(=O)O cdp156fp2 Cc1ccc(c[n+]1[O-])[N+](=O)[O-] cdp160fp2 Cc1ccc(c[n+]1[O-])F cdp167fp1 Cc1cc(c(c[n+]1[O-])F)[N+](=O)[O-] cdp167fp2 Cc1cc(c(cn1)F)N cdp167fp3 Cc1cc(c(c[n+]1[O-])N)[N+](=O)[O-] cdp167fp4 Cc1cc(c(c(n1)Cl)N)[N+](=O)[O-] cdp167fp5 c1ccc(cc1)c2cc(c(nc2)N)Cl cdp170fp1 c1ccc(cc1)c2cc(c(nc2)N)[N+](=O)[O-] cdp170fp2 c1cc(nc(c1O)Br)Cl cdp172fp3 c1c(c(c(nc1Cl)Br)O)Br cdp172fp4 c1c(c(c(nc1Cl)I)O)Br cdp172fp1fp1 c1cc(nc(c1O)Cl)Br cdp175fp3 c1cc(nc(c1O)I)Br cdp175fp4 c1c(c(c(nc1Br)I)O)Br cdp175fp5 c1c(c(c(nc1Br)Cl)O)Br cdp175fp6 c1cc(ncc1F)CC#N cdp182fp1 c1c(c(cnc1F)F)C=O cdp182fp2 c1c(c(cnc1F)F)I cdp182fp2a B(c1cc(ncc1F)F)(O)O cdp182fp2b COC(=O)c1ccc(cn1)F cdp187fp1 CCOC(=O)c1ccc(cn1)F cdp187fp2 c1cc(ncc1F)CO cdp187fp3 c1cc(nc(c1Cl)N)F cdp192fp5a c1cc(nc(c1Br)N)F cdp192fp6 c1cc(nc(c1[N+](=O)[O-])N)F cdp192fp7 c1cc(nc(c1[N+](=O)[O-])N)C(=O)O cdp203fp3 c1ccc(cc1)c2cccc([n+]2[O-])C(=O)O cdp205fp4 c1ccc(cc1)c2cccc(n2)CO cdp205fp5 c1ccc(cc1)c2cccc(n2)CN cdp205vp1fp1 CC(=O)c1cccc(n1)c2ccccc2 cdp205vp1fp2 c1cc(nc(c1C=O)F)Cl cdp212fp1 B(c1ccc(nc1F)Cl)(O)O cdp212fp2 COc1cc2c(c(c1)OC)C(c3ccc(cc3CC2)OCC(=O)O)NC(=O)OCC4c5ccccc5-c6c4cccc6 dc01 Cc1ccc(cc1)S(=O)(=O)OCC2COc3ccc4c(c3O2)ccc(n4)C dc02 CC(C)(C)C(=O)N1C2CCC1C(=O)C2C(=O)OC dc04 CC(=O)C1Cc2ccccc2C1 dc05 C1C2C(C(S1)CCCCNC(=O)CCCOCCOCCOCCCNC(=O)CCS)NC(=O)N2 dc06 CC(=O)C1CCCN(C1)C(=O)OC(C)(C)C dc07 CC(C)(C)OC(=O)N1CCCC(C1)C(=O)Cc2cccnc2 dc08 CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CS(=O)(=O)C dc09 Cc1cnoc1CC(=O)C2CCCN(C2)C(=O)OC(C)(C)C dc10 CC(C)(C)OC(=O)N1CCCC(C1)C(=O)Cc2ccncc2 dc11 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CS(=O)(=O)C dc12 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC(=O)OC dc13 Cc1cc(on1)CC(=O)C2CCN(CC2)C(=O)OC(C)(C)C dc14 c1c(cc(c2c1c3c([nH]2)CCC(C3)(C(=O)O)N)Cl)Cl dc15 c1c(cc(c2c1c3c([nH]2)CCC(C3)(C(=O)O)N)Cl)F dc16 CCC(C)C(C(=O)O)NC(=O)Cc1ccccc1F dc17 c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O dc18 c1ccc(cc1)[C@H]2CC(=O)NC2 jg119 C1CN2CCC1C(C2)C(=O)O.Cl jg120 COC(=O)C1CN2CCC1CC2.Cl jg121 Cc1ccc2c(n1)c(ccn2)O ct009lit2 COc1ccc2c(n1)c(ccn2)O ct009lit3 Cc1cc2c(c(ccn2)O)nc1 ct009de3 Cc1ccnc2c1nccc2O ct009de4 COc1cc2c(c(ccn2)O)nc1 ct009de5 B(c1ccc(nc1F)Br)(O)O cdp218fp1 c1cc(nc(c1C=O)F)Br cdp218fp2 CCOC(=O)c1cc(cnc1)F cdp221fp4 Cc1c[n+](cc(c1[N+](=O)[O-])Br)[O-] cdp226fp2 Cc1cc(c(nc1Br)Br)N cdp227fp2 c1c(c[n+](cc1N)[O-])N cdp230fp1 c1c(cnc(c1N)O)N cdp230fp2 c1c(cnc(c1N)Cl)N cdp230fp3 Cc1c(cc(cn1)N)Cl cdp238vp2fp2 c1c(cnc(c1N)I)Cl cdp239fp1 CCOc1c(c(ccn1)N)Br a007de1fp8 c1c(cnc(c1Br)I)C(=O)O cdp240vp1fp4 Cc1ccnc(c1O)[N+](=O)[O-] cdp254fp1 c1c(c(c(cn1)F)N)[N+](=O)[O-] cdp259fp1 c1c(c(c(cn1)F)N)N cdp259fp2 c1c(c(c(cn1)Cl)N)F cdp259fp3 c1c(c(c(cn1)Br)N)F cdp259fp4 COc1c[n+](ccc1[N+](=O)[O-])[O-] cdp259vp1fp2 CCOc1c[n+](ccc1[N+](=O)[O-])[O-] cdp259vp1fp3 Cc1c[n+](ccc1C(=O)O)[O-] cdp263fp6 c1c[n+](cc(c1N)Cl)[O-] cdp285fp4 Cc1cc(c(cn1)Cl)N cdp316fp12 CC(=O)c1ccnc(c1)OC cia028vp1fp2 COc1cc(cc[n+]1[O-])C#N cia028vp1fp3 Cc1cc(cc[n+]1[O-])CO cia032fp1 c1cc(c(nc1C#N)Cl)Cl cin105vpfp9 c1cc(c([n+](c1)[O-])Cl)Cl cin105vpfp10 c1cnc(c(c1I)Cl)Cl cin105vpfp11 CCOC(=O)c1cnc(cc1OC)OC ct010fp8a CCOc1cc(ncc1C(=O)OCC)OCC ct010fp9 CN(C(=O)c1ccncc1Br)OC ct051fp6 C[Sn](C)(C)c1ccc(nc1)F rp027lit1 C[Sn](C)(C)c1cnc(nc1)Cl rp027lit2 C[Sn](C)(C)c1cc(c(nc1)F)Br rp027lit3 C[Sn](C)(C)c1cnc(nc1)F rp027lit4 CCOc1c(c(ccn1)N)Cl a007de1fp9 CCOc1cc(c(cn1)Cl)N a007de1fp10 CCNc1nc(nc(n1)NC(C)C)NCC f160 c1cc(nc(c1Cl)N)Br rp049vp1fp1 c1cc(nc(c1Cl)Br)N rp049vp1fp2 c1cc(nc(c1Br)N)Br rp049vp1fp3 c1cc(nc(c1[N+](=O)[O-])Br)N rp049vp1fp4 c1ccc(cc1)n2cc(nn2)c3ccc(cc3)N f162 c1ccc(cc1)n2c(cnn2)c3ccc(cc3)N f163 COC(=O)c1cc[n+](cc1Br)[O-] ct051de1fp3 c1ccc(cc1)c2ccc(c(n2)N)Cl ct085fp2 c1ccc(cc1)c2ccc(c(n2)N)[N+](=O)[O-] ct085fp3 c1cnc(c(c1N)Cl)Br ct088fp6 CCOC(=O)c1ccc(nc1)I rp017vp1 c1cc(ncc1CO)I rp017vp2 c1cc(c(nc1)I)C(=O)O un202de1 COc1cc(c(cn1)Br)N cdp092fp4fp4 CCOc1cc(ccn1)OC ct091fp1 c1cc(nc(c1[N+](=O)[O-])Cl)N cdp206fp1 c1cc(nc(c1Cl)Cl)N cdp206fp2 c1cc(nc(c1Cl)N)Cl cdp206fp3 c1cc(nc(c1Br)N)Cl cdp206fp4 c1cc(nc(c1Br)Cl)N cdp206fp5 c1ccc2c(c1)ncc([n+]2[O-])N ct256fp4 c1ccc(cc1)c2ccnc(c2[N+](=O)[O-])N ct317fp1 c1ccc(cc1)c2ccnc(c2Cl)N ct317fp2 c1ccc(cc1)c2cc(ncc2Cl)N ct317fp3 c1ccc(cc1)c2cc(ncc2Br)N ct317fp4 c1ccc(cc1)c2ccnc(c2Br)N ct317fp5 c1ccc(cc1)c2ccnc(c2N)N ct317fp6 CS(=O)(=O)c1ccc(c(c1)C(=O)O)O bclit004 COC(=O)c1cc(ccc1O)S(=O)(=O)C bclit005 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2F)C#N bclit006 CC(C)(C)OC(=O)N1CCN(CC1)c2cnc(cn2)C(F)(F)F bclit007 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(nn2)C(F)(F)F bclit008 CC(C)(C)OC(=O)N1CCN(CC1)c2cnc(nc2)C(F)(F)F bclit009 CC(C)(C)OC(=O)N1CCN(CC1)c2c(cc(cn2)C(F)(F)F)F bclit010 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cn2)C(F)(F)F bclit011 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2F)C(F)(F)F bclit012 CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2Cl)C(F)(F)F bclit013 c1ccc(cc1)CN2CCN(CC2)c3ncc(cn3)C(F)(F)F bclit014 C#Cn1cnc2c1ncnc2NC3CC3 bclit015 C#Cc1cnc2n1cccc2 bclit016 C#Cc1cnc2n1nccc2 bclit017 CC(=O)Nc1cccn2c1ncc2Br bclit018 CC(=O)Nc1cccn2c1ncc2C#C bclit019 c1cc(c2ncc(n2c1)Br)N bclit020 c1cc(c(cc1[N+](=O)[O-])C(F)(F)F)CBr bclit021 CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)[N+](=O)[O-] bclit022 CN1CCN(CC1)Cc2ccc(cc2Br)[N+](=O)[O-] bclit023 CN1CCN(CC1)Cc2ccc(cc2C3CC3)[N+](=O)[O-] bclit024 CN1CCN(CC1)Cc2ccc(cc2C3CC3)N bclit025 Cc1cc2c(cc1C)nc([nH]2)Br bclit026 c1cc(ccc1NC(=O)CCCCBr)Br bclit028 c1cc(ccc1NC(=O)CCCCCBr)Br bclit029 c1cc(ccc1NC(=O)CCCCN2CCCCC2)Br bclit030 c1cc(ccc1NC(=O)CCCCCN2CCCCC2)Br bclit031 c1cc(ccc1NC(=O)CCCCN2CCOCC2)Br bclit032 c1cc(ccc1NC(=O)CCCCCN2CCOCC2)Br bclit033 c1cc(ccc1NC(=O)NCCCCN2CCCCC2)Br bclit034 c1cc(ccc1NC(=O)NCCCCN2CCOCC2)Br bclit035 Cn1c(ccn1)c2cc(ccc2OC)[N+](=O)[O-] bclit036 Cn1c(ccn1)c2cc(ccc2O)[N+](=O)[O-] bclit037 C1CNCC2=C1SCCC2=O bclit038 CC1CSC2=C(C1=O)CNCC2 bclit039 CC1CSC2=C(C1O)CNCC2 bclit040 c1ccc(cc1)N2c3ccccc3NS2(=O)=O bclit041 c1ccc2c(c1)NS(=O)(=O)N2c3ccccc3F bclit042 c1ccc2c(c1)NS(=O)(=O)N2c3ccccc3Cl bclit043 Cc1ccccc1N2c3ccccc3NS2(=O)=O bclit044 COc1cccc(c1)N2c3ccccc3NS2(=O)=O bclit045 c1ccc2c(c1)NS(=O)(=O)N2c3ccc(cc3)F bclit046 Cn1cc2c(nc(nc2n1)c3ccccc3)N bclit047 CC(C)(C)n1c(ccn1)c2ccc(cc2)[N+](=O)[O-] bclit048 CC(C)(C)n1ccc(n1)c2ccc(cc2)[N+](=O)[O-] bclit049 c1cc2ccc(c(c2nc1)N3CCC(=O)CC3)F bclit050 c1ccc(cc1)c2cc3cc(ccc3[nH]2)N bclit051 c1c[nH]c2c1c(nc(n2)Cl)N3CCOCC3 bclit052 Cc1ccc(cc1[N+](=O)[O-])c2c(cccn2)C(F)(F)F bclit053 COc1ccc(cc1)c2c(cccn2)C(F)(F)F bclit054 c1cc(c(nc1)c2ccc(cc2)O)C(F)(F)F bclit055 CC(C)(C)OC(=O)Nc1c(c(ccn1)Cl)C=O bclit056 CC(C)(C)c1c(c(ncn1)O)Br ct356lit1 c1ccc(cc1)c2c(c(ncn2)O)Br ct356lit2 CC(C)(C)c1c(c(ncn1)Cl)Br ct356lit3 c1ccc(cc1)c2c(c(ncn2)Cl)Br ct356lit4 CC(C)(C)c1c(c(ncn1)NN)Br ct356lit5 Cc1c(c(ncn1)NN)Br ct356lit6 c1ccc(cc1)c2c(c(ncn2)NN)Br ct356lit7 CC(C)(C)c1c(cncn1)Br ct356lit8 CC(C)(C)c1c(cncn1)N ct356lit9 c1ccc(cc1)c2c(cncn2)N ct356lit10 CC(C)(C)c1c(c(ncn1)O)Cl ct356de6 c1ccc(cc1)c2c(c(ncn2)O)Cl ct356de7 CC(C)(C)c1c(c(ncn1)Br)Br ct356de8 Cc1c(c(ncn1)Br)Br ct356de9 c1ccc(cc1)c2c(c(ncn2)Br)Br ct356de10 Cc1cc(ncn1)Br ct356de11 CC(C)(C)c1cc(ncn1)Br ct356de12 c1ccc(cc1)c2cc(ncn2)Br ct356de13 C1CCC(CC1)(CCO)CCO bclit001vp1 C1CCC(CC1)(CCBr)CCBr bclit001vp2 C1CCC2(CC1)CCC(CC2)C(=O)O bclit001vp3 CC(C)(CCO)CCO bclit001lit01 C1CCC(C1)(CCO)CCO bclit001lit02 C1CCC(C1)(CCBr)CCBr bclit001lit03 CC(C)(C=C)C=C bclit001lit04 C=CC1(CCCC1)C=C bclit001lit05 C=CC1(CCCCC1)C=C bclit001lit06 C1CC1(CC(=O)O)CC(=O)O bclit001de1 C1CC1(CCO)CCO bclit001de2 C1CC1(CCBr)CCBr bclit001de3 C1CC2(CCC1C(=O)O)CC2 bclit001de4 C1CC2(CCC1N)CC2 bclit001de5 C1CC(C1)(CC(=O)O)CC(=O)O bclit001de6 C1CC(C1)(CCO)CCO bclit001de7 C1CC(C1)(CCBr)CCBr bclit001de8 C1CC2(C1)CCC(CC2)C(=O)O bclit001de9 C1CC2(C1)CCC(CC2)N bclit001de10 C1CCC2(C1)CCC(CC2)C(=O)O bclit001de11 C1CCC2(C1)CCC(CC2)N.Cl bclit001de12 B(c1c(ccnc1Br)Br)(O)O ct069fp5 c1ccc2c(c1)c(cnc2Cl)C=O ct070fp3 B(c1cnc(c2c1cccc2)Cl)(O)O ct070fp4 CCOc1c(c(ccn1)Br)C=O ct091fp2 B(c1c(ccnc1OCC)Br)(O)O ct091fp3 c1ccc2c(c1)cc(nc2Br)Br ct095vp1fp3 COC(=O)c1c(ccc[n+]1[O-])N ct255fp3fp5 c1cc2c([nH]c(=O)c3n2ccc3)nc1 ct255fp3fp6 c1cc2c(c(cc(=O)[nH]2)O)nc1 ct255fp3fp7 c1cc(c(nc1)CO)N ct255fp3fp8 c1ccc2c(c1)nc(c(n2)Br)N ct256fp5 Cc1cc2c(c(ccn2)C(=O)O)nc1C f002afp8 CCOC(=O)c1ccncc1F f002afp5fp1 C1CC(=O)NCC1=O f011fp1 CC(=O)Oc1ccc(=O)[nH]c1 f011fp2 c1c2c(cc(s2)I)sc1I hs049fp1 c1c(sc2c1sc(c2)C=O)C=O hs049fp2 c1csc2c1sc(c2)C=O hs049fp3 C1=C2C(=CC(=O)S2)SC1=O hs049fp4 CC(C)(C)c1c[nH]c2c1cc(cc2)Cl md017fp15 COC(=O)C(=O)c1c[nH]c2c1cc(cc2)Cl md017fp16 c1ccc(cc1)S(=O)(=O)n2ccc3c2ccc(c3)Cl md017fp17 CCOC(=O)C(=O)c1c[nH]c2c1cc(cc2)Cl md017fp18 c1cc2c(cc1Cl)c(c[nH]2)CCC=O md017fp19 c1ccc(cc1)c2c[nH]c3c2cc(cc3)Cl md017fp20 c1cc2c(cc1Cl)c(c[nH]2)CO md017fp21 c1ccc2c(c1)c(c(c(n2)Cl)[N+](=O)[O-])N qn016fp1 c1ccc2c(c1)c(c(c(n2)Cl)N)N qn016fp2 c1ccc2c(c1)c(c(c(n2)Cl)Cl)N qn016fp3 c1ccc2c(c1)c(c(c(n2)Cl)Br)N qn016fp4 c1ccc2c(c1)c(c(c(n2)N)[N+](=O)[O-])Br qn025fp1 c1ccc2c(c1)c(c(c(n2)N)N)Br qn025fp2 c1ccc2c(c1)c(c(c(n2)N)Cl)Br qn025fp3 c1ccc2c(c1)c(c(c(n2)N)Br)Br qn025fp4 c1ccc2c(c1)c(cc(n2)Br)I qn033fp1 c1ccc2c(c1)c(c(c(n2)Br)CO)Br qn033fp2 c1ccc2c(c1)c(c(c(n2)Br)C=O)Br qn033fp3 Cc1cc(cc(n1)N)N cdp074de2 Cc1cnc(cc1N)N cdp074de3 Cc1c(ccnc1N)N cdp074de4 Cc1c(nc(cc1N)N)C cdp074de5 Cc1cc(c(c(n1)N)C)N cdp074de6 Cc1c(cncc1N)N cdp230de1 Cc1c(cc(c(n1)C)N)N cdp230de2 Cc1c(cnc(c1N)C)N cdp230de3 Cc1c(c(nc(c1N)C)C)N cdp230de4 c1ccc2c(c1)c(c(cn2)F)C(=O)O qn055fp1 c1ccc2c(c1)cc(c(n2)C#N)F qn055fp2 c1ccc2c(c1)c(c(cn2)F)C=O qn055fp3 CCOC(=O)c1cc[n+](cc1C)[O-] cin047vp2 Cc1c(c(c(nc1Cl)O)Cl)O rp058fp1 Cc1c([nH]c2c1cc(nc2Br)Br)C s006fp3 c1c(cnc(c1[N+](=O)[O-])Br)N s007fp1 c1c(cnc(c1Br)Br)N s007fp2 CN1CCCN(CC1)c2c(ncc(n2)Br)N s010afp3 c1ccc(cc1)c2cnc(c(n2)c3ccccc3)N s010afp4 c1cc(nc(c1F)CO)Br s013fp3 B(c1cncc(c1Cl)C)(O)O a004de1 Cc1cncc(c1Cl)O a004de2 B(c1c(nc(cc1Cl)C)C)(O)O a004de3 B(c1cncc(c1Cl)Cl)(O)O a004de4 c1c(c(c(cn1)Cl)Cl)O a004de5 B(c1c(cc(nc1Cl)Cl)Cl)(O)O a004de6 c1c(c(c(nc1Cl)Cl)O)Cl a004de7 B(c1cncc(c1Br)C)(O)O a005de1 Cc1cncc(c1Br)O a005de2 c1cc(cnc1)NS(=O)(=O)c2ccc(cc2)O un150de4 c1cc(ccc1O)S(=O)(=O)Nc2ccncc2 un150de5 c1ccc(cc1)S(=O)(=O)Nc2ccncc2 un150de6 c1ccc(cc1)S(=O)(=O)Nc2cccnc2 un150de7 c1ccnc(c1)NS(=O)(=O)c2cccc(c2)O un150de8 c1cc(cc(c1)S(=O)(=O)Nc2cccnc2)O un150de9 c1cc(cc(c1)S(=O)(=O)Nc2ccncc2)O un150de10 c1ccc(c(c1)O)S(=O)(=O)[O-].[Na+] un150de11 c1cc(ccc1O)S(=O)(=O)Nc2nccs2 un150lit1 c1cnc(nc1)NS(=O)(=O)c2ccc(cc2)O un150lit2 c1c(=O)c(c(oc1C(=O)O)C(=O)O)O un165lit1 c1c(=O)c(c[nH]c1C(=O)O)O un165lit2 CCOC(=O)c1cc(=O)cco1 un165lit3 CCOC(=O)c1cc(=O)c(co1)O un165lit4 c1cc(c(nc1)S(=O)(=O)O)C(=O)O un182lit1 c1ccc(cc1)c2cnc(c(n2)C#N)N un199lit1 c1ccc(cc1)C(c2ccccc2)OCC3CCCNC3 u006de1 c1ccc(cc1)C(c2ccccc2)OCC3CCCCN3 u006de2 c1ccc(cc1)C(c2ccccc2)OCc3ccncc3 u006de3 c1ccc(cc1)C(c2ccccc2)OCc3cccnc3 u006de4 c1ccc(cc1)C(c2ccccc2)OCc3ccccn3 u006de5 CCOC(=O)c1cc2c(cccc2o1)N rp017lit1 CCOC(=O)c1cc2c(o1)cccc2I rp017lit2 CCOC(=O)c1cc2cc(ccc2o1)I rp017lit3 CCOC(=O)c1ccc2cc(ccc2n1)I rp017lit4 COC(=O)c1cc2c(cccc2I)cn1 rp017lit5 c1cc2c(cc1[N+](=O)[O-])ncc(n2)C(=O)O rp017lit6 CCOC(=O)c1cnc2cc(ccc2n1)[N+](=O)[O-] rp017lit7 CCOC(=O)c1cnc2cc(ccc2n1)N rp017lit8 CCOC(=O)c1cnc2cc(ccc2n1)I rp017lit9 CCOC(=O)c1ccc2cnccc2n1 rp017lit10 CCOC(=O)c1ccc2cncc(c2n1)I rp017lit11 C(=O)c1c(c(nc(c1F)F)F)F rp018de1 CCOc1cc(cc(n1)OCC)C=O rp018de2 c1ccc(cc1)c2cc(cc(n2)c3ccccc3)C=O rp018de3 c1ccc(cc1)c2cc(ccn2)C=O rp018de4 c1c(cc(nc1F)F)C=O rp018de5 CCOc1cc(ccn1)C=O rp018de6 COc1cncc(c1C=O)Cl rp018de7 c1c(c(c(nc1F)F)F)C=O rp018de8 c1cnc(c(c1C=O)Cl)F rp018de9 c1cnc(c(c1C=O)F)F rp018de10 c1c(c(c(nc1F)F)C=O)F rp018de11 C(=O)c1c(c(c(nc1F)F)F)F rp018de12 Cc1c(cc(cn1)c2ccccc2)C=O rp018de13 c1ccc(cc1)c2cc(cnc2)C=O rp018de14 c1ccc(cc1)c2c(cccn2)C=O rp018de15 C(=O)c1c(c(c(nc1Cl)Cl)Cl)Cl rp018de16 c1c(c(nc(c1Cl)Cl)Cl)C=O rp018de17 COc1c(cc(cn1)Cl)C=O rp018de18 Cc1ccnc(c1C=O)C rp018de19 Cc1cc(c(c(n1)C)C=O)Cl rp018de20 Cc1c(ccc(n1)c2ccccc2)C=O rp018de21 c1c(c(c(nc1Cl)Cl)C=O)Cl rp018de22 c1ccc(cc1)c2ccc(c(n2)Cl)C=O rp018de23 c1c(c(nc(c1F)Cl)Cl)C=O rp018de24 Cc1cc(c(nc1)C)C=O rp018de25 c1c(cnc(c1C=O)F)F rp018de26 CCC1CNC(=O)N1 a266de1 c1ccc(cc1)C2CNC(=O)N2 a266de2 c1ccc(cc1)C2C(NC(=O)N2)c3ccccc3 a266de3 CCC1CCNC(=O)N1 a266de4 CC1CNC(=O)NC1 a266de5 c1ccc(cc1)C2CNC(=O)NC2 a266de6 CC(C)(C)C1CNC(=O)NC1 a266de7 CC1CNC(=O)O1 a266de8 CCC1COC(=O)N1 a266de9 CCC1CNC(=O)O1 a266de10 CC1C(OC(=O)N1)C a266de11 CCC1C(OC(=O)N1)C a266de12 CC1C(NC(=O)O1)c2ccccc2 a266de13 c1ccc(cc1)c2cc(c(nc2)C#N)c3ccccc3 rp211de5 c1ccc(cc1)c2cc(c(nc2)C(=O)O)c3ccccc3 rp211de6 Cc1ccc(c(n1)C(=O)O)I rp211de7 Cc1ccc(c(n1)C#N)I rp211de8 Cc1cc(c(nc1C)C#N)C rp211de9 Cc1cc(c(nc1C)C(=O)O)C rp211de10 Cc1cc(nc(c1C)C(=O)O)C rp211de11 Cc1cc(nc(c1C)C#N)C rp211de12 Cc1cc(nc(c1C)C)C#N rp211de13 Cc1cc(nc(c1C)C)C(=O)O rp211de14 Cc1ccc(c(n1)C(=O)O)c2ccccc2 rp211de15 Cc1ccc(c(n1)C#N)c2ccccc2 rp211de16 Cc1c(ccc(n1)C#N)c2ccccc2 rp211de17 Cc1c(ccc(n1)C(=O)O)c2ccccc2 rp211de18 Cc1cc(nc(c1)C(=O)O)c2ccccc2 rp211de19 Cc1cc(nc(c1)c2ccccc2)C#N rp211de20 CCOc1ccc(nc1C)C#N rp211de21 CCOc1ccc(nc1C)C(=O)O rp211de22 Cc1ccc(nc1c2ccccc2)C#N rp211de23 Cc1ccc(nc1c2ccccc2)C(=O)O rp211de24 COc1c(ccc(n1)C(=O)O)Br rp211de25 COc1c(ccc(n1)C#N)Br rp211de26 COc1c(cc(c(n1)C#N)Br)Br rp211de27 COc1c(cc(c(n1)C(=O)O)Br)Br rp211de28 COc1c(ccc(n1)C(=O)O)Cl rp211de29 COc1c(ccc(n1)C#N)Cl rp211de30 COc1ccc(c(n1)C#N)Br rp211de31 COc1ccc(c(n1)C(=O)O)Br rp211de32 Cc1c(ccc(n1)C#N)I rp211de33 Cc1c(ccc(n1)C(=O)O)I rp211de34 c1c(c(nc(c1Cl)Cl)C#N)Cl rp211de35 c1c(c(nc(c1Cl)Cl)C(=O)O)Cl rp211de36 Cc1ccc2c(cc(=O)[nH]c2c1)N qn011de1 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 COc1cccc2c1[nH]c(=O)cc2N qn011de3 COc1ccc2c(c1)c(cc(=O)[nH]2)N qn011de4 COc1ccc2c(cc(=O)[nH]c2c1)N qn011de5 Cc1cccc2c1c(cc(=O)[nH]2)N qn011de6 Cc1cccc2c1[nH]c(=O)cc2N qn011de7 c1ccc(cc1)c2c(c3ccccc3[nH]c2=O)O qn011lit1 c1ccc2c(c1)c(c(c(=O)[nH]2)C#N)O qn011lit2 COc1c(c2ccccc2[nH]c1=O)O qn011lit3 c1ccc2c(c1)c(c(c(n2)Cl)C#N)Cl qn011lit4 c1ccc2c(c1)c(c(c(n2)Cl)Cl)Cl qn011lit5 COc1c(c2ccccc2nc1Cl)Cl qn011lit6 CCOc1cc(c2ccccc2n1)N qn016lit1 CCOc1cc(c2ccccc2n1)C#N qn016lit2 c1ccc2c(c1)c(c(c(n2)Cl)Br)Cl qn033lit1 CCOC(=O)c1cc2c(s1)ccs2 hs049lit1 c1c2c(c(c(s2)Br)Br)sc1Br hs049lit2 c1ccc(cc1)c2cc(ccn2)C#N cia036vp1de1 COc1cc(cc(n1)OC)C#N cia036vp1de2 Cc1cc(cc(n1)c2ccccc2)C#N cia036vp1de3 c1c(cc(nc1C#N)C#N)C#N cia036vp1de4 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O hs2-b008lit1 Cc1cccc2c1[nH]c3c2c4c(c5c3[nH]c6c5cccc6C)C(=O)NC4=O hs2-b008lit2 COc1ccc2c(c1)[nH]c3c2c4c(c5c3[nH]c6c5ccc(c6)OC)C(=O)NC4=O hs2-b008lit3 c1cc2c(cc1F)[nH]c3c2c4c(c5c3[nH]c6c5ccc(c6)F)C(=O)NC4=O hs2-b008lit4 COc1ccc2c(c1)c3c4c(c5c6cc(ccc6[nH]c5c3[nH]2)OC)C(=O)NC4=O hs2-b008lit5 c1cc2c(c(c1)F)c3c4c(c5c6c(cccc6F)[nH]c5c3[nH]2)C(=O)NC4=O hs2-b008lit6 c1cc2c(cc1O)[nH]c3c2c4c(c5c3[nH]c6c5ccc(c6)O)C(=O)NC4=O hs2-b008lit7 c1cc2c(cc1O)c3c4c(c5c6cc(ccc6[nH]c5c3[nH]2)O)C(=O)NC4=O hs2-b008lit8 c1cc2c(cc1Cl)c3c4c(c5c6cc(ccc6[nH]c5c3[nH]2)Cl)C(=O)NC4=O hs2-b008lit9 c1cc2c(cc1Br)c3c4c(c5c6cc(ccc6[nH]c5c3[nH]2)Br)C(=O)NC4=O hs2-b008lit10 c1cc2c(c3c1CS(=O)(=O)C3)CS(=O)(=O)C2 hs2-b024li1 CC(C)(C)N1Cc2ccc3c(c2C1)CN(C3)C(C)(C)C hs2-b024lit2 CC(C)(C)n1cc2ccc3cn(cc3c2c1)C(C)(C)C hs2-b024lit3 CC(C)(C)n1cc2c3cn(cc3c4cn(cc4c2c1)C(C)(C)C)C(C)(C)C hs2-b024lit4 c1c(c(cs1)Br)c2cscc2Br hs2-b024lit5 c1c(c(cs1)c2cscc2C=O)C=O hs2-b024lit6 c1c(c(cs1)c2cscc2CO)CO hs2-b024lit7 c1c2c(cs1)-c3cscc3COC2 hs2-b024lit8 c1ccc2cscc2c1 hs2-b024lit9 C[Sn](C)(C)c1cccc2c1c(ccc2)[Sn](C)(C)C f033lit1 c1cc2cccc(c2c(c1)C=O)C=O dna001 c1ccc2c(c1)ccc(c2C(=O)O)Br dna002 c1ccc2c(c1)ccc(c2C(=O)O)I dna003 c1ccc(cc1)c2cc(cc3c2cccc3)C(=O)O dna004 Cc1cc2ccccc2cc1C=O dna005 c1cc2ccc(cc2c(c1)[N+](=O)[O-])S(=O)(=O)O dna006 COc1c2ccccc2ccc1O dna007 Cc1cccc2c1cc(cc2)c3ccccc3 dna008 Cc1cccc2c1ccc(c2)Cl dna009 Cc1cccc2c1ccc(c2)c3ccccc3 dna010 c1ccc2c(c1)cc(cc2C#N)C#N dna011 c1cc2cc(ccc2c(c1)Br)Br dna012 c1ccc2c(c1)cc(cc2O)[N+](=O)[O-] dna013 c1cc2ccc(cc2c(c1)O)[N+](=O)[O-] dna014 Cc1cccc2c1c(ccc2)C(=O)O dna015 Cc1cccc2c1cc(cc2)O dna016 c1ccc2cc(c(cc2c1)C(=O)O)Cl dna017 CCOc1ccc(c2c1cccc2)C(=O)O dna018 c1ccc2c(c1)cc(cc2C(=O)O)O dna019 Cc1ccc2cccc(c2c1)c3ccccc3 dna020 c1cc(cc2c1ccc(c2)C=O)C=O dna021 Cc1c(ccc2c1cccc2)C#N dna022 c1ccc2c(c1)ccc(c2Br)C#N dna023 c1cc2ccc(cc2c(c1)O)S(=O)(=O)O dna024 c1ccc2c(c1)ccc(c2Br)N dna025 Cc1cccc2c1cccc2Br dna026 c1cc2cc(ccc2c(c1)S(=O)(=O)O)O dna027 Cc1c2ccccc2ccc1Cl dna028 Cc1c2ccccc2ccc1Br dna029 c1ccc2cc(c(cc2c1)C(=O)O)Br dna030 Cc1ccc2ccccc2c1S(=O)(=O)O dna031 c1cc2c(cccc2Cl)c(c1)O dna032 c1cc(c2cccc(c2c1)O)C#N dna033 c1cc2cccc(c2c(c1)Cl)Br dna034 CCOc1ccc(c2c1cccc2)Br dna035 c1ccc2c(c1)C(=O)CCC2=O dna036 c1ccc2cc(c(cc2c1)C#N)F dna037 c1ccc2cc(c(cc2c1)C=O)F dna038 c1ccc(cc1)c2cccc3c2cccc3c4ccccc4 dna039 c1cc2ccc(cc2c(c1)S(=O)(=O)O)Br dna040 c1ccc2c(c1)c(ccc2[N+](=O)[O-])C#N dna041 c1cc(c2cccc(c2c1)[N+](=O)[O-])C#N dna041a c1cc2cc(ccc2c(c1)[N+](=O)[O-])C#N dna042 c1cc2ccc(cc2c(c1)[N+](=O)[O-])C#N dna043 c1ccc(cc1)c2ccc3ccccc3c2N dna044 c1ccc2c(c1)ccc(c2F)C#N dna045 Cc1ccc(c2c1cccc2)OC dna046 c1cc2ccc(cc2c(c1)[N+](=O)[O-])[N+](=O)[O-] dna047 c1cc(cc2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-] dna048 c1ccc2c(c1)cc(cc2N)N dna049 Cc1ccc2c(c1)cccc2OC dna050 Cc1ccc2c(c1)cccc2O dna051 c1ccc2c(c1)ccc(c2[N+](=O)[O-])[N+](=O)[O-] dna052 c1ccc(cc1)c2cccc3c2c(ccc3)I dna053 c1ccc2c(c1)ccc(c2C=O)Cl dna054 Cc1cc(cc2c1cccc2)O dna055 Cc1ccc2cc(ccc2c1)OC dna056 CCOc1ccc(c2c1cccc2)OCC dna057 CCOc1ccc(c2c1cccc2)O dna058 COc1ccc2cccc(c2c1)c3ccccc3 dna059 c1ccc(cc1)c2cccc3c2cc(cc3)Cl dna060 c1ccc(cc1)c2cccc3c2cc(cc3)C#N dna061 COc1ccc2c(c1)cccc2c3ccccc3 dna062 c1ccc2c(c1)ccc(c2C#N)[N+](=O)[O-] dna063 c1ccc2cc(c(cc2c1)C#N)N dna064 COc1ccc2ccccc2c1F dna065 c1cc2ccc(cc2c(c1)Br)Cl dna066 Cc1ccc2c(c1)cccc2c3ccccc3 dna067 Cc1cc2ccccc2c(c1)c3ccccc3 dna068 Cc1ccc2cc(ccc2c1)c3ccccc3 dna069 Cc1ccc2ccc(cc2c1)c3ccccc3 dna070 c1ccc(cc1)c2c3ccccc3ccc2N dna071 Cc1ccc2ccc(cc2c1)F dna072 c1cc2ccc(cc2c(c1)Cl)O dna073 c1cc2ccc(cc2c(c1)I)O dna074 c1ccc(cc1)c2cc3ccccc3cc2O dna075 COc1cccc2c1ccc(c2)[N+](=O)[O-] dna076 COc1ccc2ccc(cc2c1)[N+](=O)[O-] dna077 c1ccc2c(c1)cc(cc2C(=O)O)N dna078 c1cc2cc(ccc2c(c1)C(=O)O)N dna079 c1ccc2cc(c(cc2c1)[N+](=O)[O-])O dna080 Cc1cccc2c1c(ccc2)O dna081 Cc1cccc2c1cc(cc2)Br dna082 Cc1cccc2c1c(ccc2)Br dna083 COc1cccc2c1cc(cc2)Br dna084 c1ccc(cc1)c2ccc(c3c2cccc3)[N+](=O)[O-] dna085 c1ccc2c(c1)ccc(c2C#N)F dna086 c1cc2cccc(c2c(c1)C#N)F dna087 Cc1ccc2cccc(c2c1)C(=O)O dna088 c1ccc2c(c1)c(ccc2O)C#N dna089 c1cc2cccc(c2c(c1)C=O)O dna090 COc1cccc2c1c(ccc2)C=O dna091 Cc1c(ccc2c1cccc2)C=O dna092 Cc1c2ccccc2ccc1I dna093 c1ccc2c(c1)c(ccc2I)I dna094 c1cc(cc2c1cc(cc2)I)I dna095 Cc1ccc2ccccc2c1I dna096 Cc1cccc2c1ccc(c2)N dna097 Cc1ccc2cc(ccc2c1)Br dna098 Cc1ccc2cc(ccc2c1)N dna099 c1ccc2c(c1)cc(cc2[N+](=O)[O-])O dna100 COc1cc2ccccc2c(c1)[N+](=O)[O-] dna101 c1ccc2cc(c(cc2c1)[N+](=O)[O-])Cl dna102 c1cc2cc(ccc2c(c1)[N+](=O)[O-])Cl dna103 c1cc2cc(ccc2c(c1)O)[N+](=O)[O-] dna104 c1cc(cc2c1cc(cc2)O)[N+](=O)[O-] dna105 c1cc(cc2c1ccc(c2)O)[N+](=O)[O-] dna106 c1ccc2cc(c(cc2c1)N)Cl dna107 c1cc2cccc(c2c(c1)C#N)N dna108 Cc1ccc2cc(ccc2c1)C#N dna109 Cc1ccc2ccc(cc2c1)C#N dna110 Cc1ccc2cccc(c2c1)C#N dna111 Cc1cc2ccccc2cc1C(=O)O dna112 c1cc(cc2c1ccc(c2)Cl)O dna113 c1cc(cc2c1cc(cc2)Cl)O dna114 Cc1cccc2c1cccc2C#N dna115 Cc1cc(cc2c1cccc2)[N+](=O)[O-] dna116 Cc1cccc2c1cccc2OC dna117 COc1cccc2c1c(ccc2)Cl dna118 COc1c2ccccc2ccc1Cl dna119 CCOc1ccc(c2c1cccc2)Cl dna120 c1cc2cc(ccc2c(c1)C#N)C#N dna121 c1ccc2c(c1)c(ccc2S(=O)(=O)O)S(=O)(=O)O dna122 CCOc1cc2ccccc2cc1Br dna123 CCOc1ccc2ccccc2c1Br dna124 COc1c(ccc2c1cccc2)C=O dna125 Cc1cc2ccccc2c(c1)N dna126 c1cc2cc(ccc2c(c1)N)Cl dna127 COc1cc2ccccc2c(c1)N dna128 c1cc2ccc(cc2c(c1)N)Cl dna129 Cc1cccc2c1cccc2F dna130 c1ccc2c(c1)ccc(c2F)O dna131 c1cc2ccc(cc2c(c1)C(=O)O)Br dna132 COc1cccc2c1cc(cc2)[N+](=O)[O-] dna133 c1ccc2cc(c(cc2c1)C#N)O dna134 c1ccc2c(c1)ccc(c2Cl)C#N dna135 COc1c(ccc2c1cccc2)C#N dna136 Cc1ccc2ccc(cc2c1)C=O dna137 c1ccc2c(c1)c(ccc2Br)Cl dna138 c1ccc2c(c1)cc(cc2Cl)[N+](=O)[O-] dna139 c1cc2cc(ccc2c(c1)S(=O)(=O)O)[N+](=O)[O-] dna140 c1cc2ccc(cc2c(c1)S(=O)(=O)O)[N+](=O)[O-] dna141 CCOc1cccc2c1c(ccc2)C(=O)O dna142 CCOc1c2ccccc2ccc1C(=O)O dna143 c1ccc2cc(c(cc2c1)N)Br dna144 c1ccc2cc(c(cc2c1)C#N)Br dna145 Cc1ccc2cc(ccc2c1)[N+](=O)[O-] dna146 Cc1cc2ccccc2c(c1)Br dna147 Cc1ccc2c(c1)cccc2[N+](=O)[O-] dna148 Cc1ccc2cccc(c2c1)[N+](=O)[O-] dna149 c1cc2cccc(c2c(c1)C#N)O dna150 c1ccc(cc1)c2cccc3c2cc(cc3)C=O dna151 c1ccc(cc1)c2cccc3c2ccc(c3)C=O dna152 c1ccc(cc1)c2cccc3c2c(ccc3)C=O dna153 c1ccc2cc(c(cc2c1)O)Cl dna154 c1cc2ccc(cc2c(c1)O)Cl dna155 c1cc2cc(ccc2c(c1)O)Cl dna156 COc1cccc2c1ccc(c2)C=O dna157 c1cc2cc(ccc2c(c1)Cl)[N+](=O)[O-] dna158 c1cc(cc2c1cc(cc2)Cl)[N+](=O)[O-] dna159 c1cc(cc2c1ccc(c2)Cl)[N+](=O)[O-] dna160 c1ccc2c(c1)cc(cc2[N+](=O)[O-])Cl dna161 c1cc2cc(ccc2c(c1)Cl)C(=O)O dna162 c1cc(cc2c1cc(cc2)Br)S(=O)(=O)O dna163 COc1ccc2ccccc2c1OC dna164 COc1cc2ccccc2c(c1)O dna165 Cc1cc(cc2c1cccc2)OC dna166 c1cc2ccc(cc2c(c1)Br)Br dna167 c1ccc2c(c1)c(ccc2I)[N+](=O)[O-] dna168 c1cc(cc2c1cc(cc2)I)[N+](=O)[O-] dna169 c1cc(cc2c1ccc(c2)I)[N+](=O)[O-] dna170 c1cc(cc2c1ccc(c2)I)I dna171 COc1c2ccccc2ccc1c3ccccc3 dna172 c1ccc2c(c1)cc(cc2C=O)Cl dna173 c1cc2ccc(cc2c(c1)C(=O)O)Cl dna174 c1ccc2c(c1)ccc(c2C=O)[N+](=O)[O-] dna175 c1ccc2cc(c(cc2c1)F)Br dna176 c1cc2cc(ccc2c(c1)F)F dna177 c1cc(cc2c1cc(cc2)F)F dna178 Cc1cc(cc2c1cccc2)F dna179 Cc1cccc2c1ccc(c2)F dna180 c1cc(c2cccc(c2c1)F)C#N dna181 c1cc2cc(ccc2c(c1)C#N)F dna182 c1cc2cccc(c2c(c1)N)Cl dna183 COc1cc(cc2c1cccc2)c3ccccc3 dna184 COc1cccc2c1ccc(c2)c3ccccc3 dna185 COc1ccc2cc(ccc2c1)c3ccccc3 dna186 COc1ccc2ccc(cc2c1)c3ccccc3 dna187 c1cc2cc(ccc2c(c1)C(=O)O)I dna188 c1ccc(cc1)c2ccc(c3c2cccc3)Br dna189 Cc1cccc2c1c(ccc2)OC dna190 c1ccc(cc1)c2ccc3ccccc3c2O dna191 c1ccc(cc1)c2ccc3cc(ccc3c2)c4ccccc4 dna192 COc1cccc2c1cccc2I dna193 COc1cccc2c1cccc2Cl dna194 COc1cccc2c1cccc2F dna195 Cc1cc2ccccc2cc1OC dna196 COc1cccc2c1cccc2c3ccccc3 dna197 c1ccc(cc1)c2cccc3c2cccc3O dna198 COc1c2ccccc2ccc1Br dna199 c1cc2cccc(c2c(c1)O)Br dna200 CCOc1ccc(c2c1cccc2)C#N dna201 c1ccc2c(ccc(c2c1)C=O)C#N dna201a Cc1cc2ccccc2cc1Cl dna202 Cc1c2ccccc2ccc1[N+](=O)[O-] dna203 Cc1cccc2c1cc(cc2)C=O dna204 c1ccc2c(c1)c(ccc2I)Br dna205 Cc1cc2ccccc2c(c1)C=O dna206 Cc1ccc2c(c1)cccc2C=O dna207 Cc1ccc2cccc(c2c1)C=O dna208 COc1ccc2c(c1)cccc2I dna209 c1cc2cccc(c2c(c1)S(=O)(=O)O)Br dna210 c1ccc2c(c1)cc(cc2I)[N+](=O)[O-] dna211 c1cc2c(cccc2I)c(c1)[N+](=O)[O-] dna212 c1cc2cc(ccc2c(c1)I)I dna213 c1cc2cccc(c2c(c1)O)Cl dna214 CCOc1ccc2cc(ccc2c1)C#N dna215 COc1ccc2cccc(c2c1)I dna216 c1ccc(cc1)c2ccc3ccccc3c2C#N dna217 Cc1cccc2c1ccc(c2)O dna218 c1cc2c(cccc2I)c(c1)N dna219 c1ccc(cc1)c2c3ccccc3ccc2Cl dna220 c1ccc2c(c1)ccc(c2O)C#N dna221 COc1cc2ccccc2cc1N dna222 Cc1cccc2c1cc(cc2)C#N dna223 c1cc2cc(ccc2c(c1)Br)[N+](=O)[O-] dna224 c1cc(cc2c1cc(cc2)Br)[N+](=O)[O-] dna225 COc1ccc2cc(ccc2c1)Cl dna226 COc1ccc2cc(ccc2c1)I dna227 Cc1ccc2c(c1)cccc2Br dna228 c1ccc(cc1)c2cc3ccccc3cc2C#N dna229 Cc1cccc2c1cccc2S(=O)(=O)O dna230 CCOc1ccc(c2c1cccc2)N dna231 CCOc1cccc2c1cccc2Br dna232 CCOc1cccc2c1cccc2Cl dna233 Cc1ccc2cccc(c2c1)I dna234 c1cc2ccc(cc2c(c1)I)Cl dna235 Cc1ccc(c2c1cccc2)I dna236 c1ccc(cc1)c2cc3ccccc3cc2c4ccccc4 dna237 Cc1ccc2c(c1)cccc2F dna238 c1cc2cc(ccc2c(c1)F)C=O dna239 CCOc1cc2ccccc2cc1OCC dna240 CCOc1ccc2ccc(cc2c1)OCC dna241 Cc1cccc2c1c(ccc2)C#N dna242 Cc1cc2ccccc2c(c1)C#N dna243 Cc1ccc2c(c1)cccc2C#N dna244 c1ccc2c(c1)ccc(c2Br)Cl dna245 c1ccc2cc(c(cc2c1)Cl)Br dna246 Cc1ccc2cccc(c2c1)Cl dna247 CCOc1cc(c2ccccc2c1)C dna248 COc1ccc(c2c1cccc2)c3ccccc3 dna249 c1cc(c2cccc(c2c1)Cl)C#N dna250 c1cc2cc(ccc2c(c1)Cl)C#N dna251 c1cc2ccc(cc2c(c1)Cl)C#N dna252 c1cc2cccc(c2c(c1)C#N)Cl dna253 c1cc2cc(ccc2c(c1)N)C#N dna254 c1cc2ccc(cc2c(c1)N)C#N dna255 c1ccc2cc(c(cc2c1)C(=O)O)[N+](=O)[O-] dna256 c1ccc2cc(c(cc2c1)C=O)[N+](=O)[O-] dna257 CCOc1ccc2ccccc2c1O dna258 c1ccc(cc1)c2ccc3ccccc3c2[N+](=O)[O-] dna259 c1ccc2c(c1)cc(cc2Br)N dna260 COc1cccc2c1cccc2Br dna261 c1ccc(cc1)c2cc3ccccc3cc2Cl dna262 c1ccc2c(c1)cc(cc2Cl)O dna263 COc1ccc2ccccc2c1c3ccccc3 dna264 C[Sn](C)(C)c1ccc(c2c1cccc2)[Sn](C)(C)C dna265 c1cc2c(cccc2I)c(c1)Br dna266 c1cc2c(cccc2Br)c(c1)Cl dna267 CCOc1ccc2ccccc2c1F dna268 c1ccc2c(c1)ccc(c2C(=O)O)N dna269 c1ccc2c(c1)cc(cc2C#N)Br dna270 c1ccc2cc(c(cc2c1)C=O)Cl dna271 c1cc2ccc(cc2c(c1)C=O)F dna272 Cc1cccc2c1c(ccc2)Cl dna273 c1ccc(cc1)c2c3ccccc3ccc2C(=O)O dna274 c1cc2cccc(c2c(c1)C=O)Br dna275 c1cc2cccc(c2c(c1)C=O)I dna276 CCOc1ccc2ccccc2c1Cl dna277 c1cc2cc(ccc2c(c1)C=O)Br dna278 Cc1cccc2c1ccc(c2)Br dna279 c1ccc(cc1)c2ccc(c3c2cccc3)N dna280 COc1c2ccccc2ccc1F dna281 c1ccc2cc(c(cc2c1)C=O)Br dna282 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)O dna283 Cc1cccc2c1c(ccc2)[N+](=O)[O-] dna284 c1ccc2c(c1)cc(cc2N)Br dna285 c1ccc2c(c1)cc(cc2O)Br dna286 c1ccc2c(c1)cc(cc2N)Cl dna287 c1ccc2c(c1)cc(cc2Cl)N dna288 c1cc(cc2c1ccc(c2)Cl)N dna289 c1ccc2c(c1)cc(cc2O)I dna290 c1ccc2c(c1)cc(cc2I)O dna291 c1ccc2c(c1)cc(cc2N)I dna292 c1ccc2c(c1)cc(cc2I)N dna293 c1ccc2c(c1)cc(cc2O)N dna294 c1ccc2c(c1)cc(cc2N)O dna295 c1cc2ccc(cc2c(c1)Cl)Br dna296 c1ccc2c(c1)ccc(c2Br)I dna297 c1cc2ccc(cc2c(c1)Br)[N+](=O)[O-] dna298 c1ccc2c(c1)cc(cc2C(=O)O)I dna299 c1ccc2c(c1)c(ccc2I)C(=O)O dna300 c1cc2c(cccc2I)c(c1)C(=O)O dna301 c1ccc2c(c1)ccc(c2I)C(=O)O dna302 c1ccc2c(c1)cc(cc2C#N)O dna303 c1ccc2c(c1)ccc(c2C(=O)O)[N+](=O)[O-] dna304 COc1cccc2c1cc(cc2)Cl dna305 c1cc2cc(ccc2c(c1)C#N)Br dna306 c1cc2cc(ccc2cc1C#N)Br dna307 c1ccc2c(c1)cc(cc2C#N)N dna308 c1cc2cc(ccc2c(c1)C#N)N dna309 c1ccc2c(c1)cc(cc2N)C#N dna310 c1ccc2c(c1)cc(cc2C=O)O dna311 Cc1ccc2ccc(cc2c1)[N+](=O)[O-] dna312 COc1cc2ccccc2cc1[N+](=O)[O-] dna313 c1cc2cc(ccc2c(c1)O)Br dna314 c1cc2ccc(cc2c(c1)O)Br dna315 Cc1ccc2cccc(c2c1)S(=O)(=O)O dna316 CCOc1ccc(c2c1cccc2)[N+](=O)[O-] dna317 COc1ccc2ccc(cc2c1)N dna318 COc1cccc2c1cc(cc2)N dna319 c1ccc(cc1)c2cc3ccccc3c(c2)C(=O)O dna320 COc1cc2ccccc2cc1C#N dna321 c1ccc2c(c1)c(ccc2Br)C#N dna322 c1ccc(cc1)c2c3ccccc3ccc2Br dna323 COc1cc2ccccc2c(c1)Cl dna324 c1ccc(cc1)c2ccc(c3c2cccc3)C(=O)O dna325 c1cc2ccc(cc2c(c1)C#N)C#N dna326 c1cc(cc2c1cc(cc2)I)O dna327 c1cc2cc(ccc2c(c1)I)C(=O)O dna328 c1cc2cc(ccc2c(c1)N)C(=O)O dna329 CCOc1ccc2ccccc2c1C dna330 c1cc(cc2c1ccc(c2)Br)[N+](=O)[O-] dna331 c1ccc2c(c1)cc(cc2[N+](=O)[O-])Br dna332 c1cc2cc(ccc2c(c1)[N+](=O)[O-])Br dna333 c1cc2ccc(cc2c(c1)[N+](=O)[O-])Br dna334 c1cc2ccc(cc2c(c1)Cl)[N+](=O)[O-] dna335 c1ccc2c(c1)ccc(c2I)[N+](=O)[O-] dna336 c1ccc2c(c1)cc(cc2I)I dna337 Cc1cc(cc2c1cccc2)C=O dna338 Cc1cccc2c1ccc(c2)C=O dna339 c1cc2cc(ccc2c(c1)C=O)C=O dna340 c1cc2ccc(cc2c(c1)C=O)C=O dna341 c1cc2cc(ccc2c(c1)S(=O)(=O)O)Cl dna342 c1cc(cc2c1ccc(c2)Cl)S(=O)(=O)O dna343 Cc1cccc2c1cccc2N dna344 c1ccc2c(c1)ccc(c2S(=O)(=O)O)Cl dna345 c1ccc2c(c1)cc(cc2C=O)C=O dna346 c1ccc2cc(c(cc2c1)O)I dna347 c1cc2cc(ccc2c(c1)Cl)N dna348 COc1cccc2c1c(ccc2)c3ccccc3 dna349 c1ccc(cc1)c2ccc3cc(ccc3c2)[N+](=O)[O-] dna350 c1ccc2c(c1)ccc(c2C#N)I dna351 CCOc1ccc2ccccc2c1I dna352 CCOc1ccc(c2c1cccc2)I dna353 Cc1cccc2c1cccc2C=O dna354 Cc1cc(cc2c1cccc2)Cl dna355 Cc1cccc2c1ccc(c2)[N+](=O)[O-] dna356 CCOc1ccc2cc(ccc2c1)OCC dna357 c1ccc(cc1)c2ccc3ccccc3c2C(=O)O dna358 c1ccc2c(c1)ccc(c2C#N)Cl dna359 Cc1cccc2c1cccc2Cl dna360 Cc1ccc2c(c1)cccc2Cl dna361 Cc1cc(cc2c1cccc2)Br dna362 Cc1cc(cc2c1cccc2)C#N dna363 c1ccc2c(c1)c(ccc2I)O dna364 c1ccc(cc1)c2cc3ccccc3c(c2)N dna365 c1cc2cc(ccc2c(c1)Br)N dna366 Cc1cccc2c1cc(cc2)[N+](=O)[O-] dna367 c1cc2ccc(cc2c(c1)C(=O)O)N dna368 CCOc1ccc2cc(ccc2c1)C dna369 Cc1ccc2c(c1)cccc2N dna370 Cc1ccc2ccc(cc2c1)N dna371 Cc1cccc2c1cc(cc2)N dna372 c1cc2cc(ccc2c(c1)Br)O dna373 c1ccc2cc(c(cc2c1)N)I dna374 c1cc2cc(ccc2c(c1)Cl)O dna375 CCOc1cccc2c1cccc2O dna376 c1cc2cc(ccc2c(c1)Cl)C=O dna377 COc1cc(cc2c1cccc2)C=O dna378 c1ccc(cc1)c2c(ccc3c2cccc3)C=O dna379 c1ccc2c(c1)ccc(c2C#N)C(=O)O dna380 COc1cccc2c1ccc(c2)I dna381 c1cc(cc2c1ccc(c2)I)O dna382 c1cc2cc(ccc2c(c1)O)I dna383 c1cc2cc(ccc2c(c1)I)O dna384 c1cc(c2cccc(c2c1)Br)C#N dna385 c1cc2cc(ccc2cc1C#N)N dna386 c1cc(cc2c1ccc(c2)N)C#N dna387 c1ccc(cc1)c2cccc3c2c(ccc3)O dna388 c1cc2cccc(c2c(c1)C=O)Cl dna389 c1cc2cc(ccc2c(c1)C#N)O dna390 Cc1cccc2c1c(ccc2)N dna391 c1ccc(cc1)c2cccc3c2c(ccc3)C(=O)O dna392 c1cc2cc(ccc2c(c1)N)I dna393 c1ccc(cc1)c2ccc(c3c2cccc3)C=O dna394 c1ccc(cc1)c2cc3ccccc3c(c2)C#N dna395 COc1cccc2c1cccc2C=O dna396 COc1cccc2c1cc(cc2)C=O dna397 c1cc2ccc(cc2c(c1)N)Br dna398 c1ccc(cc1)c2ccc3ccccc3c2C=O dna399 c1ccc2c(c1)ccc(c2C#N)Br dna400 c1ccc2c(c1)c(ccc2I)C#N dna401 Cc1ccc2c(c1)cccc2I dna402 c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)O dna403 c1cc2ccc(cc2c(c1)C=O)O dna404 c1cc(c2cccc(c2c1)O)C=O dna405 COc1cc2ccccc2c(c1)C#N dna406 COc1cc2ccccc2c(c1)C(=O)O dna407 COc1cc(cc2c1cccc2)I dna408 Cc1ccc2ccc(cc2c1)Cl dna409 COc1cccc2c1ccc(c2)O dna410 CCOc1ccc2cc(ccc2c1)O dna411 c1cc(c2cccc(c2c1)Cl)C=O dna412 COc1c2ccccc2ccc1I dna413 c1ccc2cc(c(cc2c1)C=O)N dna414 c1ccc(cc1)c2cccc3c2ccc(c3)O dna415 c1ccc2c(c1)ccc(c2S(=O)(=O)O)I dna416 c1cc2cccc(c2c(c1)C#N)I dna417 c1cc(c2cccc(c2c1)C#N)C=O dna418 COc1ccc2cccc(c2c1)C#N dna419 COc1ccc2cccc(c2c1)C=O dna420 c1cc2c(cccc2I)c(c1)Cl dna421 c1ccc2c(c1)c(ccc2Br)S(=O)(=O)O dna422 c1ccc2c(c1)c(ccc2I)S(=O)(=O)O dna423 c1cc2c(cccc2Br)c(c1)S(=O)(=O)O dna424 c1cc2ccc(cc2c(c1)C#N)C=O dna425 CCOc1c2ccccc2ccc1N dna426 c1ccc(cc1)c2ccc(c3c2cccc3)S(=O)(=O)O dna427 Cc1cc2ccccc2cc1C#N dna428 c1ccc2c(c1)ccc(c2N)C=O dna429 c1cc2cc(ccc2c(c1)Br)S(=O)(=O)O dna430 c1ccc(cc1)c2cccc3c2cccc3C(=O)O dna431 Cc1ccc2ccc(cc2c1)Br dna432 Cc1cccc2c1c(ccc2)I dna433 COc1ccc2ccc(cc2c1)Br dna434 c1ccc2c(c1)c(ccc2C(=O)O)C=O dna435 c1ccc(cc1)c2cc(cc3c2cccc3)N dna436 c1ccc(cc1)c2ccc3ccc(cc3c2)C(=O)O dna437 c1ccc2c(c1)ccc(c2C=O)Br dna438 c1ccc2c(c1)cc(cc2O)C#N dna439 c1ccc2c(c1)cc(cc2O)C=O dna440 c1ccc2c(c1)cc(cc2C=O)Br dna441 c1cc(cc2c1ccc(c2)Br)Cl dna442 c1ccc2c(c1)cc(cc2Cl)Br dna443 c1ccc2cc(c(cc2c1)N)F dna444 c1ccc(cc1)c2ccc3cc(ccc3c2)C#N dna445 c1ccc2c(c1)ccc(c2I)C=O dna446 c1cc2cccc(c2c(c1)O)F dna447 c1cc(cc2c1cc(cc2)I)Br dna448 c1ccc2c(c1)ccc(c2S(=O)(=O)O)C#N dna449 c1ccc2c(c1)ccc(c2C#N)S(=O)(=O)O dna450 c1cc2ccc(cc2c(c1)O)C#N dna451 c1ccc2c(c1)cc(cc2Br)C#N dna452 c1cc2cc(ccc2c(c1)Br)C#N dna453 c1cc2cc(ccc2c(c1)C=O)O dna454 c1cc(cc2c1ccc(c2)Br)N dna455 c1cc2cc(ccc2c(c1)N)Br dna456 c1ccc(cc1)c2cc3ccccc3cc2Br dna457 CCOc1ccc2cccc(c2c1)N dna458 CCOc1ccc2ccc(cc2c1)Br dna459 c1cc(cc2c1ccc(c2)Br)F dna460 CCOc1cccc2c1ccc(c2)O dna461 c1ccc(cc1)c2cccc3c2cccc3N dna462 c1ccc2c(c1)ccc(c2I)Br dna463 c1ccc2c(c1)ccc(c2N)I dna464 Cc1cccc2c1cc(cc2)Cl dna465 c1ccc2c(c1)cc(cc2[N+](=O)[O-])I dna466 Cc1cccc2c1cc(cc2)S(=O)(=O)O dna467 c1ccc2c(c1)ccc(c2Cl)Br dna468 c1ccc2c(c1)ccc(c2Cl)I dna469 c1ccc(cc1)c2cccc3c2cccc3C=O dna470 c1cc2cc(ccc2cc1C=O)F dna471 c1cc2ccc(cc2c(c1)Br)S(=O)(=O)O dna472 c1cc2cc(ccc2c(c1)F)O dna473 CCOc1ccc2cc(ccc2c1)C=O dna474 COc1cc2ccccc2cc1I dna475 c1cc2cc(ccc2c(c1)O)F dna476 c1cc2ccc(cc2c(c1)Cl)N dna477 c1ccc(cc1)c2ccc3cc(ccc3c2)C(=O)O dna478 COc1cc2ccccc2c(c1)C=O dna479 c1cc(cc2c1ccc(c2)I)Cl dna480 c1cc(cc2c1cc(cc2)Br)Cl dna481 COc1ccc2c(c1)cccc2Cl dna482 c1cc(cc2c1ccc(c2)F)O dna483 c1cc2ccc(cc2c(c1)Cl)C=O dna484 c1cc2cc(ccc2c(c1)Cl)F dna485 c1ccc(cc1)c2cccc3c2cccc3Br dna486 c1ccc(cc1)c2cccc3c2c(ccc3)Cl dna487 c1ccc(cc1)c2cc(cc3c2cccc3)C=O dna488 c1ccc(cc1)c2ccc3ccc(cc3c2)Br dna489 c1ccc(cc1)c2cccc3c2c(ccc3)C#N dna490 c1ccc(cc1)c2cccc3c2ccc(c3)Cl dna491 CCOC(=O)c1cnc2c(c1O)ccc(n2)Cl cdp194fp2vp1 c1cc(nc2c1c(c(cn2)C(=O)O)O)Cl cdp194fp2vp2 c1cc(nc2c1c(ccn2)O)Cl cdp194fp2vp3 COc1ccc2c(ccnc2n1)O cdp194fp2vp3de1 c1cc(nc2c1c(ccn2)O)F cdp194fp2vp3de2 c1cc(nc2c1c(ccn2)O)Br cdp194fp2vp3de3 c1cnc2c(c1O)cc(cn2)Cl cdp194fp2vp3de4 C/C(=C\CC/C(=C/CO)/C)/CCC1C(O1)(C)C bio001 c1ccc(cc1)COC(=O)CCC(=O)Cl bio002 CN[C@@H](Cc1ccccc1)C(=O)N bio003 C1CCC2(CC1)CCC(=O)C=C2 bio004 c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](O2)Br)F)OC(=O)c3ccccc3 bio005 c1ccc2c(c1)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O bio006 c1ccn(c(=O)c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O bio007 c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O bio009 CCCCCC(=N)OCC bio010 CCOC(=O)/C(=N/Nc1ccccc1)/C(=O)C bio011 CC(=O)NCCSC(=O)c1ccccc1 bio012 c1ccc(cc1)c2ccc(cc2)Cn3ccnc3 bio013 COC(=O)COc1ccc(cc1)S(=O)(=O)N bio014 c1ccc(c(c1)C(=O)ON2C(=O)CCC2=O)O bio015 c1cc(ccc1CCNC(=O)C(F)(F)F)I bio016 c1cc(ccc1C(=O)Cl)S(=O)(=O)c2ccc(cc2)C(=O)Cl bio017 c1ccc(cc1)CCCCCCCI bio018 C(CNC(=O)CBr)NC(=O)CBr bio019 CCCCCCCCCC(=O)N[C@H]1CCOC1=O bio020 COC(=O)COC1CCCCO1 bio021 C1CNCCNCCN1.[Zn] bio022 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)I)C(=O)OCc2ccccc2 bio023 CS(=O)c1ccc(cc1)CO bio024 CS(=O)c1ccc(cc1)C=O bio025 CS(=O)c1ccncc1 bio026 c1cc(c(cc1O)O)S bio027 COC1=C/C(=C\2/C=CC(=O)C(=C2)OC)/C=CC1=O bio028 CC(=O)N[C@@H](Cc1ccc(c(c1)[N+](=O)[O-])O)C(=O)O bio029 CC(=O)CC(=O)C(=O)O bio030 CCOP(=O)(CC(C)C)OCC bio031 CCCCCCCCCCCC#CCO bio032 Cc1ccc(cc1)S(=O)(=O)C2=CC3C=CC2N3C(=O)OC(C)(C)C bio033 C(C(=O)NO)Cl bio034 CC(=O)c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)C bio035 CCC1=C(C(=O)c2ccccc2C1=O)C bio036 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC(=O)O bio038 C(CC(=O)O)[C@@H](C(=O)O)NC=O bio039 Cc1nc2ccc(cc2c(=O)o1)I jmc001 c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCCCN jmc002 Cc1ccc(cc1)OP(=O)(Cl)Cl jmc003 Cc1nc2cc(ccc2c(=O)o1)Cl jmc004 CC(C)C(C(C)(C)C=O)O jmc005 CC1=CC2CC(C1)CC(=O)C2 jmc006 CC1CCCC=C1OS(=O)(=O)C(F)(F)F jmc007 CN1CCN(CC1)C2CCC(=O)CC2 jmc008 C1C2CC3CC(C2)(CC1C3=O)F jmc009 CN/N=C/c1ccccc1 jmc010 c1ccc(cc1)OS(=O)(=O)N jmc011 CC(C)(C)OC(=O)NCC#CCCl jmc012 c1ccc(cc1)CC(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] jmc013 C1CCN(C1)C(=S)SSC(=S)N2CCCC2 jmc014 C1CCCC(=O)OC(=O)CC1 jmc015 Cc1ccnc2c1cccc2OC jmc016 CCN(CC)c1ccc2c(cc(=O)oc2c1)CO bio040 CCOP(=O)(OCC)Oc1cccc(c1)[N+](=O)[O-] bio041 CCOP(=O)(OCC)Oc1ccc(cc1)Cl bio042 CCCCCCC(=O)CO bio044 c1ccc(cc1)NC2CC2 bio045 C/C(=C/CC(=O)O)/Cl bio046 c1ccc(cc1)C(=O)CC(C(=O)O)N bio047 c1ccc2c(c1)cccc2C(C(=O)O)O bio048 c1ccc2cc(ccc2c1)C(C(=O)O)O bio049 C(#CBr)C(=O)O bio051 CC1=C(C(=O)c2ccccc2C1=O)SCCO bio053 COC(=O)C1COC(=N1)c2ccccc2 bio054 c1ccc(cc1)CNC(=O)CC(=O)O bio055 c1ccc(cc1)C2(CCC3(CC2)OCCO3)C#N bio056 CN(C)C(=O)Nc1ccc(c(c1)Cl)O bio057 c1cc(c(cc1C#N)C(=O)O)O bio058 c1cc(ncc1O)CC(C(=O)O)N bio059 c1ccc(cc1)COCCCI bio060 c1ccc(cc1)COCCCCI bio061 COP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-] bio062 CC(C)(C)N1C(O1)c2ccccc2 tox001 c1cc(ccc1c2ccc(c(c2)O)O)Cl tox002 c1c(cc(c(c1Br)Oc2c(c(c(c(c2Br)Br)Br)Br)Br)Br)Br tox003 c1cn2c(c1CO)C(CC2)O tox004 c1cc(cnc1)/C(=N/OCC(CN2CCCCC2)O)/Cl tox005 CC(=CCc1c(cc2c(c1O)c(=O)cc(o2)c3ccc(cc3O)O)O)C tox006 c1c(c2c(cc(c(c2c(c1Cl)Cl)Cl)Cl)Cl)Cl tox007 c1c2cc(c(c(c2c(c(c1Cl)Cl)Cl)Cl)Cl)Cl tox008 COc1cc(cc(c1O)O)CC=C tox009 c1cc(ncc1CN2CCN=C2N)Cl tox010 CCCC12COC(OC1)(OC2)c3ccc(cc3)C#C tox011 c1ccc2c(c1)ccc3c2ncc4c3cccc4 tox012 C(=C/C=O)\C=C\C=O tox013 Cc1c2ccccc2c(c3c1c4ccccc4cc3)CO tox014 CC(=O)O/C=C/c1ccccc1 tox015 Cc1ccc2c(c1)CCC(C2)(C)C tox016 C1C(O1)C(CO)O tox017 CC(C)(c1ccc(c(c1)Br)O)c2ccc(c(c2)Br)O che001 c1c(cc(c(c1Br)Br)Br)Oc2c(cc(c(c2Br)Br)Br)Br che002 CC(C)(CO)OC che003 c1ccc(cc1)Oc2ccc(c(c2)Br)Br che004 c1ccc(cc1)Oc2c(cc(cc2Br)Br)Br che005 c1ccc(c(c1)Oc2ccc(cc2)Br)Br che006 c1cc(cc(c1)Br)Oc2cccc(c2)Br che007 c1ccc(c(c1)CC(=O)O)Nc2c(ccc(c2Cl)O)Cl che008 CC1CC2C(C2(C)C)C=C1 che009 c1cc(ccc1C(=O)NNC(=O)c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] wh157 c1cc(cc(c1)Cl)C(=O)NNC(=O)c2cccc(c2)Cl wh158 Cc1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)C wh159 COc1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)OC wh160 c1ccc(cc1)NC(=O)N2CC2 az001 c1cc(ccc1C=O)N2CC2 az002 c1c(c(c(c(c1F)F)N2CC2)F)F az003 COC(=O)CN1CC1 az004 CCOC(=O)N1CC1 az005 c1ccc(cc1)C(=O)N2CC2 az006 C1CN1CCCO az007 CN(C)C(N1CC1)N2CC2 az008 C1CN1CO az009 C1CN1Cl az010 C1CN1c2nc(nc(n2)N3CC3)N4CC4 az011 c1ccc(cc1)c2cccc(n2)S(=O)(=O)O cdp199de1 c1ccc(cc1)c2ccnc(c2)S(=O)(=O)O cdp199de2 CCOC(=O)C1C(C1(C)C)/C=C(\C)/C=O a047vp1 CCOC(=O)C1C(C1(C)C)/C=C(\C)/C(=O)OCC a047vp2 C1CCC(C1)CC2(CCC2)C(=O)O cic048fp4de1 c1ccc(cc1)CC2(CCC2)C(=O)O cic048fp4de2 CC1(CCC1)C(=O)O cic048fp4de3 CCC1(CCC1)C(=O)O cic048fp4de4 CCCC1(CCC1)C(=O)O cic048fp4de5 CC(C)CC1(CCC1)C(=O)O cic048fp4de6 CC(C)(C)CC1(CCC1)C(=O)O cic048fp4de7 c1ccc(cc1)C(CC2CCCC2)C(=O)O cic048fp4de8 c1ccc(cc1)C(CC2CC2)C(=O)O cic048fp4de9 C1CC1CC2(CC2)C(=O)O cic048fp4de10 C1CCC(C1)CC2(CC2)C(=O)O cic048fp4de11 c1ccc(cc1)CC2(CC2)C(=O)O cic048fp4de12 CCC1(CC1)C(=O)O cic048fp4de13 C1CCC(C1)(CC2CC2)C(=O)O cic048fp4de14 C1CCC(C1)CC2(CCCC2)C(=O)O cic048fp4de15 c1ccc(cc1)CC2(CCCC2)C(=O)O cic048fp4de16 CCC1(CCCC1)C(=O)O cic048fp4de17 C1CCC(CC1)(CC2CC2)C(=O)O cic048fp4de18 C1CCC(CC1)(CC2CCCC2)C(=O)O cic048fp4de19 c1ccc(cc1)CC2(CCCCC2)C(=O)O cic048fp4de20 CCC1(CCCCC1)C(=O)O cic048fp4de21 CC(CC1CC1)C(=O)O cic048fp4de22 CC(CC1CCCC1)C(=O)O cic048fp4de23 CC(C)(CC1CC1)C(=O)O cic048fp4de24 CC(C)(CC1CCCC1)C(=O)O cic048fp4de25 CC(C)(Cc1ccccc1)C(=O)O cic048fp4de26 c1cc(nc(c1Cl)N)N cdp104fp6de1 c1c(c(nc(c1Cl)N)N)Cl cdp104fp6de2 c1c(c(nc(c1Br)N)N)Br cdp104fp6de3 c1c(cnc(c1N)N)[N+](=O)[O-] cdp104fp6de4 c1c(c(cnc1N)Br)N cdp104fp6de5 c1c(cnc(c1Cl)N)F cdp104fp6de6 c1c(c(nc(c1Cl)F)N)Cl cdp104fp6de7 c1cc(nc(c1Br)F)N cdp104fp6de8 c1c(c(nc(c1Br)F)N)Br cdp104fp6de9 c1cc(nc(c1[N+](=O)[O-])F)N cdp104fp6de10 CCOC(=O)c1c(c(nnc1Cl)c2ccccc2)c3ccccc3 wh161 c1ccc(cc1)c2c3c(nc(oc3=O)c4ccccc4)on2 wh162 CC1=NN(C(=O)C1CCO)c2ccccc2.Cl wh163 c1ccc2c(c1)c(cc(=O)o2)N wh164 Cc1cc(nc(c1Cl)N)C cdp104fp6de11 Cc1c(c(nc(c1Cl)N)C)Cl cdp104fp6de12 Cc1cc(nc(c1Br)N)C cdp104fp6de13 Cc1cc(nc(c1[N+](=O)[O-])N)C cdp104fp6de14 Cc1cc(nc(c1[N+](=O)[O-])C)N cdp104fp6de15 COc1c(cnc(c1Cl)N)Cl cdp104fp6de16 COc1c(cnc(c1Br)N)Br cdp104fp6de17 c1cc(nc(c1Cl)N)[N+](=O)[O-] cdp104fp6de18 c1cc(nc(c1Br)N)[N+](=O)[O-] cdp104fp6de19 c1c(cnc(c1O)N)[N+](=O)[O-] cdp104fp6de20 COc1c(cc(c(n1)N)Cl)Cl cdp104fp6de21 COc1ccc(c(n1)N)Br cdp104fp6de22 COc1c(ccc(n1)N)Br cdp104fp6de23 COc1c(cc(c(n1)N)Br)Br cdp104fp6de24 COc1c(ccc(n1)N)[N+](=O)[O-] cdp104fp6de25 c1c(c(nc(c1Br)Br)N)Br cdp104fp6de26 c1cc(nc(c1Cl)N)C(=O)O cdp104fp6de27 c1cc(nc(c1Br)N)C(=O)O cdp104fp6de28 c1cnc(c(c1O)Cl)N cdp104fp6de29 c1c(c(c(c(n1)N)Cl)O)Cl cdp104fp6de30 c1cnc(c(c1O)Br)N cdp104fp6de31 c1c(c(cnc1N)Br)O cdp104fp6de32 c1c(c(c(c(n1)N)Br)O)Br cdp104fp6de33 c1cnc(c(c1O)[N+](=O)[O-])N cdp104fp6de34 c1c(c(cnc1N)[N+](=O)[O-])O cdp104fp6de35 c1c(c(nc(c1Cl)Cl)N)Cl cdp104fp6de36 c1c(c(nc(c1Br)Cl)N)Br cdp104fp6de38 c1c(c(c(c(n1)N)Br)Br)Br cdp104fp6de39 c1ccc(cc1)COc2cccc3c2[nH]cc3CC(=O)N vk081lit1 c1ccc(cc1)COc2cccc3c2[nH]cc3CCN vk081lit2 CN(C)Cc1c[nH]c2c1c(ccc2)OCc3ccccc3 vk081de2 c1ccc(cc1)COc2cccc3c2c(c[nH]3)CC(C(=O)O)N vk081de3 c1cc2c(c(c1)O)c(c[nH]2)CC(C(=O)O)N vk081de4 CN(C)Cc1c[nH]c2c1ccc(c2)OCc3ccccc3 vk081de5 c1ccc(cc1)COc2ccc3c(c2)[nH]cc3CC(C(=O)O)N vk081de6 c1cc2c(cc1O)[nH]cc2CC(C(=O)O)N vk081de7 Cc1c(c(c(cn1)[N+](=O)[O-])O)[N+](=O)[O-] cdp316fp10np1 Cc1ccccc1C(=S)SCc2ccccc2 a251lit1 Cc1ccc(cc1)C(=S)SCc2ccccc2 a251lit2 COc1ccc(cc1)C(=S)SCc2ccccc2 a251lit3 c1ccc(cc1)CSC(=S)c2cccc(c2)F a251lit4 c1ccc(cc1)CSC(=S)c2ccc(cc2)F a251lit5 c1ccc(cc1)CSC(=S)c2ccc(cc2)Cl a251lit6 c1ccc(cc1)CSC(=S)c2ccc(cc2)Br a251lit7 c1ccc(cc1)CSC(=S)c2ccc(cc2)I a251lit8 c1ccc(cc1)CSC(=S)c2cccc(c2)[N+](=O)[O-] a251lit9 c1ccc(cc1)CSC(=S)c2ccc(cc2)[N+](=O)[O-] a251lit10 c1ccc(cc1)CSC(=S)c2ccc(cc2)C#N a251lit11 CCCSC(=S)c1ccccc1 a251lit12 c1ccc(cc1)C(=S)Sc2ccccc2 a251lit13 CC(C)(C)OC(=O)N1CCC(CC1)NCC2CCCC2 a076fp1 c1ccc(cc1)S(=NS(=O)(=O)c2ccccc2)(=O)C(c3ccc(cc3)Br)F ud001 c1ccc(cc1)S(=NS(=O)(=O)c2ccccc2)(=O)C(c3ccccc3Br)F ud002 Cc1ccc(cc1)C(F)S(=NS(=O)(=O)c2ccccc2)(=O)c3ccccc3 ud003 c1ccc(cc1)C(F)S(=NS(=O)(=O)c2ccccc2)(=O)c3ccccc3 ud004 c1ccc(cc1)S(=NS(=O)(=O)c2ccccc2)(=O)C(c3ccc(cc3)F)F ud005 c1ccc(cc1)S(=NS(=O)(=O)c2ccccc2)(=O)C(F)F ud006 c1ccc(cc1)S(=O)(=O)C(F)(F)Cl ud007 c1cc(ccc1OC(F)F)F ud008 c1ccc(cc1)c2nccn2C(F)F ud009 c1cc(c(c(c1Br)OC(F)F)Br)Br ud010 c1ccc2c(c1)ncn2C(F)F ud011 C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl ud012 CC(C)(C(=O)OC)C(F)(F)F ud013 CC(C)(C(=O)O)C(F)(F)F ud014 c1c(c(cc(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ud015 Cc1nc2cnccc2n1Cc3ccc(cc3F)C(=O)c4cn(c5c4c(ccc5)C#C)C(=O)N(C)C.Cl tj003 c1cc(nc(c1Br)I)Cl cdp131de1a CCOC(=O)c1cnc(cc1Br)Br cdp131de2 Cc1c(cc(nc1Cl)Br)Br cdp131de3 Cc1cc(cc(n1)Br)Br cdp131de4 CC[n+]1c2ccccc2sc1/C=C/C=C/3\C(c4ccccc4N3C)(C)C.[I-] tj004 CC(=O)Nc1ccc2c3c1cccc3C(=O)N(C2=O)CCCCCC(=O)O tj005 CC(=O)Oc1ccc2ccc[n+](c2c1)C.[I-] tj006 CC(=O)N=C1C=CC(=O)C=C1 tj007 CC(=O)OCCN(C)CCCl tj008 CC(=O)NCCc1c[nH]c2c1cccc2 tj009 CC(C)Oc1ccc2c(c1)oc3ccc(cc3c2=O)C(=O)O tj010 C=CCN(c1c(cccc1Cl)Cl)C2=NCCN2 tj011 Cn1c2c(nc1c3ccc(cc3)S(=O)(=O)O)n(c(=O)n(c2=O)CC=C)C tj012 Cc1cc(cc2c1c3cc(cc(c3c(=O)o2)O)O)O tj013 Cc1c(n(nc1C(=O)NN2CCOCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)I tj014 CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C tj015 c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)Oc4ccc(cc4)C(=N)N.Cl.Cl tj016 c1cc(ccc1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N tj018 C(/C=C/C(=O)O)N tj019 C1C(C=CC=C1C(=O)O)N.Cl tj021 CC1CNC=C(S1)N tj022 c1ccc(c(c1)N)S(=O)(=O)Nc2cccc3c2nccc3 tj023 c1cc(ccc1/C=C/c2ccc(cc2N)C(=N)N)C(=N)N tj024 c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6.Cl.Cl tj025 c1ccc(cc1)C(c2ccccc2)NCCNC(c3ccccc3)c4ccccc4.Cl.Cl tj026 Cc1c(c(=O)[nH]o1)CC(C(=O)O)N tj028 COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C.Cl tj029 c1ccc(cc1)Nc2ccc(c3c2cccc3)N4C(=O)C=CC4=O tj030 Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CCCNC(=N)N)N.Cl tj031 c1cc(c(cc1)Cl)CNC[C@H]2CC[C@@H](CC2)CNCc3c(cccc3)Cl.Cl.Cl tj032 Cc1ccc(cc1)S(=O)(=O)/C=C/C#N tj033 CC(C)(C)c1ccc(cc1)S(=O)(=O)/C=C/C#N tj034 CCN1C(=C(C(C2=C1COC2=O)c3ccccc3Cl)C(=O)OC(C)C)C tj035 CCN1C(=C(C(C(=C1C(=O)[O-])C(=O)[O-])c2ccccc2Cl)C(=O)OC(C)C)C.[Na+].[Na+] tj036 c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)N4C(=O)C=CC4=O tj037 CC(=O)Oc1ccc2cc(c(=O)oc2c1)c3nc4ccccc4o3 tj038 Cc1c(c2cc(ccc2n1C(=O)c3ccccc3)OC)CC(=O)O tj039 c1ccc(cc1)COC(C#N)c2ccc3ccccc3c2 tj040 c1ccc(cc1)COc2ccc3cccnc3c2 tj041 C[N+](C)(C)CC=O.[Cl-] tj042 CN(C)/C=N/c1c(cnn1c2ccc(c(c2)Cl)F)C#N tj043 COC(=O)c1cc(ccn1)[N+](=O)[O-] cdp090fp1 CCOC(=O)c1cc(ccn1)[N+](=O)[O-] cdp090fp2 CCN(CC)CCn1c2ccc(cc2nc1Cc3ccc(cc3)OCC)N=C=S tj047 Cc1ccc2c(c1)n3c(cnc3c(n2)NCCN)C.Cl tj048 CC(C)(C)OC(=O)c1c2n(cn1)-c3cccc(c3C(=O)N4[C@H]2CCC4)Br tj049 C[C@@H](Cc1ccc(cc1)OCC(=O)OC)NC[C@H](c2cccc(c2)Cl)O.Br tj050 c1cc(c(cc1CC(=O)N2CCCCC2CN3CCCC3)Cl)Cl tj051 c1ccc2c(c1)cccc2C3CC/C(=C\Br)/OC3=O tj052 C(c1c(c(=O)[nH]o1)Br)C(C(=O)O)N tj053 c1c(cc(c2c1n(=O)c(s2)C(=O)N)[N+](=O)[O-])C#N tj054 c1ccc2c(c1)ccc(n2)C3=NCCN3 tj055 CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O tj056 CC(C)(C)C12COP(=S)(OC1)OC2 tj057 C1CCC(CC1)[C@@H](CCN2[C@H](C(=O)NC2=O)CCCCCCC(=O)O)O tj058 CC(=O)N(C/C=C/c1cccc(c1)Oc2ccccc2)O tj059 c1ccc(cc1)CN2C(=O)[C@@H](N(C2=O)NCC(C3CCCCC3)O)CCCCCCC(=O)O tj060 CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O tj061 Cc1c(c(c(cn1)[N+](=O)[O-])Cl)[N+](=O)[O-] cdp316fp10np2 Cc1cc(c(c(n1)C)[N+](=O)[O-])O cdp316fp10de1 Cc1c(c(c(c(n1)C)[N+](=O)[O-])O)[N+](=O)[O-] cdp316fp10de2 Cc1c(c(c(c(n1)C)[N+](=O)[O-])Cl)[N+](=O)[O-] cdp316fp11de1 Cc1cc2c(c(c1)Cc3cc(cc(c3OC(=O)C)Cc4cc(cc(c4OC(=O)C)Cc5cc(cc(c5OC(=O)C)Cc6cc(cc(c6OC(=O)C)Cc7cc(cc(c7OC(=O)C)C2)C)C)C)C)C)OC(=O)C s026cb2 Cc1cc2c(c(c1)Cc3cc(cc(c3OC(=O)C)Cc4cc(cc(c4OC(=O)C)Cc5cc(cc(c5OC(=O)C)Cc6cc(cc(c6OC(=O)C)Cc7cc(cc(c7OC(=O)C)C2)C)C)C)C)C)OC(=O)C s026cb3 c1cc2c(cc1O)sc(n2)C3=N[C@@H](CS3)C(=O)O s039b c1cc(ccc1C#N)C(=O)C=O un111 Cc1cc(cc(n1)C)CCl cia036de2 Cc1cc(cc(n1)C)C(=O)C cia036de3 Cc1cc(cc(n1)C)F cia036de4 Cc1cc(cc(n1)C)I cia036de5 Cc1cc(cc(n1)C)OC cia036de6 c1cnc2c(n1)cncn2 pt001 c1c(=O)[nH]c2c(n1)[nH]c(nc2=O)N pt002 Cc1c(=O)[nH]c2c(n1)[nH]c(nc2=O)N pt003 c12c([nH]c(=O)c(=O)[nH]1)[nH]c(nc2=O)N pt004 C1=NC2C(NC1=O)NC(=NC2=O)N pt005 Cc1cnc2c(n1)c(nc(n2)N)N pt006 Cc1c[nH]c-2nc(nc(=O)c2n1)N pt007 c1c(nc-2c(=O)nc(nc2[nH]1)N)C=O pt008 Cc1c(=O)[nH]c2c(n1)c(=O)nc([nH]2)N pt009 c1c2c(ncc(n2)Cl)ncn1 pt010 c1c2c(ncc(n2)N)ncn1 pt011 c1c2c(ncn1)nc(cn2)Cl pt012 c1c2c(ncc(n2)C(=O)O)ncn1 pt013 Cc1ncc2c(n1)nccn2 pt014 Cc1c2c(nccn2)ncn1 pt015 c1cnc-2cnc(=O)nc2[nH]1 pt016 c1c2c(ncc(=O)[nH]2)ncn1 pt018 c1c2c([nH]c(=O)cn2)ncn1 pt019 C1C2C1[C@H](NC2)C(=O)O a287 CC(C)(C)C(=O)Nc1cc(ccn1)OC cdp104fp2fp5vp c1ccc(cc1)c2c(ccc(n2)N)Cl ct085fp4 c1ccc(cc1)c2c(cc(c(n2)N)Cl)Cl ct085fp5 c1ccc(cc1)c2c(ccc(n2)N)Br ct085fp6 c1ccc(cc1)c2c(cc(c(n2)N)Br)Br ct085fp7 Cc1ccncc1OC ct051vp1fp10 C1COC2=C(O1)SC(=C3SC=CS3)S2 jg122 c1cc2c([nH]c(=O)oc2=O)nc1 wh165 Cc1cc(nc(n1)C)NC(=O)Nc2ccccc2 wh166 c1ccc(cc1)NC(=O)NN2CCOCC2 wh167 c1ccc(cc1)NC(=O)NCCCN2CCOCC2 wh168 CC(C)(C)C1=C(C(C(=C(O1)N)C#N)c2ccccc2Cl)C#N wh169 Cc1ccc(cc1)c2nnc(o2)c3ccc(cc3)C wh170 c1cc(ccc1c2nnc(o2)c3ccc(cc3)[N+](=O)[O-])N wh171 c1ccc(cc1)c2nnc(o2)c3cccnc3 wh172 c1cnc(cn1)c2nnc(o2)c3cnccn3 wh173 c1ccc(cc1)c2cc(=O)[nH]c(=O)[nH]2 wh174 CCOC(=O)NNC(=O)Nc1ccccc1 wh175 CCOC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C#N wh176 Cn1c(c(c(=O)n(c1=O)C)C(=O)CC#N)N wh177 CCNc1c(c(=O)n(c(=O)n1C)C)C(=O)CC#N wh178 Cn1c(c(c(=O)n(c1=O)C)C(=O)CC(=O)O)N wh179 Cn1c(c(c(=O)n(c1=O)C)C(=O)CC#N)NCC=C wh180 CCCNc1cc(=O)n(c(=O)n1C)C wh181 Cn1c(cc(=O)n(c1=O)C)NC2CC2 wh182 CCOC(=O)CC(=N)N.Cl wh183 C1=CC(=O)N(C1=O)CCCN2C(=O)C=CC2=O wh184 C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O wh185 c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O wh186 C1C2C=CC1C3C2C(=O)N(C3=O)N4C(=O)C5C6CC(C5C4=O)C=C6 wh187 CC1=C(C(=O)N(C1=O)c2ccccc2)C wh188 CCOC(=O)C1=C(CCC1)NC(=O)c2ccccc2 wh189 C(#N)c1c(c(sc1N)N)C#N wh190 CCOC(=O)c1c(c(sc1N=P(c2ccccc2)(c3ccccc3)c4ccccc4)N=P(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCC wh191 c1ccc2c(c1)c(c3ccccc3n2)N=[N+]=[N-] wh192 C1COC(=C1C#N)N wh193 CCOC(=O)c1c(oc(n1)c2ccccc2)N wh194 CC1C(OC(=C1C#N)N)C wh195 CC1C2=C(CC(CC2=O)(C)C)OC(=C1C(=O)OC)N wh196 CC1C2=C(CC(CC2=O)(C)C)OC(=C1C(=O)N)N wh197 COC(=O)/C(=C\c1cccs1)/C#N wh199 Cc1ccc(cc1)S(=O)(=O)N2CCc3c2nc(c(c3N)C#N)N wh200 COC(=O)c1nnc(nn1)C(=O)OC wh201 COC(=O)C1=NNC(=NN1)C(=O)OC wh202 C[Si](C)(C)c1cnccc1Cl a004vp2de7 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)[N+](=O)[O-])C bc125vp1 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)Cl)C bc125vp1lit1 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)S(=O)(=O)O)C bc125vp1lit2 Cc1c2ccc(cc2oc(=O)c1c3ccc(cc3)Cl)N(C)C bc125vp1lit3 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)C)C bc125vp1lit4 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3cccc(c3)Cl)C bc125vp1lit5 CC1CC(=C(O1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4)C#N wh203 CC1(CC(=C(O1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4)C#N)C wh204 CC1CC(=C(O1)N)C#N wh205 CC1(CC(=C(O1)N)C#N)C wh206 C1CSC(=C1C#N)N wh207 COC(=O)C1=C(SCC1)N wh208 CCOC(=O)C1=C(SCC1)N wh209 COc1cnccc1CO cia028de2vp1 COc1cccnc1C(=O)OC cia028de2de1 COc1cccnc1CO cia028de2de2 COc1ccnc(c1)CO cia028de2de3 COc1ccc(nc1)CO cia028de2de4 COc1cccc(n1)CO cia028de2de5 COc1ccc(cn1)CO cia028de2de6 c1cnc(c(c1O)Cl)Br cdp119fp1 c1c(c(cnc1Br)Cl)O cdp119fp2 c1c(c(c(c(n1)Br)Cl)O)Cl cdp119fp3 c1cnc(c(c1O)Br)Br cdp119fp4 c1c(c(cnc1Br)Br)O cdp119fp5 c1c(c(c(c(n1)Br)Br)O)Br cdp119fp6 c1cnc(c(c1O)[N+](=O)[O-])Br cdp119fp7 c1c(c(cnc1Br)[N+](=O)[O-])O cdp119fp8 COc1cnccc1C(=O)O cia028de2np1 c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu210 Cc1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu222 c1cc(ccc1NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl lu223 CC(=O)Nc1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu224 c1ccc(cc1)COC(=O)C(C(C(C(C(C(C(=O)Nc2ccc(cc2)C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu225avp1 c1cc(ccc1C#N)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu225a c1cc(ccc1NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I lu227 Cc1ccc(cc1C)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu228 c1ccc(cc1)c2ccc(cc2)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu229 CCc1cccc(c1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu232 c1ccc(cc1)n2cc(nn2)c3ccc(cc3)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu233 c1cc2ccc3ccc(c4c3c2c(c1)cc4)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu234 c1ccc(cc1)c2csc(n2)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu235 c1ccc(cc1)n2c(cnn2)c3ccc(cc3)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu236 c1ccc2c(c1)cccc2NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu239 c1ccc(cc1)c2cccc(c2)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu242 c1ccc2cc(ccc2c1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu243 c1ccc(cc1)c2ccccc2NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu244 c1ccc2cc3cc(ccc3cc2c1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu245 c1ccc2c(c1)cc(c3c2cccc3)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F lu246 c1ccc2cc3c(cccc3NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc2c1 lu247 c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N)F f165 c1cc(c(nc1)C=O)N ct255fp3fp9 CCOC(=O)c1ccncc1I ct255fp8de1 CCOC(=O)c1c(cccn1)I ct255fp8de2 COC(=O)c1cnccc1I ct255fp8de3 COC(=O)c1cc(cnc1)I ct255fp8de4 COC(=O)c1ccc(cn1)I ct255fp8de5 CCOC(=O)c1ccc(cn1)I ct255fp8de6 CCOC(=O)c1cccc(n1)I ct255fp8de7 COC(=O)c1ccnc(c1)I ct255fp8de8 CCOC(=O)c1ccnc(c1)I ct255fp8de9 CCOC(=O)c1cccnc1I ct255fp8de10 CCN(CC)S(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de1 CN(C)S(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de2 CC(C)N(C(C)C)S(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de3 CCCN(CCC)S(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de4 CCNS(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de5 CNS(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de6 c1ccc(cc1)NS(=O)(=O)c2cc(cnc2)C(=O)O ct044fp2de7 CC(C)NS(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de8 CC(C)(C)NS(=O)(=O)c1cc(cnc1)C(=O)O ct044fp2de9 c1cc(c(nc1)S(=O)(=O)N)C(=O)O ct044fp2de10 c1cnc(cc1C(=O)O)S(=O)(=O)N ct044fp2de11 c1cnc(cc1S(=O)(=O)N)C(=O)O ct044fp2de12 c1cc(ncc1S(=O)(=O)N)C(=O)O ct044fp2de13a c1cc(nc(c1)S(=O)(=O)N)C(=O)O ct044fp2de14a c1cncc(c1C(=O)O)S(=O)(=O)N ct044fp2de15a Cc1ccncc1S(=O)(=O)N ct044fp1de1 Cc1ccc(cn1)S(=O)(=O)N ct044fp1de2 Cc1ccnc(c1)S(=O)(=O)N ct044fp1de3 c1c(c(nnc1Cl)NN)N ct267lit1 c1c(cnnc1Cl)N ct267lit2 c1c(c(c(nn1)Br)Cl)Cl ct267vp1fp9 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)N)C bc125vp2 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccccc3)C bc125vp1lit6 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3cc(ccc3Cl)Cl)C bc125vp1lit7 Cc1c2ccc(cc2oc(=O)c1c3ccccc3)N(C)C bc125vp1lit8 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccc(cc3)OC)C bc125vp1lit9 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccccc3C(=O)O)C bc125vp1lit10 CCN(CC)c1ccc2c(c(c(=O)oc2c1)c3ccccc3C)C bc125vp1lit11 CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC.Cl fd126 Cc1c(ccc(n1)C#N)Cl rp211de37 Cc1c(ccc(n1)C(=O)O)Cl rp211de38 Cc1ccc(c(n1)C#N)Cl rp211de39 Cc1ccc(c(n1)C(=O)O)Cl rp211de40 Cc1ccc(s1)C(=O)/C=C/N(C)C dx001 CN(C)/C=C/C(=O)c1cccs1 dx002 Cn1cccc1C(=O)/C=C/N(C)C dx003 c1cc(c(nc1)NN)C(=O)O a252vp1de1 c1cnc(cc1C(=O)O)NN a252vp1de2 c1cnc(cc1C(=O)O)NN a252vp1de3 Cc1cc(sc1)C(=O)/C=C/N(C)C dx004 CN(C)/C=C/C(=O)c1nccs1 dx005 CCc1c(sc(n1)N)C(=O)OC dx006 CCOC(=O)c1c(nc(s1)N)C(C)C dx007 c1cc(ncc1C#N)NCCNC(=N)N dx008 CC(C)C(=O)n1ccnc1 dx009 c1cnc(cn1)NC(=S)N dx010 c1c(nc(c(n1)Cl)Cl)Cl dx011 C=COCCON1C(=O)c2ccccc2C1=O dx012 Cc1ccc(cc1)S(=O)(=O)[O-].c1ccc2c(c1)nnn2C(=N)[NH3+] dx013 COS(=O)(=O)n1c2ccccc2nn1 dx014 c1ccc2c(c1)c(=O)c3ccc(cc3[nH]2)N dx015 Cc1ccccc1NC(=O)c2c(cccc2N)C dx016 CCOC(=O)C(=C(c1ccccc1)N)C(=O)OCC dx017 COc1ccccc1N(CCO)CCO dx018 CCCC(CCC)c1ccc(cc1)O dx019 COC(=O)c1cc(cc(c1O)[N+](=O)[O-])F dx020 CCOC(COc1ccc(cc1)F)OCC dx021 CS(=O)(=O)c1ccc(cc1F)C=O dx022 c1ccc2c(c1)N(C(=O)CO2)C3CCNCC3 dx023 CC(=O)C1CCCN(C1)C dx024 c1cc(c(cc1[N+](=O)[O-])N2CCOCC2)C#N dx025 CC(C)(C)C(=O)N1CCC(=CC1)c2cccc(c2)C(F)(F)F dx026 CC(C)(C)OC(=O)N(C)CCNC dx027 CC(C)(C)OC(=O)CN1CCOCC1 dx028 CC(C)(C)OC(=O)CN1CC(C1)O dx029 c1c(c(nc(c1Br)O)N)Br cdp194fp3np1 CCOc1cccc(n1)N cdp194fp3vp1 CCOc1ccc(c(n1)N)Br cdp194fp3vp2 CCOc1c(ccc(n1)N)Br cdp194fp3vp3 CCOc1c(cc(c(n1)N)Br)Br cdp194fp3vp4 Cc1ccc2c(c1)c(c[nH]2)C(=O)C md017fp11de1 Cc1cccc2c1[nH]cc2C(=O)C md017fp11de2 CC(=O)c1c[nH]c2c1cc(cc2)OC md017fp11de3 CC(=O)c1c[nH]c2c1ccc(c2)OC md017fp11de4 Cc1ccc2c(c1)[nH]cc2C(=O)C md017fp11de5 CC(=O)c1c[nH]c2c1ccc(c2)[N+](=O)[O-] md017fp11de6 CC(=O)c1c[nH]c2c1cccc2[N+](=O)[O-] md017fp11de7 CC(=O)c1c[nH]c2c1c(ccc2)OC md017fp11de8 CC(=O)c1c[nH]c2c1cc(cc2)[N+](=O)[O-] md017fp11de9 CC(=O)c1c[nH]c2c1cc(cc2)Br md017fp11de10 CC(=O)c1c[nH]c2c1c(ccc2)Cl md017fp11de11 CC(=O)c1c[nH]c2c1c(ccc2)Br md017fp11de12 CC(=O)c1c[nH]c2c1cccc2Cl md017fp11de13 Cc1ccc(c(n1)OC)Br rp211de25vp1 COc1cc(ncc1Br)C(=O)N rp211de25lit1 COc1cc(ncc1Br)C#N rp211de25lit2 COC(=O)c1cc(c(nc1)Cl)O rp211de25lit3 COc1cc(cnc1Cl)C(=O)OC rp211de25lit4 c1cc2c(cc1Cl)C(CO2)O rp211de25lit5 C1CN2CCC1[C@H](C2)N.Cl.Cl jg115 COc1ccccc1C2CC2 ll001 COc1ccc[n+](c1)[O-] ll002 CC(C)OCCCSc1ccccc1 ll003 c1c(c(n[nH]1)Br)[N+](=O)[O-] ll004 c1c(c(sc1S(=O)(=O)Cl)Br)[N+](=O)[O-] ll005 Cc1c(cc(cc1[N+](=O)[O-])N)C(=O)OC ll006 c1c(cc(cc1N)Br)N ll007 COc1ccc(cc1)C2CC2 ll008 Cc1c(cc(cc1[N+](=O)[O-])O)C(=O)OC ll009 C=CCOC(=O)CS ll010 CC(=O)OCc1cc(ccn1)OC ll011 c1cc(cc(c1)O)C2CC2 ll012 CC(=O)OCc1ccc2cc(ccc2n1)[N+](=O)[O-] ll013 c1ccc(cc1)COc2ccc[n+](c2)[O-] ll014 c1ccc(cc1)COc2cccnc2 ll015 c1c[n+](ccc1N2CCOCC2)[O-] ll016 Cc1c(nccc1Cl)C ll017 c1ccc(c(c1)C2CC2)Cl ll018 c1cc(cc(c1)Cl)C2CC2 ll019 c1cc(ccc1C2CC2)Cl ll020 c1cc(ccc1C2CC2)F ll021 c1ccc(c(c1)C2CC2)F ll022 c1cc(cc(c1)F)C2CC2 ll023 COc1cccc(c1)C2CC2 ll024 Cc1cccc(c1)C2CC2 ll025 Cc1ccccc1C2CC2 ll026 Cc1ccc(cc1)C2CC2 ll027 c1cc(c(c(c1)O)C2CC2)O ll028 CNc1ccc(cc1)C2CC2 ll029 Cc1ccc2c(c1)cc([nH]2)C(=O)OC ll030 Cc1c(c(c(c(n1)C)Cl)N)Cl ll031 Cc1cc(=O)n(c(=O)n1CCO)CCO dn038np1 c1c[nH]c(=O)n(c1=O)CCO dn038de1 c1c(c(=O)n(c(=O)n1CCO)CCO)F dn038lit1 Cc1c[nH]c(=O)n(c1=O)CCO dn038de2 c1cnc(cc1CO)C#N cia036lit4de1 c1cc(nc(c1)C#N)CO cia036lit4de2 c1c(cnc(c1[N+](=O)[O-])N)C(=O)O dap14vp1 CCOC(=O)c1cc(c(nc1)N)[N+](=O)[O-] dap14vp2 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)N s053vp5 C=C1CCC2(CC1)OCCO2 bclit001de5vp1 C1CC12CCC3(CC2)OCCO3 bclit001de5vp2 C1CC2(CCC1=O)CC2 bclit001de5vp3 C1CC2(CCC1=NO)CC2 bclit001de5vp4 COC(=O)c1cccc(c1)CC=C bclit001de5lit1 COC(=O)c1cccc(c1)CC2CC2 bclit001de5lit2 c1cc(cc(c1)CO)CC2CC2 bclit001de5lit3 c1cc(cc(c1)CCl)CC2CC2 bclit001de5lit4 CC/C(=C/C(=O)OC)/C bclit001de5lit5 CC/C(=C/CO)/C bclit001de5lit6 CC/C(=C/CBr)/C bclit001de5lit7 C1CCC(=CC1)CO bclit001de5lit8 C1CCC(=CC1)CBr bclit001de5lit9 C1CC=C(C1)CO bclit001de5lit10 C1CC=C(C1)CBr bclit001de5lit11 CC(C)n1ccc2c1cc(cc2)C(=O)OC bclit001de5lit12 CC(C)n1ccc2c1cc(cc2)CO bclit001de5lit13 CC1=C(CCC1)CO bclit001de5lit14 COC(=O)c1cccc(c1)OC=C bclit001de5lit16 COC(=O)c1cccc(c1)OC2CC2 bclit001de5lit17 c1cc(cc(c1)OC2CC2)CO bclit001de5lit18 c1cc(cc(c1)OC2CC2)CCl bclit001de5lit19 C1CC[C@H]([C@@H](C1)N)F.[Br-] bclit001de5lit20 C1CC(CC(C1)(F)F)N.Cl bclit001de5lit21 CC(CF)N.Cl bclit001de5lit22 Cc1ccc(cc1)S(=O)(=O)N2C3C2CCC3 bclit001de5lit23 C[C@@H]1CCC[C@H]1F.[Br-] bclit001de5lit24 c1cc(c(cc1C#N)Cl)S a230lit1 Cc1cc(ccc1C#N)S a230lit2 c1cc(c(cc1C#N)C#N)S a230lit3 c1cc(c(cc1C#N)C(F)(F)F)S a230lit4 c1cc(cc(c1)S)C#N a230de1 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 CCN(CC)c1ccc[n+](c1)[O-] cdp027vp2fp7de2 CC(C)Nc1ccc[n+](c1)[O-] cdp027vp2fp7de3 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 CC(C)(C)Nc1ccc[n+](c1)[O-] cdp027vp2fp7de6 CC(C)N(c1ccc[n+](c1)[O-])C(C)C cdp027vp2fp7de7 CCCN(CCC)c1ccc[n+](c1)[O-] cdp027vp2fp7de8 CCOc1cc(nc(c1)C)C ct091de2de1 CCOc1ccnc(c1)Cl ct091de2de2 CCOc1ccnc(c1)C ct091de2de3 CCOc1c(cncc1Cl)Cl ct091de2de4 CCOc1ccncc1C ct091de2de5 CCOc1ccncc1F ct091de2de6 CCOc1ccncc1Cl ct091de2de7 CCOc1ccnc(c1)F ct091de2de8 COc1ccncc1F ct091de2de9 COc1cc(c2ccccc2n1)Br qn049vp COc1cc(c2ccccc2n1)Cl qn049vpde1 CCOc1cc(c2ccccc2n1)Cl qn049vpde2 CC(C)Nc1nc(nc(n1)SC)N(C(C)C)N=O un211lit1 Cc1ccc(nc1Cl)Br rp146de1 Cc1ccc(nc1Br)Br rp146de2 Cc1ccc(nc1F)Cl rp146de3 Cc1ccc(nc1F)Br rp146de4 Cc1cc(nc(c1)Cl)F rp146de5 Cc1cc(nc(c1)Br)F rp146de6 Cc1ccc(nc1Cl)F rp146de7 Cc1ccc(nc1Br)F rp146de8 COC(=O)c1ccc(s1)C(=O)O ct460 CCOC(=O)c1c[nH]c2c1c(ncn2)Cl un228 C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2.O.Cl.Cl un229 Cc1cncc(c1N)Cl cdp257fp7 CCOc1c(c(c(cn1)Cl)N)Cl a007de1fp11 Cc1c(c(c(cn1)Cl)N)Cl cdp316fp2np1 Cc1c(c(ccn1)Br)Cl cdp316fp9de1 c1cnc(c(c1Br)Cl)CO cdp316fp9de2 C(C(=O)C(Cl)Cl)(Cl)Cl bc315vp1 COC(=O)C=C(C(Cl)Cl)C(Cl)Cl bc315vp2 c1cc2cccc(c2c(c1)F)F f033de1 c1cc2cccc(c2c(c1)Cl)Cl f033de2 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)N=[N+]=[N-] bc366de8 c1cc(ccc1CCCC(=O)ON2C(=O)CCC2=O)N3C(=O)C=CC3=O bc366de9 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)ON5C(=O)CCC5=O bc366de10 c1c(c(cnc1Br)Cl)N ct088fp7 c1c(c(c(c(n1)Br)Cl)N)Cl ct088fp8 Cc1ccc(c(c1)OCCOc2ccccc2N)N f116 C1CC(=O)N(C1=O)OC(=O)CI bc366de11 c1cc(c(cc1N=[N+]=[N-])O)C(=O)ON2C(=O)CCC2=O bc366de12 c1cc(c(cc1N=[N+]=[N-])C(=O)ON2C(=O)CCC2=O)[N+](=O)[O-] bc366de14 C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CCC2=O bc366de15 c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)O)F un222de1 c1cc(cc(c1)C(F)(F)F)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O un222de2 Cc1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O un222de3 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)F un222de4 c1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O un222de5 c1cc2c(cccc2Br)c(c1)Br f033de3 c1ccc(cc1)c2cc(ccn2)CO cdp205fp5hp C(C(=O)N)C(=O)O tv001de1 C(CC(=O)N)CC(=O)O tv001de2 C(CCC(=O)N)CCC(=O)O tv001de3 C(CCCC(=O)O)CCC(=O)N tv001de4 C(CCCC(=O)N)CCCC(=O)O tv001de5 C(CCCCC(=O)O)CCCC(=O)N tv001de6 c1cc(cc(c1)C(=O)O)C(=O)N tv001de7 c1cc(c(cc1CBr)Br)CBr hs2-a012de1 c1cc(c(cc1CBr)Cl)CBr hs2-a012de2 c1cc2cccc(c2c(c1)CBr)CBr hs2-a012de3 c1cc(c2cccc(c2c1)CBr)CBr hs2-a012de4 c1cc2cc(ccc2cc1CBr)CBr hs2-a012de5 c1cc(cc2c1ccc(c2)CBr)CBr hs2-a012de6 c1c(c(cnc1Br)Br)N ct088fp9 c1cc2ccc(cc2nc1)O tj006vp1 c1cnc(cc1C=O)C(F)(F)F cia023 c1cnc(cc1CO)C(F)(F)F cia023vp1 c1cc(nc(c1)C(F)(F)F)CO cia023vp1np1 c1cnc(c(c1N)Br)F cdp099fp5hp c1c(c(c(c(n1)F)Br)N)Br cdp099fp5np c1c(c(c(c(n1)F)Cl)N)Cl cdp099fp3np c1ccc(cc1)c2[nH]c3c(n2)[nH]c(=O)[nH]c3=O dn081lit1 Cc1[nH]c2c(n1)nc(nc2Cl)Cl dn081lit2 c1ccc(cc1)c2[nH]c3c(n2)nc(nc3Cl)Cl dn081lit3 Cc1cc(nc(c1)CO)C cia036lit3de1 Cc1cc(ncc1C)CO cia036lit3de2 c1ccc(cc1)c2cc(cc(n2)c3ccccc3)CO cdp205fp5de1 Cc1ccc(nc1C#N)CO cia036lit4de3 c1c(cc(nc1C#N)C#N)CO cia036lit4de4 c1cnc(cc1C(F)(F)F)CO cia023vp1de1 Cc1cc(nc(c1)C#N)CO cia036lit4de4a Cc1cc(cc(n1)CO)C#N cia036lit4de5 Cc1cncc(c1O)[N+](=O)[O-] cdp316fp10de3 Cc1c(cc(c(n1)O)[N+](=O)[O-])[N+](=O)[O-] cdp316fp10de4 Cc1c(cnc(c1[N+](=O)[O-])O)[N+](=O)[O-] cdp316fp10de5 CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC dl018 c1ccc2c(c1)c(cc(c2N)Br)[N+](=O)[O-].Br dna332vp1 c1ccc2c(c1)c(cc(c2N)Cl)[N+](=O)[O-] dna332lit2 c1ccc2c(c1)c(cc(c2O)Cl)[N+](=O)[O-] dna332lit1 c1ccc2c(c1)cc(cc2Br)O dna100lit1 CC(=O)Nc1c2ccccc2c(cc1[N+](=O)[O-])[N+](=O)[O-] dna100vp1 c1ccc2c(c1)c(cc(c2N)[N+](=O)[O-])[N+](=O)[O-] dna100vp1fp1 B1(=N2=C(C=C(C2=Cc3n1c(cc3C)C)C)C)(F)F un232 B1(=N2=C(C=C(C2=Cc3n1c(cc3)CCC(=O)OC)C)C)(F)F un233 CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC un234 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 c1cnc(c(c1Cl)C(=O)O)O un236 c1cnc(c(c1N)C(=O)O)O un237 COc1ccccc1CNCCn2c(=O)c3ccccc3[nH]c2=O un238 c1ccc2c(c1)N(c3ccccc3S2)CCCCCCS(=O)(=O)[O-].[Na+] a260de1 c1ccc2c(c1)N(c3ccccc3S2)CCCCCCCCCCCCS(=O)(=O)[O-].[Na+] a260de2 c1c(c(c(c(n1)Cl)[N+](=O)[O-])N)Cl cdp092fp2fp1 c1c(c(c(c(n1)Cl)[N+](=O)[O-])N)Br cdp092fp2fp2 Cc1c(c(ccn1)Cl)F cdp106de3fp1 CC1(C(=O)COC1=O)C un239 c1ccc2c(c1)C(=O)NC(=O)C23CC3 un240 Cc1c(c2ccccc2cn1)Br un241 Cc1c(c2ccccc2cn1)C#N un242 c1ccc(cc1)c2c(c3ccccc3cn2)C#N un243 c1ccc2c(c1)cnc(c2[N+](=O)[O-])O un244 Cc1c(c2ccccc2cn1)I un245 c1ccc(cc1)c2c3ccccc3cnc2N un246 c1ccc2c(c1)cnc(c2F)O un247 Cc1c2ccc(cc2oc(=O)c1CCC(=O)O)N un248 CCOC(=O)Cc1c(c2ccc(cc2oc1=O)NC(=O)OCC)C un249 CCOC(=O)Nc1ccc2c(c(c(=O)oc2c1)CC(=O)O)C un250 Cc1c2ccc(cc2oc(=O)c1CCC(=O)ON3C(=O)CCC3=O)N un251 CC(=O)O[Hg]c1cc2c(cc1O)Oc3cc(c(cc3C24c5ccccc5C(=O)O4)[Hg]OC(=O)C)O un252 CC1=Nc2ccc(cc2C1(C)C)S(=O)(=O)O un253 CC1=[N+](c2ccc3ccccc3c2C1(C)C)CCCCCC(=O)O.[Br-] un254 c1c2cc(c(=O)oc2c3c4c1CCCN4CCC3)C(=O)NCCOCCOCCN un255 c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F un256 c1ccnc(c1)SSCCC(=O)ON2C(=O)CCC2=O bc366de16 C1C(C(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] bc366de17 c1c(c(c(cn1)Br)N)C(=O)O cdp268fp3 c1ccnc(c1)SSCCC(=O)NN bc373 c1ccnc(c1)SSCCC(=O)NCCCCCC(=O)O bc374 c1ccnc(c1)SSCCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O bc375 c1ccnc(c1)SSCCC(=O)O bc376 CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O un257 C(CC(=O)OCCOC(=O)CCC(=O)O)C(=O)O un258 C(CC(=O)O)CC(=O)OCCOC(=O)CCCC(=O)O un259 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCC(=O)O bc377 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCC(=O)O bc378 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCC(=O)O bc379 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCC(=O)O bc380 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O bc381 c1cc(ccc1C(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])N3C(=O)C=CC3=O.[Na+] bc382 C1CN(CCN1C(=O)CCC(=O)O)C(=O)CCC(=O)O un260 Cc1cncc(c1CO)C cia036lit3de3 c1ccc(cc1)c2ccc(nc2)CO cdp122fp2de1 CC(=O)c1ccc(nc1)CO cia036lit3de4 Cc1ccc(nc1C)CO cia036lit3de5 Cc1c(nccc1CO)C cia036lit3de6 Cc1ccc(nc1CO)C cia036lit3de7 Cc1cc(c(cn1)C)CO cia036lit3de8 CC(=O)c1ccnc(c1)CO cia036lit3de9 CC(=O)c1cccc(n1)CO cia036lit3de10 CC(=O)c1cc(ccn1)CO cia036lit3de11 c1cnc(cc1C=O)CO cia036lit3de12 c1cnc(cc1CO)C=O cia036lit3de13 c1cc(nc(c1)C=O)CO cia036lit3de14 c1cc(nc(c1N)[N+](=O)[O-])Br cdp057fp2 c1cc(c(cc1F)OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)F)N(CC(=O)O)CC(=O)O bc383 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)C)N(CC(=O)O)CC(=O)O bc384 Cc1ccc(c(c1)OCCOc2ccccc2N(CC(=O)OC)CC(=O)OC)N(CC(=O)OC)CC(=O)OC bc385 COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)N bc386 COc1cc2c(c(c1O)Cl)Oc3c(cc(c(c3Cl)O)OC)C24c5ccc(cc5C(=O)O4)C(=O)O bc387 COc1cc2c(c(c1O)Cl)Oc3c(cc(c(c3Cl)O)OC)C24c5cc(ccc5C(=O)O4)C(=O)O bc388 c1cc2c(cc1Cl)c(=O)nc([nH]2)c3cc(ccc3OP(=O)(O)O)Cl bc389 c1c(cn(n1)[N+](=O)[O-])[N+](=O)[O-] un261 Cc1ccn(n1)[N+](=O)[O-] un261lit1 CC(C)(C)c1ccn(n1)[N+](=O)[O-] un261lit2 c1ccc(cc1)c2ccn(n2)[N+](=O)[O-] un261lit3 CC(=O)n1ccc(n1)c2ccccc2 un261lit4 c1cn(nc1[N+](=O)[O-])[N+](=O)[O-] un261lit5 Cc1cnn(c1)[N+](=O)[O-] un261lit6 Cc1ccnn1[N+](=O)[O-] un261de1 CC(C)(C)c1cccc(c1O)Cl un262 c1cc(ccc1C(=O)C(C#N)C#N)[N+](=O)[O-] un263 c1cc(ccc1C(=O)C(C#N)C#N)F un264 COc1ccc(cc1)C(=O)C(C#N)C#N un265 c1cc(ccc1C(=O)C(C#N)C#N)Cl un266 c1cc(ccc1C(=O)C(C#N)C#N)N un267 Cc1ccc(cc1)C(=O)C(C#N)C#N un268 c1ccc(c(c1)C(=O)C(C#N)C#N)[N+](=O)[O-] un269 c1ccc(c(c1)C(=O)C(C#N)C#N)N un270 c1ccc2cc(ccc2c1)C(=O)C(C#N)C#N un271 c1cc(cc(c1)Br)C(=O)C(C#N)C#N un272 CCOC(=O)C1CN(CCC1=O)Cc2ccc(cc2)OC un273 CCOC(=O)C1CN(CCC1=O)Cc2ccccc2Cl un274 Cc1cc(=O)[nH]c2c1ccc(c2)O un275 Cc1cc(=O)oc2c1cc3c(c2)NC(C=C3C)(C)C un276 CN(C)/C=C(/C=[N+](C)C)\C(F)(F)F.[Cl-] un277 CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)CCCC(=O)O.[Cl-] un278 CN(C)c1ccc(c(c1)SS(=O)(=O)O)N un279 CCCN1CCN(CC1)c2ccc(cc2)C(=O)O un280 c1cc(cc(c1)O)NCC(F)(F)F un281 COc1cccc(c1)NC(=O)C(F)(F)F un282 CC[N+]1=C(C(c2c1cccc2)(C)C)C.[I-] un283 Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N.COc1cc(cc(c1OC)OC)Cc2cc(nc(n2)N)N fd127 CC1(c2ccccc2[N+](=C1/C=C/C3=C/C(=C/C=C/4\C(c5ccccc5N4C)(C)C)/CCC3)C)C.[I-] bc390 CC1(c2ccccc2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(c5ccccc5N4C)(C)C)/CCC3)Cl)C)C.[O-]Cl(=O)(=O)=O bc391 CCN\1c2ccccc2C(/C1=C\C=C\C3=[N+](c4ccccc4C3(C)C)CC)(C)C.[I-] bc392 CC1(c2ccccc2[N+](=C1/C=C/C=C/3\C(c4ccccc4N3C)(C)C)C)C.[O-]Cl(=O)(=O)=O bc393 CC1(c2ccccc2[N+](=C1/C=C/C=C/3\C(c4ccccc4N3C)(C)C)C)C.[I-] bc394 Cc1ccc2c(c1)C(/C(=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)C)C)/N2C)(C)C.[I-] bc395 CCCCCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)C)CCCCC)(C)C)C.[I-] bc396 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)Cc4ccccc4 co001 c1ccc(cc1)Cn2cnc3c2ncnc3Nc4ccccc4 co002 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)C4CCCCC4 co003 CC(C)n1cnc2c1ncnc2NCc3ccccc3 co004 Cn1cnc2c1ncnc2NCc3ccccc3 co005 Cn1cnc2c1ncnc2Nc3ccccc3 co006 c1ccc(cc1)Nc2c3c(ncn2)n(cn3)c4ccccc4 co007 Cc1c(=O)[nH]c(=O)n(c1Sc2ccccc2)COCCO co008 c1ccc(cc1)Cn2cnc3c2ncnc3NCCO co009 Cc1ccc(cc1)C(=O)c2cccc(n2)Br co010 c1ccn2cc(nc2c1)Cl co011 C(c1[nH]c(=O)[nH]n1)O co012 C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O co013 CC(C)c1c([nH]c(=O)[nH]c1=O)Cc2ccccc2 co014 Cc1c(scn1)CCl co015 Cc1c(=O)[nH]c(=O)[nH]c1Sc2ccccc2 co016 c1ccc(cc1)Cn2cnc3c2ncnc3N4CCOCC4 co017 c1ccc(cc1)Sc2c3c([nH]cn3)ncn2 co018 c1nc2c(c(n1)Cl)ncn2C3CCCCC3 co019 CC(C)c1c(=O)[nH]c(=O)[nH]c1I co020 Cc1c(=O)[nH]c(=O)[nH]c1I co021 CN(C)c1c2c(ncn1)n(cn2)Cc3ccccc3 co022 c1nc(c2c(n1)n(cn2)C3CCCCC3)N co023 CN(C)c1c2c(ncn1)n(cn2)C3CCCCC3 co024 c1ccc(cc1)Nc2c3c(ncn2)n(cn3)C4CCCCC4 co025 Cn1cnc2c1ncnc2NC3CCCC3 co026 Cc1ccc(cc1)n2cnc3c2ncnc3Nc4ccccc4 co027 c1ccc(c(c1)C=O)Nc2c(cccc2Cl)Cl co028 c1cc(cc(c1)Nc2c(cccc2Cl)Cl)CO co029 CCOC(=O)/C=C/c1c(cc(cc1C)C)C co030 CCOC(=O)C1CCN(CC1)C2CCN(CC2)C(=O)OC(C)(C)C co031 c1ccc2c(c1)cc3ccccc3c2CN4CCNCC4 co032 COc1ccc(cc1)C(=O)/C=N/O co033 c1ccc(c(c1)CC(=O)[O-])Nc2c(cccc2Br)Cl.[Na+] co034 CCC(=O)Oc1ccc[nH]c1=O f011fp2lit1 c1ccc(cc1)CN2CCc3c(c(=O)[nH]cn3)C2 un284 c1cc(c(=O)[nH]c1)OC(=O)C2CC2 f011fp2lit2 CC(C)(C)C(=O)Oc1ccc[nH]c1=O f011fp2lit3 c1ccc(cc1)C(=O)Oc2ccc[nH]c2=O f011fp2lit4 c1cc(nc(c1[N+](=O)[O-])N)Cl cdp206fp1np CCOc1c(cc(c(n1)N)[N+](=O)[O-])[N+](=O)[O-] cdp194fp3vp1fp1 c1cc(ncc1C#N)CO cia036lit4de6 CC(C)(C)n1ccc(n1)N un285 CN(C(=N)N)N un286 CC(=O)SCCC(=O)ON1C(=O)CCC1=O bc398 CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC fd128 C1CC(=O)N(C1=O)OC(=O)CCCN=[N+]=[N-] bc399 c1c(ocn1)N un287 CC(=S)SC un288 Cc1ccn(n1)CCBr un289 CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O fd130 c1c(c(cc(c1Cl)Cl)Cl)OCC#CI fd131 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](CO)O)O)N)O fd132 CC1c2cc(c(cc2CCN1CCc3ccc(cc3)N)OC)OC fd133 c1c(cnc2c1OCCO2)Br un290 c1cc2c(nc1)CCCO2 un291 c1c(cncc1Br)C#CCO un292 CCOC(=O)C(c1ccccc1)(c2ccccc2)N un293 C[C@@H](C(=O)O)NC(=O)c1cccc(c1)[N+](=O)[O-] bc400 CC1(O[C@H]([C@@H](O1)C(c2ccc3ccccc3c2)(c4ccc5ccccc5c4)O)C(c6ccc7ccccc7c6)(c8ccc9ccccc9c8)O)C tj062 CCOCCOC(=O)/C=C/c1ccc(cc1)OC un294 C1C(NC(=O)O1)C(=O)O un295 CCN(CC)c1ccc2cc(c(=O)oc2c1)c3nc4cc(ccc4o3)S(=O)(=O)N un296 C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl un297 c1ccnc(c1)C(CCN)c2ccc(cc2)Cl fd134 c1ccc(c(c1)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O)[N+](=O)[O-] fd135 c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)O)C45CC6CC(C4)CC(C6)C5 fd136 CN1CCC(=C2c3ccccc3CCn4c2ncc4C=O)CC1 fd137 C(=O)(N)NC(=O)O un298 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] s052 CCOC(=O)c1cnc2cc(c(cc2c1O)F)Cl un299 c1cc(c(cc1Cl)c2cc(ccc2Cl)Cl)Cl un300 Cc1c(cccn1)OC ct074fp3vp1de1 Cc1ccc(c(n1)C)OC ct074fp3vp1de2 COc1cc(cnc1)C(=O)OC ct074fp3vp1de3 Cc1ccc(c(n1)I)OC ct074fp3vp1de4 COc1ccc(nc1)F ct074fp3vp1de5 Cc1cc(cnc1)OC ct074fp3vp1de6 COc1ccc(nc1I)Cl ct074fp3vp1de7 CCOC(=O)c1ccncc1OC ct074fp3vp1de8 COc1cnccc1Cl ct074fp3vp1de9 Cc1c(c2c(cc1O)C(CC(O2)(C)CO)C)C un301 CC[C@H](C)[C@@H](C(=O)N1CCSC1)N un302 CCOc1ccc(c(n1)N)[N+](=O)[O-] cdp194fp3vp1fp2 Cc1cc2c(s1)Nc3ccccc3N=C2N4CCN(CC4)C fd140 CCOc1cc(ccc1c2cc3cc(c(cc3[nH]2)Cl)Cl)C(=O)NC4CC(NC(C4)(C)C)(C)C un303 Cc1ccc2c(c1)CCCC2(C)C a198vp1 c1cc(c(cc1C(=O)C2CC2)F)Br un304 c1c[nH]c(=O)cc1Br a007 CN(C)/C=C/c1cc(c(cc1[N+](=O)[O-])Cl)Cl un303vp1 CCOc1cc(ccc1C(=O)O)N un303vp2 CCOc1cc(ccc1C(=O)O)C#N un303vp3 CCOc1cc(ccc1C(=O)Cc2cc(c(cc2[N+](=O)[O-])Cl)Cl)C#N un303vp4 CCOc1cc(ccc1c2cc3cc(c(cc3[nH]2)Cl)Cl)C(=O)O un303vp5 c1ccc(cc1)Cc2ccc3ccccc3n2 un306 c1c[nH]c2c1c(cc(c2)Br)I un307 C#CCOc1cc(c(cc1Cl)Cl)Cl fd131vp1 C#CCOc1c(ccc(c1Cl)Cl)Cl fd131lit1 C#CCOc1ccc(c(c1Cl)Cl)Cl fd131lit2 C#CCOc1c(cc(cc1Cl)Cl)Cl fd131lit3 C#CCOc1cc(cc(c1Cl)Cl)Cl fd131lit4 C#CCOc1cccc(c1Cl)Cl fd131lit5 C#CCOc1ccc(cc1Br)Br fd131lit6 C#CCOc1cccc(c1Br)Br fd131lit7 C#CCOc1ccccc1[N+](=O)[O-] fd131lit8 C#CCOc1cccc(c1)[N+](=O)[O-] fd131lit9 C#CCOc1ccc(cc1)[N+](=O)[O-] fd131lit10 C#CCOc1ccc(cc1[N+](=O)[O-])Cl fd131lit11 C#CCOc1c(cccc1[N+](=O)[O-])[N+](=O)[O-] fd131lit12 C#CCOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] fd131lit13 C#CCOc1ccc(cc1)Cc2ccccc2 fd131lit14 C#CCOc1ccc2c(c1)OCO2 fd131lit15 CC(C)(C)c1ccc(cc1)OCC#C fd131lit16 COc1cccc(c1OCC#C)OC fd131lit17 Cc1cccc(c1)OCC#C fd131lit18 C#CCOc1cccc(c1)C(F)(F)F fd131lit19 C#CCSc1cccc(c1Cl)Cl fd131lit20 C#CCSc1ccc(c(c1)Cl)Cl fd131lit21 C#CCSc1ccc(cc1)[N+](=O)[O-] fd131lit22 C#CCSc1cc(c(cc1Cl)Cl)Cl fd131lit23 c1cc(c(cc1Cl)Cl)OCC#CI fd131lit24 c1cc(c(cc1OCC#CI)Cl)Cl fd131lit25 c1c(c(c(c(c1Cl)Cl)Cl)OCC#CI)Cl fd131lit26 C(C#CI)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl fd131lit27 c1ccc(cc1)/C=N/N un308 Cc1cccc(c1)/C=N/N un309 c1cc(ccc1/C=N/N)F un310 c1cc(ccc1/C=N/N)Br un311 c1cc(ccc1/C=N/N)Cl un312 c1cc(ccc1/C=N/N)C#N un313 c1cc(ccc1/C=N/N)N un314 c1cc(ccc1/C=N/N)O un315 Cc1ccc(cc1)/C=N/N un316 c1cc(cc(c1)Br)/C=N/N un317 c1cc(cc(c1)Cl)/C=N/N un318 c1cc(cc(c1)N)/C=N/N un319 c1cc(cc(c1)C#N)/C=N/N un320 c1cc(cc(c1)O)/C=N/N un321 CC(C)(C)c1nc(on1)Cl un322 c1cc(ccc1/C=N/O)C(=O)O un323 CC(C)(C)Oc1cccc(n1)CO un324 CC1(CC(CC(N1[O])(C)C)N2C(=O)C=CC2=O)C bc038de1 CC1(CC(CC(N1[O])(C)C)NC(=O)CI)C bc038de2 CC1(CC(CC(N1[O])(C)C)NC(=O)CBr)C bc038de3 CC1=CC(=O)C(=C(C1=O)C)C fpzz0112fp1de1 CCOC(=O)C(=O)CC(=O)CC(=O)C(=O)OCC un165lit1vp1 CCOC(=O)c1cc(=O)c(c(o1)C(=O)OCC)Br un165lit1vp2 CCOC(=O)c1c(c(=O)c(c(o1)C(=O)OCC)Br)Br un165lit1np CCOC(=O)c1cc(=O)cc(o1)C(=O)OCC un165lit1np2 Cc1cnc2cc(ccc2n1)[N+](=O)[O-] un324a C1CCC2(C1)C(=O)N=C(N2)N un325 c1ccc(cc1)C2C(=O)N=C(N2)N un326 CN1C(=O)C(=O)N=C1N un327 COc1cc(cc(c1O)O)/C=C/CO un328 c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)O)O un329 c1cc2cc(ccc2nc1)NC(=O)ON3C(=O)CCC3=O s041 Cc1c(ccc(=O)[nH]1)O f011de1 Cc1cc(c[nH]c1=O)O f011de2 Cc1cc(=O)[nH]cc1O f011de3 c1c(c(c(c(n1)Cl)Cl)N)Cl apfp001 c1c(c(c(c(n1)Cl)Br)N)Br apfp002 c1c(c(c(nc1Cl)Cl)Cl)N apfp003 c1(c(c(nc(c1Cl)Cl)Cl)Cl)N apfp004 c1c(c(c(nc1Cl)Cl)Br)N apfp005 c1(c(c(nc(c1Br)Cl)Cl)Br)N apfp006 CC1=NNC(=O)C1(C)Cl bc232vp1fp Cc1c(n2c(c(c(=O)n2c1=O)C)CSCC(=O)O)C bc232de1 Cc1c(n2c(c(c(=O)n2c1=O)C)CN)C bc232de2 c1ccc(cc1)NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] un330 C(C(=O)C(F)(F)F)S un331 CC(C)[C@@H](C(c1ccc(cc1)OC)(c2ccc(cc2)OC)N)N tj064 B([F-])(F)(F)F.c1n2c(n[n+]1c3c(c(c(c(c3F)F)F)F)F)CCC2 tj065 Cc1ccc(cc1)C2CNCCO2 tj066 c1ccc(cc1)c2c([n+](on2)[O-])C#N tj067 CC(C)(C)C(=O)Cn1cnc(c1Cl)Cl tj068 COc1c(c(c(cn1)Cl)N)Cl apfp007 COc1c(c(c(cn1)Br)N)Br apfp008 COc1cc(cc(c1O)O)/C=C/C(=O)O un332 c1cc(cc(c1)S(=O)(=O)O)O un333 c1c(c(c(c(n1)Cl)Cl)N)[N+](=O)[O-] apfp009 c1c(c(c(c(n1)Cl)Br)N)[N+](=O)[O-] apfp010 CCOc1c(c(c(cn1)Br)N)Br apfp011 c1c(c(c(c(n1)Br)Cl)N)[N+](=O)[O-] apfp012 c1c(c(c(c(n1)Br)Br)N)[N+](=O)[O-] apfp013 Cc1c(c(c(cn1)Br)N)Cl apfp014 c1c(c(c(c(n1)Br)[N+](=O)[O-])N)Cl apfp015 c1c(c(c(c(n1)Br)[N+](=O)[O-])N)Br apfp016 Cc1c(c(c(cn1)Cl)N)Br apfp017 Cc1cc2c(cc1C)nc(cn2)C rp017lit7de1 Cc1cnc2cc(c(cc2n1)Cl)Cl rp017lit7de2 c1c2c(cc(c1Cl)Cl)nc(cn2)C(=O)O rp017lit7de3 Cc1ccc2c(c1)ncc(n2)C rp017lit7de4 Cc1cnc2cc(ccc2n1)Cl rp017lit7de5 c1cc2c(cc1Cl)ncc(n2)C(=O)O rp017lit7de6 Cc1cnc2cc(ccc2n1)OC rp017lit7de7 COc1ccc2c(c1)ncc(n2)C(=O)O rp017lit7de8 Cc1cccc2c1ncc(n2)C rp017lit7de9 Cc1cnc2cc(ccc2n1)Br rp017lit7de10 Cc1cnc2ccc(cc2n1)Br rp017lit7de11 Cc1cnc2cc(ccc2n1)F rp017lit7de12 Cc1cnc2ccc(cc2n1)F rp017lit7de13 Cc1cnc2cc(ccc2n1)C(F)(F)F rp017lit7de14 Cc1cnc2c(n1)cccc2[N+](=O)[O-] rp017lit7de15 Cc1cnc2cc(c(cc2n1)F)F rp017lit7de16 Cc1cnc2c(ccc(c2n1)Br)Br rp017lit7de17 Cc1cnc2cc(c(cc2n1)OC)OC rp017lit7de18 Cc1cnc2c(n1)cccc2Cl rp017lit7de19 Cc1cnc2cccc(c2n1)Cl rp017lit7de20 Cc1cnc2c(n1)cccc2OC rp017lit7de21 Cc1cnc2cccc(c2n1)OC rp017lit7de22 Cc1cnc2cc(ccc2n1)C(C)(C)C rp017lit7de23 Cc1cnc2cc(c(cc2n1)[N+](=O)[O-])[N+](=O)[O-] rp017lit7de24 Cc1cnc2c(n1)cccc2F rp017lit7de25 Cc1cnc2cccc(c2n1)F rp017lit7de26 Cc1cnc2c(ccc(c2n1)OC)OC rp017lit7de27 Cc1cnc2cc(c(cc2n1)Br)Br rp017lit7de28 CCOc1ccc2c(c1)ncc(n2)C rp017lit7de29 Cc1cnc2c(n1)c(c(c(c2F)F)F)F rp017lit7de30 Cc1cnc2c(n1)cccc2Br rp017lit7de31 Cc1cnc2cccc(c2n1)Br rp017lit7de32 Cc1ccc(c2c1ncc(n2)C)C rp017lit7de33 CCn1c(=O)c(c(cn1)Cl)Cl fpzz0082fp11 c1ccc(cc1)Cn2c(=O)c(c(cn2)Cl)Cl fpzz0082fp12 c1c(cn[nH]c1=O)I fpzz0082fp13 c1(c(c(n[nH]c1=O)[N+](=O)[O-])Cl)Cl fpzz0082fp14 c1c(c(c(=O)n(n1)C2CCCCO2)Cl)Cl fpzz0082fp15 C1CN(CCN1)C2C=NNC(=O)C2Cl.Cl fpzz0082fp16 COCn1c(=O)c(c(cn1)Cl)Cl fpzz0082fp17 c1c(c(c(=O)[nH]n1)Cl)N2CCCNCC2 fpzz0082fp18 c1c(c(c(=O)n(n1)CC2CC2)Cl)Cl fpzz0082fp19 c1c(c(c(=O)n(n1)CO)Cl)Cl fpzz0082fp20 Cc1[nH]c2c(cccc2N)c(=O)n1 ct316fp9 c1cc2c(c(c1)[N+](=O)[O-])[nH]cnc2=O ct316fp10 c1cc(c2c(c1)nc([nH]2)CCl)C(=O)O ct316fp11 C[C@@H](C(=O)OC)NC(=O)c1cccc(c1N)[N+](=O)[O-] ct316fp12 CCCC[Sn](CCCC)(CCCC)c1ccc2ccccc2n1 ct318fp1 Cc1cc(ncn1)OC2CCN(CC2)C(=O)OC(C)(C)C ct356fp1 Cc1cc(ncn1)OCc2ccc(cc2)F ct356fp2 Cc1cc(ncn1)OCc2ccccc2 ct356fp3 Cc1cc(ncn1)N ct356fp4 Cc1cc(ncn1)Oc2ccccc2 ct356fp5 Cc1c(c(=O)nc[nH]1)I ct360fp1 Cc1c(c(=O)nc[nH]1)Cl ct360fp2 Cc1c(cncc1Br)F a114fp2 c1c(c(c(cn1)Br)C2(COC2)O)F a114fp3 c1c(c(c(cn1)Br)C=O)F a114fp4 CC(=O)c1c(cncc1Br)F a114fp5 c1cc(cnc1)Oc2cc(cnc2)F a114fp6 CCOC(=O)c1c(cncc1Br)F a114fp7 c1c(c(c(cn1)Br)C(=O)O)F a114fp8 C(c1c(nc(s1)Cl)Cl)O a116fp1a c1ccc(cc1)CSc2nc(c(s2)C=O)Cl a116fp2 Cc1cccnc1S(=O)(=O)N cdp003fp1 CN(C)c1c(cccn1)O cdp005fp1 CC(C)(C)OC(=O)NCCCOc1cccnc1F cdp005fp2 c1cc(c(nc1)C(=O)O)OC2CCC2 cdp006fp4 c1cc(c(nc1)C(=O)O)OCC(F)(F)F cdp006fp5 c1cc(c(nc1)CBr)Cl cdp023fp1 C[C@@H]([C@@H](c1ccccc1)O)N(C)C(=O)c2c(cccn2)Cl cdp027fp1a c1cc(c(nc1)C(=O)Nc2[nH]nnn2)Cl cdp027fp2a c1cc(c([n+](c1)[O-])Br)F cdp034fp1 c1cc(c(nc1)C2(CCC3(CC2)OCCO3)O)F cdp034fp2 CCCC[Sn](CCCC)(CCCC)c1c(cccn1)F cdp034fp3 CC(=O)Nc1c(cccn1)Cl cdp036fp8 c1c(cnc(c1Cl)N)Br cdp036fp9 c1cnc(c(c1I)Cl)N cdp036fp10 CCc1cn2cccc(c2n1)Cl cdp036fp11 c1cc(c(nc1)N=C=S)Cl cdp036fp12 c1c(cnc(c1F)N)I cdp047fp4 c1cnc(c(c1I)F)N cdp047fp5 Cc1c(n2cccc(c2n1)F)C(=O)C cdp047fp6 c1cc(c2nccn2c1)F cdp047fp7 c1cc(c(nc1)[N+](=O)[O-])CBr cdp051fp1 c1cc(c(nc1)[N+](=O)[O-])NC=O cdp057fp3 CC(C)(C)C(=O)Nc1cccnc1[N+](=O)[O-] cdp057fp4 c1cnc(c(c1N)I)N cdp074fp10 Cc1ccnc(c1)C(=O)NC(C)(C)C cdp081fp4 CCCCNc1nnc(s1)c2ccnc(c2)C cdp082fp4 Cc1cc(ccn1)C(=O)N2CCNC[C@@H]2C cdp082fp5 Cc1cc(ccn1)c2[nH]c3cc(cnc3n2)Br cdp082fp6 Cc1cc(ccn1)c2nc3c(o2)cccn3 cdp082fp7 Cc1cc(ccn1)c2[nH]c3cnccc3n2 cdp082fp8 CCNc1cc(ccn1)c2[nH]cnn2 cdp082fp9 Cc1cc(ccn1)c2[nH]c(nn2)N cdp082fp10 c1cnc(cc1OCC(F)(F)F)C(=O)O cdp085fp5 CC(C)(C)OC(=O)c1cc(ccn1)Cl cdp085fp6 CC(C)OC(=O)c1cc(ccn1)Cl cdp085fp7 c1ccc2c(c1)[nH]c(n2)c3cc(ccn3)Cl cdp085fp8 c1cc(ccc1CNC(=O)c2cc(ccn2)Cl)Cl cdp085fp9 c1ccc2c(c1)CCN2C(=O)c3cc(ccn3)Cl cdp085fp10 CN(C)CCNC(=O)c1cc(ccn1)Cl cdp085fp11 c1cnc(cc1Cl)C(=O)NCC2CC2 cdp085fp12 Cc1cccc(n1)NC(=O)c2cc(ccn2)Cl.Br cdp085fp13 c1cnc(cc1Cl)C(=O)NCCN2CCOCC2 cdp085fp14 c1cnc(cc1Cl)C(=O)Nc2[nH]nnn2 cdp085fp15 CC(C)(C)OC(=O)NCCNC(=O)c1cc(ccn1)[N+](=O)[O-] cdp090vp1fp3 c1cnc(cc1[N+](=O)[O-])C(=O)Nc2[nH]nnn2 cdp090vp1fp4 c1cc(ccc1CC(=O)Nc2ccnc(c2)Cl)Br cdp092fp12 CN1CCN(CC1)c2cc(ccn2)N cdp092fp13 c1cc(cc(c1)C(F)(F)F)C(=O)Nc2ccnc(c2)Cl cdp092fp14 CCOC(=O)c1c[nH]c2cc(ncc2c1=O)Cl cdp092fp15 c1ccc(cc1)CC(=O)Nc2ccnc(c2)Cl cdp092fp16 Cc1cccc2c1C(=O)N(C2=O)c3ccnc(c3)Cl cdp092fp17 c1cnc(cc1N)N2CCCC2 cdp092fp18 c1cnc(cc1N)N=[N+]=[N-] cdp092fp19 CCCC(=O)Nc1ccnc(c1)Cl cdp092fp20 c1ccc(cc1)C(=O)Nc2ccnc(c2)Cl cdp092fp21 c1ccc2cc(ccc2c1)C(=O)Nc3ccnc(c3)Cl cdp092fp22 CN(C)CCOc1cc(ccn1)N cdp092fp23 c1cnc(cc1N[N+](=O)[O-])Cl cdp092fp24 Cc1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl cdp092fp25 c1cc(sc1)C(=O)Nc2ccnc(c2)Cl cdp092fp26 c1cc(ccc1S(=O)(=O)Nc2ccnc(c2)Cl)Br cdp092fp27 CSc1cc(ccn1)N cdp092fp28 CNc1cc(ccn1)N cdp092fp29 CCCCOc1cc(ccn1)N cdp092fp30 c1cnc(cc1N2CCNC2=O)Cl cdp092fp31 CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCOc2ccnc(c2)Cl cdp096fp1 c1cnc(cc1OC2CCOCC2)Cl cdp096fp1a c1cnc(cc1Oc2cc(c(cc2Cl)[N+](=O)[O-])F)Cl cdp096fp2 c1cnc(cc1Oc2cc(c(cc2F)[N+](=O)[O-])F)Cl cdp096fp3 c1cc(cnc1)COc2ccnc(c2)Cl cdp096fp4 c1cnc(cc1Oc2cnccc2[N+](=O)[O-])Cl cdp096fp5 CS/C(=N/c1ccnc(c1)F)/NC#N cdp099fp6 c1ccc(cc1)NC(=O)Nc2ccnc(c2)F cdp099fp7 Cc1c(c(ccn1)O)I cdp100fp1 Cc1c(c(c(cn1)I)O)I cdp100fp2 CCCn1ccc(=O)cc1C cdp100fp3 Cc1cc(cc(n1)N)O cdp100fp4 Cc1c(c(ccn1)Br)[N+](=O)[O-] cdp100fp5 Cc1cc(=O)ccn1CC(=O)O cdp100fp6 CCOC(=O)c1c(sc(n1)n2ccc(cc2=O)c3ccccc3)C cdp103fp1 COc1ccccc1N2CCN(CC2)CCn3ccc(cc3=O)c4ccccc4 cdp103fp2 c1ccc(cc1)CNC(=O)c2ccnc(c2)Cn3ccc(cc3=O)c4ccccc4 cdp103fp3 Cn1ccc(cc1=O)c2ccccc2 cdp103fp4 c1cnc(cc1Cl)NC(=O)NCCCCl cdp104fp16 CCOC(=O)CCCNc1cc(ccn1)Cl cdp104fp17 c1c(c(c(c(n1)N)Br)Cl)Br cdp104fp18 c1cc(ccc1Nc2ccnc(c2)N)Oc3ccc(cc3)Cl cdp104fp19 c1cnc(cc1Cl)NC(=O)CCl cdp104fp20 CCNC(=O)Nc1cc(ccn1)Cl cdp104fp21 COc1cc(ccc1c2ccnc(c2)N)F cdp104fp22 COCC(=O)Nc1cc(ccn1)O cdp104fp23 CC1(OCC(O1)COc2ccnc(c2)N)C cdp104fp24 CCOC(=O)c1cnc2n1ccc(c2)Cl cdp104fp25 c1cnc(cc1OCCN2CCOCC2)N cdp104fp26 CC(C)N1CCN(CC1)CCOc2ccnc(c2)N cdp104fp27 CN1CCN(CC1)CCOc2ccnc(c2)N cdp104fp28 CCOC(=O)c1cnc2n1cc(cc2)Cl cdp104fp29 CCOC(=O)c1c(n2ccc(cc2n1)Cl)C(=O)OCC cdp104fp30 COC(=O)c1c(n2ccc(cc2n1)Cl)C(=O)OC cdp104fp31 c1cn2cc(nc2cc1Cl)C(Cl)Cl cdp104fp32 c1cc(cc(c1)Cl)C(=O)Nc2cc(ccn2)Cl cdp104fp33 c1ccc(cc1)c2nc3cc(ccn3n2)Cl cdp104fp34 CC(C)(C)C(=O)Nc1cc(ccn1)Cl cdp104fp35 Cc1cc(n(n1)c2ccnc(c2)N)C.Cl cdp104fp36 c1cc(ccc1N)Sc2ccnc(c2)N cdp104fp37 c1cc(c(cc1Cl)c2ccnc(c2)N)O cdp104fp38 c1cc(c(cc1F)F)c2cn3ccc(cc3n2)Cl cdp104fp39 c1cc(c(cc1C(=O)Nc2cc(ccn2)Cl)[N+](=O)[O-])F cdp104fp40 c1ccc(cc1)c2cc(=O)n3ccc(cc3n2)Cl cdp104fp41 CSc1ccnc(c1)N cdp104fp42 CCOC(=O)NC(=S)Nc1cc(ccn1)Cl cdp104fp43 c1cc(c(cc1[N+](=O)[O-])F)Oc2ccnc(c2)N cdp104fp44 c1cnc(cc1c2cnc(s2)N)N cdp104fp45 CN1CCN(CC1)c2ccnc(c2)N cdp104fp46 CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)N cdp104fp47 c1cnc(cc1N2CCC(=O)CC2)N cdp104fp48 Cc1ccc(n1c2cc(ccn2)Cl)C cdp104fp49 CN(C)c1ccnc(c1)N cdp104fp50 Cc1cc(ccc1Oc2ccnc(c2)N)[N+](=O)[O-] cdp104fp51 COc1ccc(cc1)C(=O)Cc2cc(ccn2)Br cdp107fp5 CCCC[Sn](CCCC)(CCCC)c1ccnc(c1)C cdp107fp6 Cc1cc(ccn1)c2ccc(cc2F)C#N cdp107fp7 CCOC(=O)Cc1cc(ccn1)Br cdp107fp8 Cc1ccc(cc1)C(=O)Cc2cc(ccn2)Br cdp107fp9 c1cc(ccc1C(=O)Cc2cc(ccn2)Br)F cdp107fp10 c1cc(ccc1C(=O)Cc2cc(ccn2)Br)Cl cdp107fp11 Cc1cc(ccn1)c2cccnc2F cdp107fp12 c1cnc(cc1Br)CBr cdp107fp13 Cc1cc(ccn1)c2ccc(c(c2)OC)OC cdp107fp14 Cc1cc(ccn1)n2ccnc2 cdp107fp15 Cc1cc(cc[n+]1[O-])Br cdp107fp16 Cc1cc(ccn1)c2ccc(cc2)C(F)(F)F cdp107fp17 Cc1cc(ccn1)C#C cdp107fp18 Cc1cc(ccn1)c2cc(cc(c2)[N+](=O)[O-])N cdp107fp19 Cc1cc(ccn1)Oc2ccc3c(c2)cc[nH]3 cdp107fp20 Cc1cc(cc(n1)CO)Br cdp107fp21 Cc1cc(ccn1)c2ccc(cc2)N cdp107fp22 Cc1cc(ccn1)C#C[Si](C)(C)C cdp107fp23 Cc1cc(ccn1)C2CC2 cdp107fp24 Cc1cc(ccn1)N[C@@H]2CCN(C2)C(=O)OC(C)(C)C cdp107fp25 c1cnc(cc1Br)C(Br)Br cdp107fp26 Cc1cc(ccn1)N2CCc3ccccc3C2 cdp107fp27 CC(C)(C)NC(=O)c1cc(ccn1)O cdp108fp1 CCCCOc1ccnc(c1)C(=O)O cdp108fp2 c1cnc(cc1OCC2CC2)C(=O)O cdp108fp3 COCCOc1ccnc(c1)C(=O)O cdp108fp4 c1cnc(cc1OCCC(F)(F)F)C(=O)O cdp108fp5 c1cnc(cc1OCCCF)C(=O)O cdp108fp6 CCCCCOc1ccnc(c1)C(=O)O cdp108fp7 c1ccc(cc1)COc2cc(ccn2)Cl cdp112fp9 c1ccc(cc1)COc2ccnc(c2)Cl cdp112fp10 c1ccc(c(c1)c2cc(ccn2)Cl)F cdp112fp11 c1cc(nc(c1Cl)c2cc(ccn2)Cl)F cdp112fp12 c1ccc2c(c1)C(=O)N(C2=O)CCCC#Cc3cc(ccn3)Cl cdp112fp13 COCC#Cc1cc(ccn1)Cl cdp112fp14 c1ccc(cc1)C(=O)c2c(ccnc2Cl)Cl cdp112fp15 CC(C)C(c1c(ccnc1Cl)Cl)O cdp112fp16 CNC(=O)c1cccc(c1)Nc2cc(ccn2)Cl cdp112fp17 c1cc(c(c(c1N)F)F)Oc2ccnc(c2)Cl cdp112fp18 c1cc(ccc1N)Oc2ccnc(c2)Cl cdp112fp19 c1cc(c(cc1Oc2ccnc(c2)Cl)F)N cdp112fp20 c1cc(ccc1N)Sc2ccnc(c2)Cl cdp112fp21 c1cc(cc(c1)Oc2ccnc(c2)Cl)N cdp112fp22 c1cnc(cc1Cl)NC(=O)N cdp112fp23 CC(C)C(=O)N1CCC(CC1)Oc2ccnc(c2)Cl cdp112fp24 CC(C)C(=O)N1CCC(CC1)Oc2cc(ccn2)Cl cdp112fp25 c1cc(ncc1N)Oc2ccnc(c2)Cl cdp112fp26 c1cc(c(cc1N)Cl)Oc2ccnc(c2)Cl cdp112fp27 CC(C)(C)OC(=O)N1CCN(CC1)c2ccnc(c2)Cl cdp112fp28 COC(=O)C(c1ccc(c(c1)Cl)Cl)C2CCCCN2 un334 c1ccc(cc1)CCN\2CCCC/C2=N\S(=O)(=O)c3ccc(cc3)Cl un335 CC12CC3CC(C1)(CC(C3)(C2)NC=O)C un336 c1cnc(cc1Cl)c2cc(sc2)C=O cdp112fp29 c1cnc(cc1Cl)c2ccsc2 cdp112fp30 c1ccc(cc1)COc2ccc(cc2)Oc3ccnc(c3)Cl cdp112fp31 Cc1ccnc(c1Oc2ccnc(c2)Cl)I cdp112fp32 Cc1c(cccn1)Oc2ccnc(c2)Cl cdp112fp33 Cc1ccc(cn1)Oc2ccnc(c2)Cl cdp112fp34 c1cc2cc(ccc2c(c1)C(=O)O)Oc3ccnc(c3)Cl cdp112fp35 CC(C)(C)OC(=O)N1CCN(CC1)c2cc(ccn2)Cl cdp112fp36 c1ccc(c(c1)C#N)c2cc(ccn2)Cl cdp112fp37 c1cnc(cc1OCC(F)(F)F)OCC(F)(F)F cdp112fp38 CCCNC(=O)c1cc(ccn1)Br cdp113fp4 COC(=O)CNC(=O)c1cc(ccn1)Br cdp113fp5 CC(C)(C)OC(=O)c1cc(ccn1)Br cdp113fp6 c1cnc(cc1Br)C(=O)N cdp113fp7 c1cnc(cc1Br)C(=O)N2CCOCC2 cdp113fp8 CC(=O)c1cc(ccn1)Br cdp113fp9 CN(C(=O)c1cc(ccn1)Br)OC cdp113fp10 c1cnc(cc1Br)C(=O)N2CCCC2 cdp113fp11 c1cnc(cc1Br)C(=O)NCCN2CCCC2 cdp113fp12 c1ccc(cc1)C#Cc2ccnc(c2)C(=O)O cdp113fp13 c1cnc(cc1Br)C(=O)Nc2[nH]nnn2 cdp113fp14 CNC(=O)c1ccnc(c1)[N+](=O)[O-] cdp114fp3 COC(=O)c1ccnc(c1)[N+](=O)[O-] cdp114fp4 c1ccc2c(c1)c(ccc2Oc3ccnc(c3)N)[N+](=O)[O-] cdp115fp1 COC(=O)c1cccc(c1Oc2ccnc(c2)N)F cdp115fp2 COc1cc(ccc1[N+](=O)[O-])Oc2ccnc(c2)N cdp115fp3 COc1cc(ccc1Oc2ccnc(c2)N)[N+](=O)[O-] cdp115fp4 Cc1cc(ccc1[N+](=O)[O-])Oc2ccnc(c2)N cdp115fp5 c1cc(ccc1c2cc(=O)n3ccc(cc3n2)O)Cl cdp115fp6 Cc1ccc(cc1)c2cc(=O)n3ccc(cc3n2)O cdp115fp7 c1ccc(cc1)c2cc(=O)n3ccc(cc3n2)O cdp115fp8 c1cnc(cc1OCCCCCBr)N cdp115fp9 CN(C)C(=O)Oc1ccnc(c1)N cdp115fp10 c1cnc(cc1OCCOCCOc2ccnc(c2)Br)Br cdp119fp9 c1ccc(cc1)COc2ccnc(c2)Br cdp119fp10 CC(C)(C)OC(=O)N1CCC(=CC1)c2cc(ccn2)c3ccccc3 cdp119fp11 CC(=O)Nc1ccc(cc1)c2cc(ccn2)c3ccccc3 cdp121fp1 c1ccc2c(c1)ccn2c3ccnc(c3)[N+](=O)[O-] cdp127fp1 Cc1cc(ccc1c2ccnc(c2)N)C#N cdp131fp9 Cc1ccccc1c2ccnc(c2)N cdp131fp10 CCOC(=O)NC(=S)Nc1cc(ccn1)Br cdp131fp11 CC(=O)Nc1cc(ccn1)Br cdp131fp12 B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)N cdp131fp13 c1cc(c(cc1F)c2ccnc(c2)N)O cdp131fp14 c1cnc(cc1Br)NC(=O)CCl cdp131fp15 c1c(c(cnc1N)I)Br cdp131fp16 CCNC(=O)Nc1cc(ccn1)Br cdp131fp17 c1cn2c(cc1Br)nc(n2)N cdp131fp18 c1cnc(cc1Br)NC(=O)CC2CC2 cdp131fp19 COCC(=O)Nc1cc(ccn1)Br cdp131fp20 CCC(=O)Nc1cc(ccn1)Br cdp131fp21 CN(C)c1cc(ccn1)Br cdp131fp22 C1CCCC2=C(CC1)C(=O)C3C(=N2)C=C(C=N3)Br cdp131fp23 C1CCC2=C(CC1)N=C3C=C(C=NC3C2=O)Br cdp131fp24 CCCC[Sn](CCCC)(CCCC)c1ccnc(c1)N cdp131fp25 COc1c(cccn1)c2ccnc(c2)N cdp131fp26 CN(C)/C=N/c1cc(ccn1)Br cdp131fp27 c1ccc(cc1)C(=O)Nc2cc(ccn2)Br cdp131fp28 CCOC(=O)c1cn2ccc(cc2n1)Br cdp131fp29 Cc1c(n2ccc(cc2n1)Br)C cdp131fp30 c1cc(ccc1S(=O)(=O)NC(=O)Nc2cc(ccn2)Br)Cl cdp131fp31 c1ccc(cc1)C(=O)N(c2cc(ccn2)Br)C(=O)c3ccccc3 cdp131fp32 c1ccc(cc1)c2cn3ccc(cc3n2)Br cdp131fp33 Cc1ccc(n1c2cc(ccn2)Br)C cdp131fp34 c1ccc(cc1)C(=O)NC(=S)Nc2cc(ccn2)Br cdp131fp35 C[Si](C)(C)C#Cc1ccnc(c1)N cdp131fp36 c1ccc(cc1)C(=O)NC(=S)Nc2cc(ccn2)Br cdp131fp37 c1cc(cnc1)c2ccnc(c2)N cdp131fp38 Cc1ccc(cn1)NC(=O)OC(C)(C)C cdp146fp5 Cc1ccc(cn1)NC(=O)c2ccc(c(c2)F)F cdp146fp6 Cc1ccc(cn1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C cdp146fp7 Cc1ccc(cn1)NC(=O)CCl cdp146fp8 CCC1(C(=O)N(C1=O)c2ccc(nc2)C)CC cdp146fp9 Cc1ccc(cn1)NC(=N)c2c(cccn2)Cl cdp146fp10 Cc1ccc(cn1)NC(=O)Oc2ccccc2 cdp146fp11 Cc1ccc(cn1)Nc2ccc(cn2)C(=O)OC cdp146fp12 Cc1ccc(cn1)Nc2c(ccc(c2F)F)C(=O)O cdp146fp13 Cc1ccc(cn1)NS(=O)(=O)c2ccc(cc2)C(C)(C)C cdp146fp14 Cc1ccc(cn1)NC(=S)N cdp146fp15 CCn1ccc(=O)c(c1C)O un337 Cc1ccc(nc1)C(=O)NN cdp147fp2 Cc1ccc(nc1)C(=O)NC(C)(C(C)C)C(=O)N cdp147fp3 Cc1ccc(nc1)C(=O)N(C)OC cdp147fp4 Cc1ccc(nc1)C2=NCCS2 cdp147fp5 Cc1ccc(nc1)C(=O)Nc2[nH]nnn2 cdp147fp6 COC(=O)c1ccc(cn1)S(=O)(=O)Cl cdp148fp1 CCN(CC)S(=O)(=O)c1ccc(nc1)C cdp148fp2 c1cc(ncc1[N+](=O)[O-])C(=O)Cl cdp165fp1 CCOC(=O)c1ccc(cn1)[N+](=O)[O-] cdp165fp2 c1cc(ncc1NO)C(=O)O cdp165fp3 Cc1c(n2cc(ccc2n1)c3ccccc3)C(=O)O cdp170fp3 CC(C)(C)OC(=O)N1CCC(CC1)COc2ccc(nc2)Cl cdp172fp5 CC(C)(C)OC(=O)N1CC(C1)Oc2ccc(nc2)Cl cdp172fp6 CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(nc2)Cl cdp172fp7 CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(nc2)Cl cdp172fp8 c1cc(ncc1OC[C@@H]2CO2)Cl cdp172fp9 c1cc(ccc1Oc2ccc(nc2)Cl)Br cdp172fp10 c1ccc(cc1)COc2ccc(nc2)Cl cdp172fp11 COc1ccc(cc1)COc2ccc(nc2)Cl cdp172fp12 CC(C)(C)COc1ccc(nc1)Cl cdp172fp13 CC(=O)Nc1cccc(c1)Oc2ccc(nc2)Cl cdp172fp14 c1cc(cc(c1)F)Oc2ccc(nc2)Cl cdp172fp15 COCOc1ccc(nc1)Cl cdp172fp16 CCOC(=O)COc1ccc(nc1)Cl cdp172fp17 c1cc(ncc1OCCBr)Cl cdp172fp18 COC(=O)COc1ccc(nc1)Cl cdp172fp19 COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)Cl cdp172fp20 c1cc(sc1)C(=O)Oc2ccc(nc2)Cl cdp172fp21 CC(C)c1ccc(cc1)S(=O)(=O)Oc2ccc(nc2)Cl cdp172fp22 CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(cn2)F cdp173fp1 c1ccc(cc1)C(C(=O)c2ccccc2)n3cc(ccc3=O)F cdp173fp2 C1C2C=CC1C3=C2C(=O)C=CC3=O un338 CSc1ccc(nc1)[N+](=O)[O-] cdp174fp1 CCOC(=O)C(c1ccc(nc1)[N+](=O)[O-])C(=O)OC(C)(C)C cdp174fp2 c1cc(ncc1N2CCNCC2)[N+](=O)[O-].Cl cdp174fp3 COC(=O)c1ccc(cc1Oc2ccc(nc2)[N+](=O)[O-])F cdp174fp4 c1cc(ncc1N2CCNCC2)[N+](=O)[O-] cdp174fp5 c1ccc(cc1)COc2ccc(nc2)Br cdp175fp7 c1cc(ncc1OCC2CC2)Br cdp175fp8 CC(C)COc1ccc(nc1)Br cdp175fp9 COCOc1ccc(nc1)Br cdp175fp10 Cc1ccc(cc1)S(=O)(=O)Oc2ccc(nc2)Br cdp175fp11 c1cc(ncc1OC(F)F)Br cdp175fp12 CC(C)(C)OC(=O)N1CC(C1)Oc2ccc(nc2)Br cdp175fp13 CC(C)(C)[Si](C)(C)Oc1ccc(nc1)Br cdp175fp14 c1cc(ncc1OC2CCOCC2)Br cdp175fp15 c1cc(ncc1OC2CCOC2)Br cdp175fp16 CNc1ccc(cn1)c2ccccc2 cdp178fp1 c1cc(ncc1Cl)CBr cdp179fp1 c1cc(ncc1Cl)C(Cl)Cl cdp179fp2 Cc1ccc(c[n+]1[O-])Cl cdp179fp3 c1cc(ncc1OCC2CC2)C(=O)O cdp183fp3 COC(=O)c1c(cc(cn1)Cl)Cl cdp183fp4 CN(C(=O)c1ccc(cn1)Cl)OC cdp183fp5 CN(C)C(=O)c1ccc(cn1)Cl cdp183fp6 CNC(=O)c1ccc(cn1)Cl cdp183fp7 CC(=O)c1ccc(cn1)c2ccccc2 cdp186fp1 CN(C(=O)c1ccc(cn1)F)OC cdp187fp4 CNC(=O)c1ccc(cn1)F cdp187fp5 c1cc(ncc1F)C(=O)NN cdp187fp6 c1cc(ncc1F)C(=O)CBr cdp187fp7 c1cc(ncc1F)C(=O)N cdp187fp8 c1cc(nc(c1)N2CCOCC2)N cdp104fp8a CCOC(=O)Nc1cccc(n1)F cdp104fp9a CC(C)(C)C(=O)Nc1cccc(n1)F cdp104fp10a CC(=O)Nc1cccc(n1)O cdp194fp7 c1cc(nc(c1)N)C(=O)N2CCOCC2 cdp203fp4 c1ccc2c(c1)[nH]c(n2)c3cccc(n3)N cdp203fp5 CN(C(=O)c1cccc(n1)c2ccccc2)OC cdp205fp6 Cc1cn2c(n1)cccc2Cl.Cl cdp206fp6 c1c(c(nc(c1[N+](=O)[O-])Cl)N)[N+](=O)[O-] cdp206fp7 CCOC(=O)c1cn2c(n1)cccc2Cl cdp206fp8 c1cc(nc(c1I)Cl)N cdp206fp9 c1cc2nccn2c(c1)Cl cdp206fp10 c1cc(nc(c1)N)c2ccco2 cdp206fp11 c1cc(nc(c1)N2CCCC2)N cdp206fp12 CCNc1cccc(n1)N cdp206fp13 CNc1cccc(n1)N cdp206fp14 C(C(=O)[O-])N(CP(=O)(O)O)N=O.[Na+] un339 CCn1ccc(=O)c(c1)O un340 CC(c1ccc(cc1)C(=O)c2cccs2)C(=O)O fd141 c1cc(nc(c1)Br)NCC2CCOCC2 cdp218fp3 CS(=O)(=O)Cc1cccc(n1)Br cdp218fp4 Cc1cc(cnc1)C(=O)N2CCCC2C.Cl cdp225fp4 Cc1cc(cnc1)C(=O)N2CCC(CC2)O cdp225fp5 Cc1cc(cnc1)C(=O)NC2CCN(CC2)Cc3ccccc3 cdp225fp6 Cc1cc(cnc1)C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C cdp225fp7 c1ccc2c(c1)cc3ccccc3c2/C=N\N bc025vp1 Cc1cc(cnc1)NC(=O)OC(C)(C)C cdp227fp3 Cc1cc(cnc1)NC(=O)Oc2ccccc2 cdp227fp4 CCOC(=O)Nc1cc(cnc1)NC(=O)OCC cdp230fp4 Cc1cnccc1NC(=O)OC(C)(C)C cdp257fp8 Cc1cnccc1C(=O)N(C)OC cdp263fp7 Cc1cnccc1C(=O)NC(C)(C)C cdp263fp8 Cc1cnccc1C(=O)Nc2cc(ccc2O)C(F)(F)F cdp263fp9 c1cncc2c1Nc3cnccc3S2 cdp273fp1 c1c(c(c(cn1)I)N)Cl cdp285fp5 COc1ccc(cc1OC2CCCC2)C(=O)Nc3ccncc3Cl cdp285fp6 Cn1ccc2c1c(ccc2)OCc3ccccc3 un109fp1 CCOC(=O)/C(=C/C(=O)c1c[nH]c2c1cc(cc2)Cl)/O md017fp11fp1 CC(=O)c1cn(c2c1cc(cc2)Cl)Cc3ccccc3 md017fp11fp2 c1cnc(cc1/C=C/c2ccnc(c2)C#N)C#N cia019fp1 c1ccc(cc1)NCc2ccnc(c2)C#N cia019fp2 c1cnc(cc1C2C3=C(CCC3=O)NC4=C2S(=O)(=O)CC4)C#N cia019fp3 Cn1c2ccccc2nc1c3cc(ncc3Cl)Cl cia024fp1 c1c(c(cnc1Cl)Cl)/C=N/O cia024fp2 Cc1cc(ccn1)CN2CCN(CC2)C(=O)OC(C)(C)C cia032fp2 Cc1cc(ccn1)/C=C/C(=O)OC(C)(C)C cia032fp3 Cc1cc(ccn1)c2[nH]c(cn2)C(F)(F)F cia032fp4 Cc1cc(ccn1)/C=N/CCCN2CCOCC2 cia032fp5 Cc1cc(ccn1)/C=N/CC2CC2 cia032fp6 CCOC(CC(C)(C)C#N)OCC a142vp1 CC(CC=O)C#N a142de1 CCC(CC=O)C#N a142de2 CC(C)C(CC=O)C#N a142de3 CC(C)(C)C(CC=O)C#N a142de4 c1ccc(cc1)C(CC=O)C#N a142de5 c1cc(c(cc1Cl)Cl)[N+]#N.c1cc(c(cc1Cl)Cl)[N+]#N.[Cl-][Zn+2]([Cl-])([Cl-])[Cl-] un341 CNCC1CCOC1.I cic001fp1 CC(=O)OCC1COCCO1 cic045fp1 Cc1cn(c(=N)s1)CC2COCCO2 cic045fp2 CC(C)(C)OC(=O)N1CCC(CC1)OCC2CC2 cic048fp5 C1CC1CS(=O)(=O)N cic048fp6 c1cc2c(cc1Cl)c(=O)oc(=O)n2CC3CC3 cic048fp7 c1cc(c(cc1C(=O)O)Cl)OCC2CC2 cic048fp8 c1c([nH]c(=O)n(c1=O)CC2CC2)N cic048fp9 C1CC1C[N+](=O)[O-] cic048fp10 c1ccc(cc1)COc2cc(c(cc2C(=O)O)Cl)OCc3ccccc3 f111fp1 COC(=O)C(Cc1c[nH]c2c1cccc2OCc3ccccc3)N vk081de1fp1 c1cncc2c1c(cc(=O)[nH]2)O f002de1fp4 CC(C)(C)OC(=O)N1CCc2c1cnc(c2)OC cin106de1fp1 CN(C)c1ccc(c2c1cccc2)NC(=S)NC3CCCCC3 bc066vp1 c1ccc(cc1)Oc2c[n+](ccc2[N+](=O)[O-])[O-] cdp259vp1fp4 CC(C)(C)OC(=O)c1cc(cnc1)Br cdp240vp1fp5 c1c(cncc1Br)C(=O)N2CCC2 cdp240vp1fp6 CC1(COC(=N1)c2cc(cnc2)Br)C cdp240vp1fp7 c1ccc2c(c1)cc(cn2)Oc3c(cc(cn3)[N+](=O)[O-])Cl cdp238vp1fp5 c1cc(c(cc1Oc2ccnc(c2)C(=O)N)F)N cdp104vp1fp1 c1cc(cc(c1)Oc2ccnc(c2)C(=O)N)N cdp104vp1fp2 c1cc(c(cc1N)F)Oc2ccnc(c2)C(=O)N cdp104vp1fp3 c1cc(ccc1N)Oc2ccnc(c2)C(=O)N cdp104vp1fp4 c1ccc(cc1)c2ccc(nc2)CN cdp180vp4fp1 c1cc(ccc1C2Cc3ccc(cc3OC2)O)O a160fp1 B(c1ccccc1c2ccccn2)(O)O hw001 Cc1ccc(c2c1cccc2)CCC(=O)O hw002 Cc1ccc(c2c1c(cc(n2)C)C)C hw003 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl hw004 Cc1cc(ccc1NC(=O)OC(C)(C)C)Br hw005 CC1(c2ccccc2I(O1)C(F)(F)F)C hw006 c1ccc2c(c1)C(=O)OI2C(F)(F)F hw007 c1(c(c(c(c(c1F)F)S(=O)(=O)[O-])F)F)OC(=O)C(F)(F)F.[Na+] un342 C1CNCCC12COC2 hw008 C1CC2(CNC1)COC2 hw009 C1C(=O)CO1 hw010 CC(C)(C)OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl hw011 c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCCC4C(=O)O hw012 c1ccc2c(c1)c(cn2CCCCCF)C(=O)NC34CC5CC(C3)CC(C5)C4 hw013 COc1ccc2c(c1)sc(n2)C(=O)OC a176fp1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 CCOC(=O)c1c(c2c(s1)cccn2)N cdp027vp1fp6 c1cc2c(c(=O)c3cc(ccc3[nH]2)Br)nc1 cdp027vp1fp7 C(=N)(N)NC(=N)N.Cl a132vp1fp1 c1cc2c[n+](ccc2cc1Br)[O-] un129fp1 c1cc(nc(c1Br)N)N abp001 Cc1ccnc(c1Cl)N acp001 Cc1ccc(c(n1)N)Cl acp002 c1c(cnc(c1Cl)N)C(=O)N acp003 c1c(cnc(c1Br)N)C(=O)N abp002 Cc1cc(nc(c1Cl)C)N acp004 c1c(cnc(c1Cl)N)C(=O)O acp005 c1c(cnc(c1Cl)N)I acp006 c1c(cnc(c1Br)N)N abp003 c1ccc(cc1)COc2cc(cnc2N)Cl acp007 c1c(c(nc(c1Br)Cl)N)[N+](=O)[O-] abp004 c1c(c(nc(c1Cl)Cl)N)[N+](=O)[O-] acp008 Cc1c(cc(c(n1)N)Cl)Br acp009 c1c(cnc(c1C#N)N)Cl acp010 CCc1ccnc(c1Br)N abp005 CCc1cc(ncc1Br)N abp006 CCc1ccnc(c1Cl)N acp011 CCc1cc(ncc1Cl)N acp012 CCc1c(cnc(c1Cl)N)Cl acp013 CCc1c(cnc(c1Br)N)Br abp007 c1cnc(c(c1C(F)(F)F)Br)N abp008 c1c(c(c(c(n1)N)Br)C(F)(F)F)Br abp009 c1cnc(c(c1C(F)(F)F)Cl)N acp014 c1c(c(cnc1N)Cl)C(F)(F)F acp015 c1c(c(c(c(n1)N)Cl)C(F)(F)F)Cl acp016 COC(=O)c1ccnc(c1Br)N abp010 COC(=O)c1cc(ncc1Br)N abp011 COC(=O)c1c(cnc(c1Br)N)Br abp012 COC(=O)c1ccnc(c1Cl)N acp017 COC(=O)c1cc(ncc1Cl)N acp018 COC(=O)c1c(cnc(c1Cl)N)Cl acp019 COc1cc(c(nc1)N)Br abp013 COc1cc(c(nc1)N)Cl acp020 Cc1c(cnc(c1[N+](=O)[O-])N)Cl acp021 C(CSSCCN)C(=O)O un343 Cc1ccc(cc1)NC(=S)C(=O)N f126de1 c1cc(ccc1NC(=S)C(=O)N)Cl f126de2 Cc1ccccc1NC(=S)C(=O)N f126de3 c1cc(ccc1NC(=S)C(=O)N)Br f126de4 Cc1cccc(c1)NC(=S)C(=O)N f126de5 c1cc(cc(c1)Cl)NC(=S)C(=O)N f126de6 c1ccc(c(c1)NC(=S)C(=O)N)Cl f126de7 c1cc(ccc1NC(=S)C(=O)N)F f126de8 COc1ccccc1NC(=S)C(=O)N f126de9 COc1cccc(c1)NC(=S)C(=O)N f126de10 Cc1cccc(c1NC(=S)C(=O)N)C f126de11 c1cc(c(cc1NC(=S)C(=O)N)Cl)Cl f126de12 c1cc(cc(c1)NC(=S)C(=O)N)C(F)(F)F f126de13 c1cc(cc(c1)Br)NC(=S)C(=O)N f126de14 c1cc(ccc1C(F)(F)F)NC(=S)C(=O)N f126de15 c1ccc(c(c1)NC(=S)C(=O)N)Br f126de16 c1ccc(c(c1)NC(=S)C(=O)N)F f126de17 c1cc(cc(c1)F)NC(=S)C(=O)N f126de18 Cc1ccc(c(c1)C)NC(=S)C(=O)N f126de19 c1cc(c(cc1Cl)Cl)NC(=S)C(=O)N f126de20 Cc1cc(c(c(c1)C)NC(=S)C(=O)N)C f126de21 Cc1cc(cc(c1)NC(=S)C(=O)N)C f126de22 Cc1ccc(cc1C)NC(=S)C(=O)N f126de23 c1cc(c(cc1Cl)NC(=S)C(=O)N)Cl f126de24 Cc1ccc(c(c1)NC(=S)C(=O)N)C f126de25 c1c(cc(cc1Cl)Cl)NC(=S)C(=O)N f126de26 c1cc(c(cc1NC(=S)C(=O)N)Cl)F f126de27 Cc1cccc(c1C)NC(=S)C(=O)N f126de28 c1cc(c(c(c1)Cl)NC(=S)C(=O)N)Cl f126de29 COc1ccc(cc1OC)NC(=S)C(=O)N f126de30 c1cc(c(cc1F)F)NC(=S)C(=O)N f126de31 c1ccc(c(c1)C(F)(F)F)NC(=S)C(=O)N f126de32 COc1ccc(c(c1)NC(=S)C(=O)N)OC f126de33 Cc1ccc(c(c1)NC(=S)C(=O)N)OC f126de34 COc1cc(cc(c1OC)OC)NC(=S)C(=O)N f126de35 Cc1ccc(cc1NC(=S)C(=O)N)Cl f126de36 COc1cc(cc(c1)OC)NC(=S)C(=O)N f126de37 c1cc(c(cc1NC(=S)C(=O)N)F)F f126de38 c1cc(c(c(c1)Cl)Cl)NC(=S)C(=O)N f126de39 COc1ccc(c(c1)OC)NC(=S)C(=O)N f126de40 c1c(cc(c(c1Cl)NC(=S)C(=O)N)Cl)Cl f126de41 Cc1ccc(cc1Cl)NC(=S)C(=O)N f126de42 c1c(cc(cc1C(F)(F)F)NC(=S)C(=O)N)C(F)(F)F f126de43 c1(c(c(c(c(c1F)F)F)F)F)NC(=S)C(=O)N f126de44 c1c(c(cc(c1Cl)Cl)Cl)NC(=S)C(=O)N f126de45 Cc1c(cccc1Cl)NC(=S)C(=O)N f126de46 c1cc(c(c(c1)F)NC(=S)C(=O)N)F f126de47 Cc1cc(ccc1NC(=S)C(=O)N)Cl f126de48 c1c(cc(cc1F)F)NC(=S)C(=O)N f126de49 c1c(cc(c(c1Br)NC(=S)C(=O)N)Br)Br f126de50 CCc1ccc(c(n1)N)Br abp014 CCc1c(ccc(n1)N)Br abp015 CCc1c(cc(c(n1)N)Br)Br abp016 CCc1ccc(c(n1)N)Cl acp022 CCc1c(ccc(n1)N)Cl acp023 CCc1c(cc(c(n1)N)Cl)Cl acp024 CCOC(=O)c1cc(c(nc1)N)Br abp017 CCOC(=O)c1cc(c(nc1)N)Cl acp025 Cc1c(cnc(c1Cl)N)Br acp026 c1cc(nc(c1Br)N)C(F)(F)F abp018 c1cc(nc(c1Cl)N)C(F)(F)F acp027 c1cc(nc(c1Cl)C(F)(F)F)N acp028 c1c(c(nc(c1Cl)N)C(F)(F)F)Cl acp029 c1c(c(nc(c1Br)N)C(F)(F)F)Br abp019 Cc1c(cnc(c1Br)N)[N+](=O)[O-] abp020 Cc1c(cnc(c1Cl)N)[N+](=O)[O-] acp030 c1c(c(cnc1N)Br)C#N abp021 c1c(c(cnc1N)Cl)C#N acp031 c1c(c(c(c(n1)N)Cl)C#N)Cl acp032 c1c(c(c(c(n1)N)Br)C#N)Br abp022 c1c(cnc(c1C(=O)O)C(=O)O)C(=O)O cdp082de2de1 Cc1cc([nH]c(=O)c1)C a006de1 c1ccc(cc1)COc2cccnc2O a006de2 CCc1ccnc(c1)O a006de3 CCc1cccc(n1)O a006de4 COc1cccc(n1)O a006de5 c1cc(c(nc1)O)I a006de6 Cc1cc(nc(c1Br)C)O a006de7 CCOC(=O)c1cccc(n1)O a006de8 c1c(cnc(c1F)O)F a006de9 Cc1cc(ncc1C)O a006de10 c1c(cnc(c1Br)O)F a006de11 Cc1ccnc(c1C)O a006de12 CCc1cccnc1O a006de13 Cc1cc(cnc1O)Cl a006de14 Cc1ccc(nc1O)C a006de15 c1c(cc(nc1O)Cl)Cl a006de16 Cc1cc(c(nc1)O)C a006de17 CCOc1ccc(nc1)N a007de1de1 CCOc1cccc(n1)OCC a007de1de2 CCOc1c(cccn1)N a007de1de3 CCOc1ccc(cn1)N a007de1de4 CCOc1cccnc1OCC a007de1de5 CCOc1ccc(nc1)OCC a007de1de6 CCOc1cccc(n1)C a007de1de7 CCOc1ccc(cn1)C a007de1de8 CCOc1cc(ccn1)C a007de1de9 CCOc1cncc(c1N)OCC a007de1de10 CCOc1c(cccn1)C a007de1de11 CCOc1c(c(ccn1)C)N a007de1de12 CCOc1cnccc1N a007de1de13 COC(=O)c1cc(nc(c1)O)O cdp263fp1de1 COC(=O)c1ccncc1F cdp263fp1de2 COc1cc(ccn1)C(=O)OC cdp263fp1de3 COC(=O)c1cc(ncc1Cl)Cl cdp263fp1de4 Cc1cc(cc(n1)O)C(=O)OC cdp263fp1de5 COC(=O)c1ccnc(c1)N2CCOCC2 cdp263fp1de6 COc1cc(c(cn1)N)C(=O)OC cdp263fp1de7 COC(=O)c1cc(nc(c1)C(=O)OC)C(=O)OC cdp263fp1de8 COC(=O)c1c(c(c(c(n1)Cl)Cl)N)Cl cdp263fp1de9 COC(=O)c1c(ccc(n1)Cl)Cl cdp263fp1de10 CCc1ccc(nc1)C(=O)OC cdp263fp1de11 COC(=O)c1c(cc(cn1)F)F cdp263fp1de12 COC(=O)c1ccc(cn1)c2ccccc2 cdp263fp1de13 COC(=O)c1c(cccn1)c2ccccc2 cdp263fp1de14 CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)C)F)CC(=O)O hw014 c1c(cc(c(c1[N+](=O)[O-])Cl)Br)[N+](=O)[O-] hw015 COc1ccc(c(n1)C(=O)OC)Cl cdp263fp1de15 COC(=O)c1cc(ccn1)O cdp263fp1de16 Cc1cc(cc(n1)C(=O)OC)Cl cdp263fp1de17 COC(=O)c1cc(c(nc1)Cl)Cl cdp263fp1de18 COc1c(cccn1)C(=O)OC cdp263fp1de19 Cc1ccc(c(n1)O)C(=O)OC cdp263fp1de20 COc1ccc(c(n1)OC)C(=O)OC cdp263fp1de21 COC(=O)c1ccc(nc1Cl)C(F)(F)F cdp263fp1de22 COC(=O)c1cc(c(nc1)O)Cl cdp263fp1de23 CCOc1c(cccn1)C(=O)OC cdp263fp1de24 COC(=O)c1cc(cnc1O)[N+](=O)[O-] cdp263fp1de25 COC(=O)c1ccc(nc1)I cdp263fp1de26 COC(=O)c1cc(cnc1O)Cl cdp263fp1de27 COC(=O)c1cc(c(nc1)O)[N+](=O)[O-] cdp263fp1de28 Cc1cc(c(cn1)C(=O)OC)O cdp263fp1de29 COC(=O)c1cnc(cc1Cl)Cl cdp263fp1de30 Cc1cc(ncc1C(=O)OC)C cdp263fp1de31 COC(=O)c1cccnc1[N+](=O)[O-] cdp263fp1de32 COC(=O)c1cncc(c1N)Br cdp263fp1de33 c1cc(nc(c1)C(Cl)(Cl)Cl)C(=O)O cdp183de1 c1cc(ncc1CCl)C(=O)O cdp183de2 c1c(cnc(c1[N+](=O)[O-])C(=O)O)[N+](=O)[O-] cdp183de3 CCOC(=O)c1cccnc1C(=O)O cdp183de4 CCOC(=O)c1ccc(nc1)C(=O)O cdp183de5 c1cc(nc(c1Br)O)Cl cdp236vp3de1 c1cc(nc(c1Br)O)C(=O)O cdp236vp3de2 Cc1ccnc(c1Br)O cdp236vp3de3 c1cnc(c(c1C(=O)O)Br)O cdp236vp3de4 Cc1c(cnc(c1[N+](=O)[O-])O)Br cdp236vp3de5 Cc1c(cnc(c1Br)O)[N+](=O)[O-] cdp236vp3de6 Cc1c(cc(c(n1)O)Br)[N+](=O)[O-] cdp236vp3de7 c1c(c(c(c(n1)O)[N+](=O)[O-])Cl)Br cdp236vp3de8 c1c(cnc(c1F)O)Br cdp236vp3de9 C1CC(=O)N(C1=O)OC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 bc366de18 C1CC(=O)N(C1=O)OC(=O)CCCCCN2C(=O)C=CC2=O bc366de19 C1CC(=O)N(C1=O)OC(=O)CCCN2C(=O)C=CC2=O bc366de20 Cc1cc(cc[n+]1[O-])C(=O)OC cdp082fp1fp1 COc1ccc(cc1S(=O)(=O)[O-])c2cnc(o2)c3cc[n+](cc3)Cc4ccc(cc4)C(=O)ON5CC(=O)CC5=O bc366de21 C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O bc366de22 c1cc(ccc1C=O)C(=O)ON2C(=O)CCC2=O bc366de24 c1cc(ccc1CNC(=O)CI)C(=O)ON2C(=O)CCC2=O bc366de26 c1ccc(cc1)COC(=O)NCC[C@@H](C(=O)ON2C(=O)CCC2=O)O bc366de27 CCC(=O)ON1C(=O)CCC1=O bc366de29 C1CSSC1CCCCC(=O)ON2C(=O)CCC2=O bc366de30 C1CC(=O)N(C1=O)OC(=O)C(F)(F)F bc366de31 c1cc(cnc1)C(=O)ON2C(=O)CCC2=O bc366de33 C1CC(=O)N(C1=O)OC(=O)CN2C(=O)C=CC2=O bc366de34 CC(=NNc1ccc(cn1)C(=O)ON2C(=O)CCC2=O)C bc366de35 CCCCCC(=O)ON1C(=O)CCC1=O bc366de39 CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)C(=O)ON3C(=O)CCC3=O bc366de40 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)F bc366de41 CCCCCCCC/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O bc366de42 CCCCCCCCCC(=O)ON1C(=O)CCC1=O bc366de43 CC(C)(C)OC(=O)N[C@@H](CO)C(=O)ON1C(=O)CCC1=O bc366de44 CC(C)(C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C bc366de45 CC(C)[C@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C bc366de46 CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)ON2C(=O)CCC2=O bc366de47 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(=O)OCc2ccccc2Br)C(=O)ON3C(=O)CCC3=O bc366de48 CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(cc1)OC)C(=O)ON2C(=O)CCC2=O bc366de49 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OCc2c(cccc2Cl)Cl)C(=O)ON3C(=O)CCC3=O bc366de50 CC(C)(C)OC(=O)N[C@@H](CC(=O)ON1C(=O)CCC1=O)C(=O)ON2C(=O)CCC2=O bc366de51 CC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C bc366de52 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)ON2C(=O)CCC2=O bc366de53 CC(C)(C)OC(=O)N[C@H](CO)C(=O)ON1C(=O)CCC1=O bc366de54 CCC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C bc366de55 CC(C)(C)OC(=O)N[C@@H](CSSC[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O bc366de56 c1cc(ncc1CC(=O)O)C(F)(F)F hw016 CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)ON1C(=O)CCC1=O bc366de57 CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)ON1C(=O)CCC1=O bc366de58 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)ON3C(=O)CCC3=O bc366de59 CC(C)(C)OC(=O)N[C@H](c1ccccc1)C(=O)ON2C(=O)CCC2=O bc366de60 CC(C)(C)OC(=O)N[C@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)ON2C(=O)CCC2=O bc366de61 CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)ON4C(=O)CCC4=O bc366de62 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)ON2C(=O)CCC2=O bc366de63 Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)ON2C(=O)CCC2=O)NC(=O)OC(C)(C)C bc366de64 Cc1ccc(cc1)S(=O)(=O)n2cc(nc2)C[C@H](C(=O)ON3C(=O)CCC3=O)NC(=O)OC(C)(C)C bc366de65 C1C[C@H](NC1)C(=O)ON2C(=O)CCC2=O bc366de66 c1ccnc(c1)C(=O)ON2C(=O)CCC2=O bc366de67 c1cnccc1C(=O)ON2C(=O)CCC2=O bc366de68 C1CCC(CC1)C(=O)ON2C(=O)CCC2=O bc366de69 c1cc(oc1)C(=O)ON2C(=O)CCC2=O bc366de70 c1ccc2cc(ccc2c1)C(=O)ON3C(=O)CCC3=O bc366de71 c1ccc2c(c1)cccc2C(=O)ON3C(=O)CCC3=O bc366de72 c1cc(sc1)C(=O)ON2C(=O)CCC2=O bc366de73 c1ccc(cc1)C2=NNC(=O)C2 bc232vp1de1 CCC1=NNC(=O)C1 bc232vp1de2 CC(C)C1=NNC(=O)C1 bc232vp1de3 CCC1C(=NNC1=O)C bc232vp1de4 CCCCC1C(=NNC1=O)C bc232vp1de5 CCCCC1=NNC(=O)C1 bc232vp1de6 c1ccnc(c1)C2=NNC(=O)C2 bc232vp1de7 C1C[C@@H](NC1)C(=O)ON2C(=O)CCC2=O bc366de74 c1cnc(cn1)C(=O)ON2C(=O)CCC2=O bc366de75 c1ccc2c(c1)ccc(n2)C(=O)ON3C(=O)CCC3=O bc366de76 C1CC1C(=O)ON2C(=O)CCC2=O bc366de77 c1ccc2c(c1)cc([nH]2)C(=O)ON3C(=O)CCC3=O bc366de78 C1CC(=O)N(C1=O)OC(=O)C23CC4CC(C2)CC(C4)C3 bc366de79 COc1cc(ccc1c2[nH]c3c(n2)cccn3)S(=O)C un344 C1CCC(C1)C(=O)ON2C(=O)CCC2=O bc366de80 C1CNCCC1C(=O)ON2C(=O)CCC2=O bc366de81 c1ccc2c(c1)c(c[nH]2)C(=O)ON3C(=O)CCC3=O bc366de82 c1cc([nH]c1)C(=O)ON2C(=O)CCC2=O bc366de83 c1cscc1C(=O)ON2C(=O)CCC2=O bc366de84 c1ccc2c(c1)Cc3ccccc3C2C(=O)ON4C(=O)CCC4=O bc366de85 c1cocc1C(=O)ON2C(=O)CCC2=O bc366de86 c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)OCO2 bc366de87 C1CC(CNC1)C(=O)ON2C(=O)CCC2=O bc366de88 C1CC(C1)C(=O)ON2C(=O)CCC2=O bc366de89 c1ccc2c(c1)cc(o2)C(=O)ON3C(=O)CCC3=O bc366de90 C1CCNC(C1)C(=O)ON2C(=O)CCC2=O bc366de91 C1CC(=O)N(C1=O)OC(=O)[C@@H]2CSCN2 bc366de92 c1ccc2c(c1)cc(s2)C(=O)ON3C(=O)CCC3=O bc366de93 C1CC(=O)N(C1=O)OC(=O)C2CC3CC2C=C3 bc366de94 c1ccc2c(c1)-c3ccccc3C2C(=O)ON4C(=O)CCC4=O bc366de95 c1ccc2c(c1)cncc2C(=O)ON3C(=O)CCC3=O bc366de96 c1cc2cc(ccc2nc1)C(=O)ON3C(=O)CCC3=O bc366de97 CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O bc366de98 CCCCC/C=C\C/C=C\CCCCCCCC(=O)ON1C(=O)CCC1=O bc366de99 CCCC(=O)ON1C(=O)CCC1=O bc366de100 CCCCCCCC(=O)ON1C(=O)CCC1=O bc366de101 c1cc(c2c(c1)oc(=S)[nH]2)C(=O)O c047de1 c1cc2c(c(c1)O)[nH]cnc2=O f008ade4 c1ccc2c(c1)c(=O)n3c(n2)CCC3 f008ade5 c1cc2c(c(c1)O)nc3n(c2=O)CCC3 f008ade6 c1cc2c(cc1Cl)nc3n(c2=O)CCC3 f008ade7 c1cc2c(cc1Cl)c(=O)n3c(n2)CCC3 f008ade8 c1cc2c(cc1Br)c(=O)n3c(n2)CCC3 f008ade9 c1cc(ccc1CCN\2CCCC/C2=N\S(=O)(=O)c3ccc(cc3)Cl)[N+](=O)[O-] hw016a c1ccc2c(c1)c(cn2CC3CCCCC3)C(=O)Oc4cccc5c4nccc5 hw017 c1ccc2c(c1)c(cn2CCCCCF)C(=O)Oc3cccc4c3nccc4 hw018 CCCCCn1cc(c2c1cccc2)C(=O)Oc3cccc4c3nccc4 hw019 Cc1cc(nc(c1C(=O)OC)Cl)Cl un345 c1cc(c(cc1Cl)C=O)OCc2cc(ccc2F)Cl un346 COc1ccc(cc1)C(C(=O)OC)N2CCCCC2 un347 Cc1ccc(cc1C(=O)OC)CNC(=O)OC(C)(C)C un348 CCOC(=O)CN1CC(c2c1cccc2)[N+](=O)[O-] un349 COC(=O)CCc1ccc(cc1)NS(=O)(=O)C un350 Cc1c(ccc(c1F)Cl)NC(=O)C(C)(C)C un351 CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)N un352 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SCCCCCCN un353 COCCOCOc1ccc(cc1CO)Cl un354 CCOC(=O)/C=C/c1ccc(nc1)Br un355 CC1(COC2(c3cc(ccc3NC2=O)[N+](=O)[O-])OC1)C un356 CC(C)(C)SC1CC(=O)c2c1cccc2 un357 c1ccc(cc1)n2c(=O)c3ccccc3[se]2 bc401 CC(c1cc2ccccc2s1)N(C(=O)N)O bc402 c1ccc(cc1)S(=O)c2ccc3nnnn3n2 bc403 c1ccc(cc1)[C@@H]2CCC[C@@H]2N/C/3=N/CCCCCCCCCCC3 bc404 c1nc(c2c(n1)n(cn2)C3CCCO3)N bc405 CCCCCCCCCCCCCCc1ccc(o1)C(=O)O bc406 c1c(c(cc(c1S(=O)(=O)N)Cl)N)C(=O)O un358 C=CC(=O)CCn1c2ccccc2c3c1cccc3 un359 CC1(C2CCC(C2)C1(C)NC)C.Cl bc407 CCCCN(CC)c1c2c(cn(c2ncn1)c3c(cc(cc3C)C)C)C.Cl bc409 c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5 bc410 CCNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O bc411 c1cc2c(cc1/C=C(\C#N)/C(=O)c3ccc(c(c3)O)O)[nH]c(=O)o2 bc412 CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl.Cl bc413 CN1CCN(CC1)c2ccc(cc2)Nc3c4ccccc4nc5c3cccc5.Cl.Cl bc414 c1ccnc(c1)Oc2ccccn2 bc416 c1c(cnc(c1C(F)(F)F)C#N)Br hw020 c1cc(ncc1C(F)(F)F)S(=O)(=O)O ct044fp2de13 c1cc(ncc1C(F)(F)F)S(=O)(=O)N ct044fp2de14 c1cc(nc(c1)Cl)S(=O)(=O)N ct044fp2de15 c1cc(cnc1)S(=O)(=O)N ct044fp2de16 c1cc(c(nc1)Cl)S(=O)(=O)N ct044fp2de17 Cc1ccc(c(n1)C)S(=O)(=O)N ct044fp2de18 Cc1cc(ncc1S(=O)(=O)N)C ct044fp2de19 Cc1cc(nc(c1S(=O)(=O)N)C)C ct044fp2de20 Cc1c(cccn1)S(=O)(=O)N ct044fp2de21 Cc1cc(c(nc1)C)S(=O)(=O)N ct044fp2de22 Cc1cncc(c1C)S(=O)(=O)N ct044fp2de23 Cc1cc(cnc1C)S(=O)(=O)N ct044fp2de24 Cc1cnccc1S(=O)(=O)N ct044fp2de25 Cc1cc(ccn1)S(=O)(=O)N ct044fp2de26 CC(C)(C)c1ccc(cc1)NC(=O)N2CCN(CC2)c3c(cccn3)Cl bc417 CC(=O)O.c1ccc2c(c1)nc3n2c(=O)c4cccc5c4c3ccc5C(=O)O bc418 c1ccc2c(c1)Sc3cccc(c3S2)c4cc(=O)cc(o4)N5CCOCC5 bc419 c1ccc(cc1)C(c2ccccc2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc3ccc(c(c3)[N+](=O)[O-])F bc420 c1ccc(cc1)[C@H](N)NC(=O)/C(=C/c2cccc(n2)Br)/C#N bc421 CC(C)(C)c1cc(cc(c1O)Br)C=C(C#N)C#N bc422 c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6 bc423 c1cc(ccc1c2[nH]c(=O)c3c(n2)CSCC3)C(F)(F)F bc424 Cc1ccc2c(c1)sc(n2)NC(=O)CSc3nc4c(c(=O)n3c5ccccc5)SCC4 bc425 C/C(=C(/C#N)\C(=O)Nc1cc(ccc1Br)Br)/O bc426 CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N bc427 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)n3ccnc3 bc428 c1ccc2c(c1)c(cc(c2N)Br)Br.Br dna332de1 c1ccc2c(c1)cc(cc2Br)Br dna332de2 c1ccc2c(c1)c(cc(c2N)Br)S(=O)(=O)O.Br dna332de3 c1ccc2c(c1)cc(cc2S(=O)(=O)O)Br dna332de4 c1ccc2c(c1)cc(cc2S(=O)(=O)O)O dna332de5 c1cc2c(cc1S(=O)(=O)O)c(cc(c2N)Br)Br.Br dna332de6 c1cc(cc2c1cc(cc2Br)Br)S(=O)(=O)O dna332de7 c1cc2c(cc1S(=O)(=O)O)c(c(cc2Br)Br)N.Br dna332de8 c1cc2c(cc1S(=O)(=O)O)cc(cc2Br)Br dna332de9 c1cc2c(c(c1)S(=O)(=O)O)c(cc(c2N)Br)Br.Br dna332de10 c1cc2cc(cc(c2c(c1)S(=O)(=O)O)Br)Br dna332de11 c1cc2c(cc(c(c2c(c1)S(=O)(=O)O)N)Br)Br.Br dna332de12 c1cc2c(cc(cc2Br)Br)c(c1)S(=O)(=O)O dna332de13 Cc1cc(c2ccccc2c1N)Br.Br dna332de14 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3.Cl bc429 c1cc(ccc1C(c2ccc(cc2)Cl)n3cc[n+](c3)CC(c4ccc(cc4Cl)Cl)OCc5ccc(cc5Cl)Cl)Cl.[Cl-] bc430 c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(c4ccc(cc4)F)c5cccc(c5)F bc431 c1cc2c(cc1F)c(c[nH]2)/C=C(/C(=O)O)\S bc432 c1ccc(cc1)CC(=O)Nc2c3ccccc3nc4c2CCN4Cc5ccccc5 bc433 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCCCCN.Cl bc434 c1cc2c(cccc2I)c(c1)S(=O)(=O)NCCCCCCCCN.Cl bc435 CCCCCCCCCCCCCCCC[n+]1ccn(c1C)Cc2ccccc2.[I-] bc436 c1c(c(c(cn1)[N+](=O)[O-])N)C(=O)O nap001 c1c(c(c(cn1)N)N)C(=O)O dap036 Cc1cc(c(c(n1)C)[N+](=O)[O-])N nap002 Cc1cc(c(c(n1)C)N)N dap037 CCc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N a021 Cc1c(c(c(cn1)[N+](=O)[O-])N)Br nap003 Cc1c(c(c(cn1)N)N)Br dap038 CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@H](C1=O)NC(=O)Nc3cccc(c3)NC)c4ccccn4 un361 C(c1c(c(c(c(c1Br)CBr)CBr)Br)CBr)Br un362 c1cc(cnc1)C2=NCCC2 un363 CCOC(=O)[C@H](CS)NC(=O)C un364 [B+3]([F-])([F-])([F-])[F-].c1cc(ccc1[N+]#N)S(=O)(=O)O un365 c1cc(cnc1)NC(=O)ON2C(=O)CCC2=O s041de1 Cc1ccncc1N(C)C ct051vp1fp2de1 CCNc1cnccc1C ct051vp1fp2de2 CCN(CC)c1cnccc1C ct051vp1fp2de3 Cc1ccncc1NC(C)C ct051vp1fp2de4 Cc1ccncc1N(C(C)C)C(C)C ct051vp1fp2de5 Cc1ccc(cn1)NC ct051vp1fp2de6 Cc1ccc(cn1)N(C)C ct051vp1fp2de7 CCNc1ccc(nc1)C ct051vp1fp2de8 CCN(CC)c1ccc(nc1)C ct051vp1fp2de9 Cc1ccc(cn1)NC(C)C ct051vp1fp2de10 Cc1ccc(cn1)N(C(C)C)C(C)C ct051vp1fp2de11 Cc1cc(cnc1)NC ct051vp1fp2de12 Cc1cc(cnc1)N(C)C ct051vp1fp2de12a CCNc1cc(cnc1)C ct051vp1fp2de13 CCN(CC)c1cc(cnc1)C ct051vp1fp2de14 Cc1cc(cnc1)NC(C)C ct051vp1fp2de15 Cc1cc(cnc1)N(C(C)C)C(C)C ct051vp1fp2de16 c1ccc2c(c1)-c3ccccc3C2COC(=O)NNc4ccc(cn4)C(=O)O a252vp3de1 CN(C(=O)Oc1cccc2c1cccc2)N=O un210de1 c1ccc(cc1)CN(c2ccccc2)N=O un210de2 C1CCN(CC1)N=O un210de3 CN(CC(=O)O)N=O un210de4 C1C[C@H](N(C1)N=O)C(=O)O un210de5 C(=O)Nc1c(nc(nc1Cl)N)Cl a246 COCC(=O)Nc1cc(ccc1NC(=N)NC(=O)OC)Sc2ccccc2 un366 CC1C(=O)NC(=O)NC1=O un367 CC1(C(C1(C)C)C(=O)c2cn(c3c2cccc3)CCCCCF)C un368 C1[C@H](N=C(S1)N)C(=O)O un369 CCCCCn1c2ccccc2c(n1)C(=O)NC34CC5CC(C3)CC(C5)C4 hw021 c1ccc2c(c1)c(nn2CCCCCF)C(=O)NC34CC5CC(C3)CC(C5)C4 hw022 CCCCCn1c2ccccc2c(n1)C(=O)N[C@@H](C(C)C)C(=O)N hw023 C/C=C/C(=O)NCC(=O)O un370 c1ccc2c(c1)c(c[nH]2)C(=O)C=O wh081de1 c1cc(cnc1)C(=O)C=O wh081de2 c1ccnc(c1)C(=O)C=O wh081de3 c1cscc1C(=O)C=O wh081de4 CC(C)CC(=O)C=O wh081de6 c1c(scn1)C(=O)C=O wh081de7 c1cnccc1C(=O)C=O wh081de8 c1cnc(cn1)C(=O)C=O wh081de9 c1ccc2c(c1)cc(s2)C(=O)C=O wh081de10 c1cc(sc1)C(=O)C=O wh081de11 c1cc2c(cc1C(=O)C=O)OCCO2 wh081de12 c1cc(oc1)C(=O)C=O wh081de13 c1ccc2cc(ccc2c1)C(=O)C=O wh081de14 c1ccc2c(c1)cccc2C(=O)C=O wh081de15 c1cc([nH]c1)C(=O)C=O wh081de16 C1CC1C(=O)C=O wh081de17 COc1cc(ccc1O)/C=N\N bc025vp1de1 COc1ccc(cc1O)/C=N\N bc025vp1de2 c1cc(c(cc1/C=N\N)O)O bc025vp1de3 c1cc(c(cc1Br)F)/C=N\N bc025vp1de4 c1cc(c(cc1/C=N\N)F)F bc025vp1de5 c1cc2cccnc2c(c1)/C=N\N bc025vp1de6 c1cc(cc(c1)C(F)(F)F)/C=N\N bc025vp1de7 c1ccc(c(c1)Nc2nc(nc(n2)Cl)Cl)Cl wh063de1 CC(C)Nc1nc(nc(n1)OC)NC(C)C wh063de2 Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)O wh063de3 CCNc1nc(nc(n1)Cl)N(CC)CC wh063de4 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCNCCCNCCN4C(=O)c5cccc6c5c(ccc6)C4=O un371 c1cc2ccc3ccc(c4c3c2c(c1)cc4)S un372 COc1ccc2cc(ccc2c1)C(=O)N dna307de1 c1cc(cc2c1cc(cc2)F)C(=O)N dna307de2 c1cc2cc(ccc2cc1C#N)F dna307de3 COc1cc2ccccc2cc1C(=O)N dna307de4 c1ccc2c(c1)ccc(c2Br)C(=O)N dna307de5 COc1c2ccccc2ccc1C(=O)N dna307de6 Cc1ccc(c2c1cccc2)C(=O)N dna307de7 c1cc2cccc(c2c(c1)C(=O)N)Br dna307de8 c1cc2cccc(c2c(c1)C#N)Br dna307de9 CCOc1ccc2ccccc2c1C(=O)N dna307de10 c1cc(cc2c1cc(cc2)Br)C(=O)N dna307vp1 Cc1c(c(c(nc1O)C)C#N)O rp289de1 Cc1c(c(c(c(n1)O)Cc2ccccc2)O)C#N rp289de2 CCN(CC)C(=O)c1cccc(c1)C(=O)O sol06 CCNC(=O)c1cccc(c1)C(=O)O sol06de1 CCOc1[nH]c(=O)c2c3c(sc2n1)CCCC3 wh210 CCOC(=O)Nc1c(c2c(s1)CCCC2)C#N wh211 CCOC(=O)C1=C(SCCC1)NC(=O)C(C)C wh212 CCOC(=O)C1=C(SCCC1)NC(=O)c2ccccc2 wh213 CCO/C=N\c1c(c2c(s1)CCCC2)C#N wh214 CCOC(=O)c1c(c(sc1NC(=O)c2ccccc2)NC(=O)c3ccccc3)C(=O)OCC wh215 CCOC(=O)c1cc(sc1N=P(c2ccccc2)(c3ccccc3)c4ccccc4)c5ccccc5 wh216 c1ccc(cc1)P(=Nc2c(c3c(s2)CCCC3)C(=O)N)(c4ccccc4)c5ccccc5 wh217 c1ccc(cc1)P(=Nc2c(c3c(s2)CCCC3)C#N)(c4ccccc4)c5ccccc5 wh218 CCOC(=O)c1c2c(sc1N=P(c3ccccc3)(c4ccccc4)c5ccccc5)CCCC2 wh219 COC(=O)C1=C(SCC1)N=P(c2ccccc2)(c3ccccc3)c4ccccc4 wh220 c1ccc(cc1)P(=NC2=C(CCS2)C#N)(c3ccccc3)c4ccccc4 wh221 CC1(CC2=C(C(C(=C(O2)N=P(c3ccccc3)(c4ccccc4)c5ccccc5)C#N)c6ccccc6)C(=O)C1)C wh222 c1ccc(cc1)C(=O)NNc2ccccc2 wh223 COc1ccc(c(c1)[N+](=O)[O-])C/C=N/NC(=O)N wh224 CCOC(=O)c1cnn(c1NC(=O)c2ccccc2)C(=O)c3ccccc3 wh225 CCOC(=O)NN(c1c(n(c(=O)n(c1=O)C)C)NC)C(=O)OCC wh226 Cn1c(c(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3)O wh227 c1c(cnc(c1[N+](=O)[O-])NN)[N+](=O)[O-] ct081vp1 CCN(CC)C(=O)c1cccc(c1)CO sol06de2 CCOP(=O)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl sol010 CC1C2=C(CC(CC2=O)(C)C)OC(=C1C(=O)OC)NC(=O)c3ccccc3 wh228 CC(C(=O)N)[N+](=O)[O-] un212vp2de1 c1c(cncc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] cdp234vp1 c1cnc(cc1S(=O)(=O)O)S(=O)(=O)O cdp234de1 c1c(c(cc(c1S)S)S)S un373 CCc1c(cc(nc1Cl)O)O un374 c1ccc2c(c1)c(=O)c3c(c2=O)c(c4c(c3N)c(=O)[nH]c4=O)N un375 c1cc(c(cc1N=C=O)F)I un376 CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccccc1OCCOc2ccccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C bc386de4 c1ccc(c(c1)N)OCCOc2ccccc2N bc386vp1 COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc2ccccc2N(CC(=O)OC)CC(=O)OC bc386vp2 COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)[N+](=O)[O-] bc386vp3 COC(=O)CN(CC(=O)OC)c1ccc(cc1OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)[N+](=O)[O-])[N+](=O)[O-] bc386vp3np CCOC(=O)C(C)Oc1cccc2c1cccc2 sol05vp2 CCNC(=O)C(C)Oc1cccc2c1cccc2 sol05 c1ccc(cc1)C(C(=O)O)Oc2cccc3c2cccc3 sol05vp1de1 CCCCC(C(=O)O)Oc1cccc2c1cccc2 sol05vp1de2 c1ccc2c(c1)cccc2OC(CC(=O)O)C(=O)O sol05vp1de3 CCCC(C(=O)O)Oc1cccc2c1cccc2 sol05vp1de4 CC(C(=O)OC)Oc1cccc2c1cccc2 sol05vp2de1 CC(C(=O)OC(C)(C)C)Oc1cccc2c1cccc2 sol05vp2de2 c1c(cc(c(c1Br)OCCOc2c(cc(cc2Br)Br)Br)Br)Br bc386de5 Cc1cccc(c1)OCCOc2cccc(c2)C bc386de6 c1ccc(c(c1)C=O)OCCOc2ccccc2C=O bc386de7 c1cc(ccc1C=O)OCCOc2ccc(cc2)C=O bc386de8 c1cc(ccc1N)OCCOc2ccc(cc2)N bc386de9 C(COc1c(c(c(c(c1Br)Br)Br)Br)Br)Oc2c(c(c(c(c2Br)Br)Br)Br)Br bc386de10 COC(=O)c1ccc(cc1)OCCOc2ccc(cc2)C(=O)OC bc386de11 Cc1ccc(cc1)OCCOc2ccc(cc2)C bc386de12 CCCCCCCCOCCOC(=O)CN(CC(=O)O)c1ccccc1OCCOc2ccccc2N(CC(=O)O)CC(=O)OCCOCCCCCCCC bc386de13 c1cc(ccc1O)OCCOc2ccc(cc2)O bc386de14 c1ccc(c(c1)CCl)OCCOc2ccccc2CCl bc386de15 CC(=O)c1ccc(cc1)OCCOc2ccc(cc2)C(=O)C bc386de16 Cc1ccccc1OCCOc2ccccc2C bc386de17 c1ccc(c(c1)OCCO)OCCOc2ccccc2OCCO bc386de18 c1cc(ccc1C(=N)N)OCCOc2ccc(cc2)C(=N)N bc386de19 c1cc(ccc1OCCOc2ccc(cc2)Br)Br bc386de20 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)C=O)N(CC(=O)OC)CC(=O)OC bc386de21 c1cc(cc(c1)OCCOc2cccc(c2)C=O)C=O bc386de22 COc1cc(ccc1OCCOc2ccc(cc2OC)C(=O)O)C(=O)O bc386de23 c1cc(ccc1OCCOc2ccc(cc2)Cl)Cl bc386de24 c1cc(cc(c1)OCCOc2cccc(c2)N)N bc386de25 c1cc(ccc1C#N)c2ccc(cc2)OCCOc3ccc(cc3)c4ccc(cc4)C#N bc386de26 c1cc(cc(c1)OCCOc2cccc(c2)[N+](=O)[O-])[N+](=O)[O-] bc386de27 B(c1c(cccn1)C)(O)O pb030 COc1ccccc1OCCOc2ccccc2OC bc386de28 c1ccc(c(c1)C(=O)O)OCCOc2ccccc2C(=O)O bc386de29 c1ccc(cc1)Nc2ccc(cc2)OCCOc3ccc(cc3)Nc4ccccc4 bc386de30 c1ccc(c(c1)OCCOc2ccccc2OCC(=O)O)OCC(=O)O bc386de31 CC(=O)c1ccccc1OCCOc2ccccc2C(=O)C bc386de32 COc1ccc(cc1)OCCOc2ccccc2 bc386de33 c1cc(ccc1C#N)OCCOc2ccc(cc2)C#N bc386de34 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OCCOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] bc386de35 c1ccc(cc1)c2ccccc2OCCOc3ccccc3c4ccccc4 bc386de36 CC(=O)Nc1ccc(cc1)OCCOc2ccc(cc2)NC(=O)C bc386de37 COC(=O)c1ccc(c(c1)Cl)OCCOc2ccc(cc2Cl)C(=O)OC bc386de38 c1ccc(cc1)COC(=O)c2ccc(cc2)OCCOc3ccc(cc3)C(=O)OCc4ccccc4 bc386de39 c1ccc(c(c1)CO)OCCOc2ccccc2CO bc386de40 c1cc(c(cc1OCCOc2ccc(c(c2)O)O)O)O bc386de41 c1cc(ccc1C(=O)OCCO)OCCOc2ccc(cc2)C(=O)OCCO bc386de42 c1ccc(cc1)OCCOc2ccc(cc2)[N+](=O)[O-] bc386de43 c1ccc(cc1)OCCOc2ccc(cc2)O bc386de44 c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3ccc(c(c3)Cl)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)S(=O)(=O)[O-].[Na+] un377 Cc1c(ccnc1N)Cl cdp192fp6de1 Cc1c(ccnc1N)Br cdp192fp6de2 Cc1ccc(nc1N)Cl cdp192fp6de3 Cc1c(ccnc1N)C(F)(F)F cdp192fp6de4 Cc1c(ccnc1N)OC cdp192fp6de5 Cc1ccc(nc1N)OC cdp192fp6de6 Cc1cc(nc(c1C)N)C cdp192fp6de7 Cc1cc(cnc1N)c2ccccc2 cdp192fp6de8 Cc1ccc(nc1N)c2ccccc2 cdp192fp6de8a c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCCCCCN un378 c1cc(c(cc1O)S(=O)(=O)O)O un150de11de1 Cc1cccc(c1)S(=O)(=O)O un150de11de2 Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] bc386de45 CC(C)(C)OC(=O)N1CC1 az012 CC(=O)N1CC1 az013 COP(=O)(N1CC1)OC az014 C1CCN(C1)C(=O)N2CC2 az015 C1CN1c2nc(nc(n2)N3CC3)N az016 C1CN1c2nc(nc(n2)N)N az017 COc1nc(nc(n1)N2CC2)N3CC3 az018 C1CN1C2=CC(=O)C(=CC2=O)N3CC3 az019 CCN(CC)C(=O)N1CC1 az020 C1CCC(CC1)NC(=O)N2CC2 az021 C1CN1CCC#N az022 c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N2CC2 az023 c1cc(ccc1Cc2ccc(cc2)NC(=O)N3CC3)NC(=O)N4CC4 az024 C=CC(CN1CC1)O az025 CCCCN1C(=O)c2cccc3c2c(ccc3Br)C1=O ab001 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccccc4C(=O)O)N(C)C.[Cl-] ab002 [B-]1([N-]2C=CC=C2C=C3[N+]1=CC=C3)(F)F ab003 c1ccc(cc1)C/C=N/O ab004 Cc1c2cc(c(cc2oc(=O)c1CC(=O)O)N)S(=O)(=O)O ab006 Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c2cc(c(cc2C)/N=N/c3ccc(cc3)N(CCO)CCO)OC ab007 C(C(=O)COP(=O)(O)O)O ab008 c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N ab009 c1c([nH]cn1)CCSC(=N)N ab010 C(CCCCCN)CCCCCS.Cl ab011 CC1(C(NC(=O)NC1=O)O)O ab012 c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O ab013 CN\1c2ccccc2O/C1=C\c3cc[n+](c4c3cccc4)CCC[N+](C)(C)C.[I-].[I-] ab014 CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c6ccc(cc6)O ab015 c1ccc(c(c1)COc2ccc3cc(ccc3c2)CC4C(=O)NC(=O)S4)F ab016 CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O ab017 Cc1cc2c(cc1N(C)C)[o+]c3cc(c4ccccc4c3n2)N.[Cl-] ab018 CC1(C=CC2=C(O1)C(=O)c3ccccc3C2=O)C ab019 c1cc(c(cc1Br)Br)Oc2cc(c(cc2Br)Br)Br ab020 c1c(cc(c(c1Br)Oc2cc(c(cc2Br)Br)Br)Br)Br ab021 C(C(C(=O)O)N)S(=O)O ab022 c1cc(cc(c1)S(=O)(=O)N)S(=O)(=O)N ab023 c1c(c(cc(c1Br)Br)Br)Oc2cc(c(cc2Br)Br)Br ab024 c1cc(ccc1N)OP(=O)(O)O ab025 c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br ab026 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN ab027 c1cc(c(cc1Br)Br)Oc2cc(ccc2Br)Br ab028 CC(=O)NCCCNCCCCN ab030 C(CCNCCCNCCCN)CN ab031 Cc1ccc(cc1)C(=O)/C=C/C(=O)O ab032 Cc1c(=O)n-2cc([nH]cc2n1)c3ccc(cc3)OC ab033 Cc1cc(=O)oc2c1ccc(c2)OS(O)(O)O ab034 CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)C(F)(F)F ab035 c1c(c(cc(c1N)N)N)N am001 c1ccc(cc1)N(c2ccc(cc2)N(c3ccc(cc3)N(c4ccccc4)c5cccc6c5cccc6)c7ccc(cc7)N(c8ccccc8)c9cccc1c9cccc1)c1cccc2c1cccc2 am003 c1ccc(cc1)N(c2ccc(cc2)/C=C/c3ccc(cc3)c4ccc(cc4)/C=C/c5ccc(cc5)N(c6ccccc6)c7ccccc7)c8ccccc8 am004 CCN(CC)c1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)N4N)N(CC)CC am005 CCCCCCCCn1c2ccccc2c3c1cccc3 am006 c1ccnc(c1)c2cc(cc(n2)c3ccccn3)c4ccncc4 am007 C1=C2C(=CNC2=O)C(=O)N1 am008 c1ccc2c(c1)nc3n2c(=O)c4ccc5c6ccc7c8c6c(ccc8c(=O)n9c7nc1c9cccc1)c1c5c4c3cc1 am009 c1ccc2c(c1)/C(=C\3/c4ccccc4NC3=O)/C(=O)N2 am010 CCO[Si](CCCOC(=O)C=C)(OCC)OCC am011 CC1(c2ccccc2N(C13C=Cc4cc(ccc4O3)[N+](=O)[O-])CCC(=O)O)C am012 CCCCCCc1cc(sc1)[Sn](CCCC)(CCCC)CCCC am013 CC(C)(c1ccc(cc1)C(CCC[NH+]2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O.[Cl-] sol09vp1 c1cc2c(ccc(c2cc1O)F)O un379 CN(C)c1ccc(c(c1)O)C(=O)c2cc(ccc2C(=O)O)C(=O)O un380 c1c(c(c(cn1)Br)I)Br un381 CCOC(=O)c1cc(c2ccccc2n1)O qn036vp1 c1ccc2c(c1)c(cc(n2)C(=O)O)O qn036vp2 CC(C)c1cc(cc(c1O)C(C)C)[N+](=O)[O-] un382 CC(=O)Oc1ccc(cc1)N=C2C=CC(=O)C=C2 f202 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C(\Cc3cccs3)/C(=O)O.CS(=O)(=O)O sol03vp C1COc2c1c(c3c(c2Br)CCO3)CCN.Cl un383 C(CC(C(F)F)(C(=O)O)N)CNC(=N)N un384 CC1C2=C(CC(CC2=O)(C)C)OC(=C1C(=O)OC)N=P(c3ccccc3)(c4ccccc4)c5ccccc5 wh229 CCO/C=N/C1=C(C(C2=C(O1)CC(CC2=O)(C)C)c3ccccc3)C#N wh230 Cn1c(cc(=O)n(c1=O)C)/N=C/N(C)C wh231 Cn1cc(c(=O)n(c1=O)C)[N+](=O)[O-] wh232 CN1C(=O)C2(CC2)C(=O)N(C1=O)c3ccccc3 wh233 CCOc1nc2c(c3c(s2)CCCC3)c(n1)Cl wh234 C1CCc2c(c3c(=O)[nH]c(=O)[nH]c3s2)C1 wh235 c1nc2c(c3c(s2)CCCC3)c4n1nc(n4)N wh236 CCOC(=O)C1=C(SCC1)NC(=O)c2ccccc2 wh237 CCOC(=O)C1=C(OC(C1)(C)C)NC(=O)c2ccccc2 wh238 c1cc(c(cc1Cl)Cl)c2nnc(nn2)c3ccc(cc3Cl)Cl wh239 Cn1c2c(c(=O)cc([nH]2)NC(=O)C3CC3)c(=O)n(c1=O)C wh240 CC1(CC2=C(C(c3c4nc(nn4cnc3O2)N)c5cccs5)C(=O)C1)C wh241 CCOC(=O)C1=C(N2CCNC2=C(C1C)C(=O)OCC)C wh242 c1ccc(cc1)c2nc3c(c(=O)o2)CCCC3 wh243 CCOC(=O)C1=C(CCCC1)NC(=O)c2ccccc2 wh244 c1ccc(cc1)C(=O)C[n+]2ccccc2.[I-] jmc017 c1ccc(cc1)c2ccc(cc2)N=C=S jmc018 CC(C)(C)OC(=O)NCCOS(=O)(=O)C jmc019 c1ccc(cc1)/C=C/2\COc3ccccc3C2=O jmc020 c1ccc(cc1)COC(=O)N2C(=O)CCC2=O jmc021 CC(C)(C)[Si](C)(C)Oc1cccc(c1)N jmc022 c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCN jmc023 c1ccc(cc1)/C=C/2\C(=O)c3ccccc3O2 jmc024 c1cc2c(cc1O)oc3cc(cc(c3c2=O)O)O jmc025 CC(=O)c1c(cc(cc1OCOC)OCOC)O jmc026 c1ccc(cc1)S(=O)(=O)c2c(n(=O)on2)S(=O)(=O)c3ccccc3 jmc027 c1ccc(cc1)c2[nH]c3c4cccnc4c5c(c3n2)cccn5 jmc028 CCOP(=O)(CS(=O)(=O)c1ccccc1)OCC jmc029 c1ccc(cc1)CNC(=O)Nc2ccccc2 jmc030 COc1cc(nc2c1cccc2)OC jmc031 c1cc(ccc1/C=N/O)C(F)(F)F jmc032 c1ccc(cc1)CC(=O)c2cccc3c2cccc3 jmc033 c1ccc(c(c1)OCC(=O)O)I jmc034 CCCCc1cc2ccccc2[nH]1 jmc035 c1cc(ccc1C[N+](=O)[O-])Cl jmc036 CC1(C=Cc2c(c3ccccc3n(c2=O)C)O1)C jmc037 C1CCC(=CC1)CCO jmc038 CC(C)CNNC(=O)OC(C)(C)C jmc039 c1ccc(cc1)Cc2cccc(c2)C(=O)O jmc040 COc1ccc(cc1)Cc2cc(ccc2Cl)Br jmc041 c1ccc2c(c1)c(cnc2C(=O)O)Cl jmc042 CC(c1ccccc1)C(=O)N jmc043 c1cc(ccc1N(CCl)CCl)O jmc044 CCOC(=O)C(Cc1ccc(cc1)[N+](=O)[O-])C(=O)OCC jmc045 c1cc(cc(c1)Cl)/C=N/O jmc046 c1ccc(cc1)C#N=O jmc047 c1cc(ccc1C#N=O)Cl jmc048 Cc1ccc(cc1)S(=O)(=O)OCCCCCO jmc049 COc1cccc2c1cc[n+](c2)[O-] jmc050 c1cc(ccc1[N+]#N)Br.[Cl-] jmc051 c1cc(ccc1[N+]#N)F.[Cl-] jmc052 C[N+](C)(C)CCCS(=O)(=O)[O-] jmc053 c1ccc(cc1)C(c2ccccc2)C3CCNCC3 jmc054 c1cc(c(cc1N2CCOCC2)N)N jmc055 c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)F)N jmc056 c1cc(ccc1NC(=O)CBr)[N+](=O)[O-] jmc057 c1cc(ccc1NC(=O)/C=N/O)Cl jmc058 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCBr jmc059 CCCCNC(=O)CBr jmc060 Cc1cccc(n1=O)Br jmc061 COc1ccccc1N2CCN(CC2)CCCCN3C(=O)c4ccccc4C3=O jmc062 CC(C)(C)[Si](C)(C)OCCCCCC=O jmc063 CCOC(=O)C(=C)C(c1ccc(cc1)Cl)O jmc064 C=CCNc1ccc(cc1)[N+](=O)[O-] jmc065 c1ccc2c(c1)C(=O)c3ccsc3C2=O jmc066 c1ccc2c(c1)c3ccccc3n2CCCCBr jmc067 COc1cc(cc(c1OC)OC)C=C jmc068 c1ccc(cc1)Sc2ccncc2 jmc069 Cc1ccc(c(c1)S)O jmc070 c1c(ccc(c1)F)/C=C\2/C(=O)/C(=C/c3ccc(cc3)F)/CCC2 jmc071 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)N jmc072 CC(C)(C)[Si](C)(C)OCC(=O)CO[Si](C)(C)C(C)(C)C jmc073 c1cc(c(cc1N2CCN(CC2)CCCCN)Cl)Cl jmc074 CC(=O)c1ccc(cc1O)OCOC jmc075 Cc1cccc(c1SSc2c(cccc2C)C)C jmc076 c1ccc2c(c1)C(=O)c3ccoc3C2=O jmc077 CCOC(=O)C(=C)C(C)O jmc078 c1cc(cc(c1)I)C(=O)ON2C(=O)CCC2=O jmc079 c1ccc(cc1)c2c(n(=O)on2)CO jmc080 C[Si](C)(C)C#CC#C jmc081 c1ccc2c(c1)c(c3ccccc3n2)NCCN jmc082 c1ccc2c(c1)c(c3ccccc3n2)NCCCCN jmc083 c1ccc(cc1)n2ccc3c2ccc(c3)Br jmc084 CCCCCCCCC(CCCCCCCC)C(=O)O jmc085 CC1=C(C(=O)c2ccccc2C1=O)C jmc086 C(CCC=O)CCO jmc087 Cc1cc(cc2c1c(cc(=O)o2)C)O jmc088 C1CCC(CC1)C(=O)NO jmc089 CNC1=CC(=O)c2ccccc2C1=O jmc090 c1cc(ccc1c2ccc(cc2)OCCO)OCCO jmc091 c1cc2c(ccnc2cc1Cl)NCCCCN jmc092 C1CCN(C1)CC#CCN2CCCC2=O jmc093 c1ccc(cc1)C=C(C(=O)O)C(=O)O jmc094 C[Si](C)(C)c1ccc(cc1)O jmc095 CC(=O)c1ccc2c(c1O)C=CC(O2)(C)C jmc096 c1cc([nH]/c(=N/N)/c1)C(=O)N un385 CCOP(=S)(OCC)Oc1ccc2c(c(c(=O)oc2c1)Cl)C wh086 COC(=O)c1ccccc1S(=O)(=O)N=C=O jmc097 CCCCCCCCCCOS(=O)(=O)C jmc098 C(CS)C(=O)N jmc099 CN(C)C1=CC(=O)c2ccccc2C1=O jmc100 C/C(=N\Nc1ccccc1)/c2ccccn2 jmc101 C(CS(=O)(=O)O)NCl jmc102 Cn1cc(cc1C(=O)NCCCN(C)C)[N+](=O)[O-] jmc103 C(C(=O)C(=O)O)S jmc104 C/C(=N\Nc1ccccc1)/c2ccc(cc2)Cl jmc105 c1ccc(cc1)C2Nc3ccccc3C(=O)N2c4ccccc4 jmc106 CC(=CCc1cc(c(cc1O)O)C(=O)C)C jmc107 c1ccc(cc1)[P+](CCCCCCO)(c2ccccc2)c3ccccc3.[Br-] jmc108 CC(=CCc1c(ccc(c1O)C(=O)C)O)C jmc127 CC(=O)c1cc2c(cc1O)OC(CC2)(C)C jmc109 c1cc2c(ccnc2cc1Cl)NCCCCCCN jmc110 COc1ccc(cc1)c2ccc(o2)c3ccc(cc3)OC jmc111 c1ccc(cc1)C#Cc2cccc(c2)C#Cc3ccccc3 jmc112 c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O)O jmc113 Cn1c2ccccc2cc-3c4ccccc4nc13 jmc114 CC(C)(C)[Si](C)(C)OCc1ccc(cc1)O jmc115 CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F jmc116 COc1ccc(cc1)COCCCO jmc117 c1ccc(cc1)Nc2cc(=O)[nH]c(=O)[nH]2 jmc118 Cc1ccc2c(c1)ccn2C jmc119 CC(=CC(=O)Nc1ccccc1)C jmc120 CN1CCc2cc(c(cc2C1)O)OC jmc121 c1ccc(cc1)[P+](CCCO)(c2ccccc2)c3ccccc3.[Br-] jmc122 c1ccc2c(c1)[nH]c(n2)SSc3[nH]c4ccccc4n3 jmc123 COc1ccc(cc1)COCCC=O jmc124 C=CC(Cc1ccccc1)O jmc125 c1cc2c(ccc3c2c(c1)C(=O)C3=O)Br jmc126 C[Si](C)(C)C#CCc1ccccc1 jmc128 c1ccc(cc1)COc2cccc(c2OCc3ccccc3)C(=O)O jmc129 C=CCC(c1ccc2ccccc2c1)O jmc130 COc1ccc(cc1)Nc2ccccn2 jmc131 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 jmc132 CS(=O)(=O)OCCCc1ccccc1 jmc133 c1ccc(cc1)C#CCCCCO jmc134 CC(C)(C)[Si](C)(C)Oc1ccc(cc1)C(=O)O jmc135 C=CC1CCC(C(C1)O)O jmc136 Cc1ccc(nn1)c2ccccc2 jmc137 CC(C)(C)[Si](C)(C)OCC#CCO jmc138 c1ccc(cc1)c2cn(nn2)Cc3ccc(cc3)[N+](=O)[O-] jmc139 c1ccc(c(c1)C(=O)NCCCCCCCC(=O)[O-])O.[Na+] un386 CCNC(=O)c1cccc(c1)C sol07 CC(=C)C1CCC(=CC1)C(=O)ON2C(=O)CCC2=O bc366de102 CCCC(CCC)C(=O)ON1C(=O)CCC1=O bc366de103 CN(C)c1cccc(c1)C(=O)ON2C(=O)CCC2=O bc366de104 C1CC(=O)N(C1=O)OC(=O)CC[N+](=O)[O-] bc366de105 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)N bc366de106 c1c(nc[nH]1)/C=C/C(=O)ON2C(=O)CCC2=O bc366de107 c1cc(oc1)CNc2cc(c(cc2C(=O)ON3C(=O)CCC3=O)S(=O)(=O)N)Cl bc366de108 CCCCc1ccc(nc1)C(=O)ON2C(=O)CCC2=O bc366de109 CC(=O)N[C@@H](CS)C(=O)ON1C(=O)CCC1=O bc366de111 CCn1cc(c(=O)c2c1nc(cc2)C)C(=O)ON3C(=O)CCC3=O bc366de112 c1ccc(c(c1)C(=O)ON2C(=O)CCC2=O)Nc3cccc(c3)C(F)(F)F bc366de113 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)ON2C(=O)CCC2=O bc366de114 CS(=O)c1ccc(cc1)/C=C\2/C=C(c3c2ccc(c3)F)CC(=O)ON4C(=O)CCC4=O bc366de115 c1cc(ccc1C(=O)N[C@@H](CCC(=O)ON2C(=O)CCC2=O)C(=O)O)NCc3c[nH]c-4nc(nc(=O)c4n3)N bc366de25 Cc1c(cccc1Cl)Nc2ccccc2C(=O)ON3C(=O)CCC3=O bc366de116 CC(C)Cc1ccc(cc1)C(C)C(=O)ON2C(=O)CCC2=O bc366de117 CC(C(=O)ON1C(=O)CCC1=O)O bc366de118 CC(=O)Oc1ccccc1C(=O)ON2C(=O)CCC2=O bc366de119 C1CC(=O)N(C1=O)OC(=O)/C=C\C(=O)ON2C(=O)CCC2=O bc366de120 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)ON4C(=O)CCC4=O bc366de121 c1ccc(c(c1)C(=O)ON2C(=O)CCC2=O)N bc366de122 C1CC(=O)N(C1=O)OC(=O)CO bc366de123 CCCCC(=O)ON1C(=O)CCC1=O bc366de124 CC(C)C(=O)ON1C(=O)CCC1=O bc366de125 C/C=C/C=C/C(=O)ON1C(=O)CCC1=O bc366de126 CNCC(=O)ON1C(=O)CCC1=O bc366de127 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)ON3C(=O)CCC3=O bc366de128 C[C@H](CCC(=O)ON1C(=O)CCC1=O)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C bc366de129 C1CC(=O)N(C1=O)OC(=O)CN(CCO)CCO bc366de130 C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)ON5C(=O)CCC5=O bc366de131 CCCCCCC(=O)ON1C(=O)CCC1=O bc366de132 CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCNCC3)C(=O)ON4C(=O)CCC4=O bc366de133 C1CC(=O)N(C1=O)OC(=O)CNC(=O)CN bc366de134 CCCCCCCCC(=O)ON1C(=O)CCC1=O bc366de135 Cc1cccc(c1C)Nc2ccccc2C(=O)ON3C(=O)CCC3=O bc366de139 c1cc(ccc1C(=O)ON2C(=O)CCC2=O)N bc366de140 C1CC(=O)N(C1=O)OC(=O)CCCN bc366de141 c1ccc(cc1)C[C@@H](C(=O)ON2C(=O)CCC2=O)N bc366de142 CCCCC(C(=O)ON1C(=O)CCC1=O)O bc366de143 CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)N bc366de144 C[C@@H](C(=O)ON1C(=O)CCC1=O)N bc366de145 C1CC(=O)N(C1=O)OC(=O)CCN bc366de146 C1CC(=O)N(C1=O)OC(=O)CCCCCN bc366de147 CC(C)C[C@@H](C(=O)ON1C(=O)CCC1=O)N bc366de148 C1CC(=O)N(C1=O)OC(=O)CCS bc366de149 CSCC[C@@H](C(=O)ON1C(=O)CCC1=O)N bc366de150 c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)ON4C(=O)CCC4=O bc366de151 C1CC(=O)N(C1=O)OC(=O)CCCNC(=N)N bc366de152 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)ON3C(=O)CCC3=O)N bc366de153 c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)ON3C(=O)CCC3=O)N bc366de154 C1CC(=O)N[C@@H]1C(=O)ON2C(=O)CCC2=O bc366de155 CC(C(=O)NCC(=O)ON1C(=O)CCC1=O)S bc366de156 C1CC(=O)N(C1=O)OC(=O)CNC(=O)CNC(=O)CN bc366de157 CC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O bc366de158 CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)N(C)C.Cl un387 CC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)ON3C(=O)CCC3=O bc366de159 CC(=O)N[C@@H](CCC(=O)N)C(=O)ON1C(=O)CCC1=O bc366de160 c1cc(ccc1C(=O)N[C@@H](CCC(=O)NCCOCCOCCN)C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N bc366de25de1 c1cc(ccc1C(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N bc366de25de2 CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc2c[nH]c-3nc(nc(=O)c3n2)N bc366de25de3 CCOC(=O)C(c1ccc(cc1OC)[N+](=O)[O-])C(=O)OCC f102 CC(C)c1cc(nc(n1)N)c2ccc(c3c2cccc3)F s037b c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCCC(=O)NO fd013de5 CCCCNc1ccc2c3c1cccc3C(=O)N(C2=O)CCCC fd013de6 CN1C(=O)c2cccc3c2c(ccc3)C1=O fd013de7 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O fd013de8 c1ccc(cc1)N2C(=O)c3cccc4c3c(ccc4)C2=O fd013de9 CN1C(=O)c2cccc3c2c(ccc3OC)C1=O fd013de10 c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCNCCCNCCN4C(=O)c5cccc6c5c(ccc6)C4=O fd013de11 c1cc2c(ccc3c2c(c1)C(=O)N(C3=O)CCO)Br fd013de12 CCCCN1C(=O)c2cccc3c2c(ccc3N)C1=O fd013de13 Cc1ccc(c(c1)C)N2C(=O)c3cccc4c3c(ccc4N)C2=O fd013de14 CN1C(=O)c2cccc3c2c(ccc3Br)C1=O fd013de15 c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])NCC2CCOCC2 un378de1 CCCNc1ccc(cc1[N+](=O)[O-])C(=O)O un378de2 CN(C)CCCNc1ccccc1[N+](=O)[O-] un378de3 c1ccc(cc1)CN2CCC(CC2)Nc3ccc(cc3[N+](=O)[O-])F un378de4 COCCNc1ccc(cc1[N+](=O)[O-])OC un378de5 CCNc1nc(nc(n1)Cl)N wh063de5 CCNc1nc(nc(n1)O)NC(C)C wh063de6 C(Nc1nc(nc(n1)N)N)O wh063de7 c1(nc(nc(n1)Nc2nc(nc(n2)N)N)N)N wh063de8 CCC(C)Nc1nc(nc(n1)Cl)NCC wh063de9 CCN(CC)c1nc(nc(n1)Cl)N(CC)CC wh063de10 CC(C)Nc1nc(nc(n1)Cl)NC2CC2 wh063de11 CCN(CC)c1nc(nc(n1)Cl)NC(C)C wh063de12 CCNc1nc(nc(n1)O)NCC wh063de13 CNc1nc(nc(n1)N)N wh063de14 C(Nc1nc(nc(n1)NCO)N)O wh063de15 CC(C)(C#N)Nc1nc(nc(n1)Cl)NC2CC2 wh063de16 CN(C)c1nc(nc(n1)Cl)N(C)C wh063de17 CC(C)Nc1nc(nc(n1)Cl)NCCCOC wh063de18 CCNc1nc(nc(n1)Cl)NCC(=O)O wh063de19 COCNc1nc(nc(n1)N)N wh063de20 CN(C)c1nc(nc(n1)N(C)C)N wh063de21 CCNc1nc(nc(n1)Cl)NC(C)(C)C(=O)N wh063de22 CC(C)Nc1nc(nc(n1)Cl)NCC(=O)O wh063de23 CCNc1nc(nc(n1)Cl)NCC(=O)OCC wh063de24 c1ccc(cc1)Nc2nc(nc(n2)N)N wh063de25 c1(nc(nc(n1)NC(=N)N)N)N wh063de26 C(CO)Nc1nc(nc(n1)N)N wh063de27 CNc1nc(nc(n1)NC)N wh063de28 C(#N)Nc1nc(nc(n1)N)N wh063de29 CCOC(=O)CNc1nc(nc(n1)Cl)NC(C)C wh063de30 C1COCCN1c2nc(nc(n2)N)N wh063de31 CNc1nc(nc(n1)Cl)NC wh063de32 c1(nc(nc(n1)NC(=O)N)N)N wh063de33 C1CC1Nc2nc(nc(n2)Cl)NC3CC3 wh063de34 C1CCC(CC1)Nc2nc(nc(n2)Cl)NC3CCCCC3 wh063de35 C1CCC(CC1)Nc2nc(nc(n2)N)N wh063de36 CCNc1nc(nc(n1)N)N wh063de37 CNc1nc(nc(n1)N(C)C)N wh063de38 CCCNc1nc(nc(n1)Cl)NCCC wh063de39 CC(C)(C)Nc1nc(nc(n1)Cl)Cl wh053vp1 CC(=O)Oc1c[nH]c2c1cc(c(c2)Cl)Br gh001 CCCC(=O)Oc1c[nH]c2c1cc(c(c2)Cl)Br gh002 CCCCCCCCC(=O)Oc1c[nH]c2c1c(c(cc2)Br)Cl gh003 CCCC(=O)Oc1c[nH]c2c1ccc(c2)Cl gh004 CCCCCCCCCCCCCCCC(=O)Oc1c[nH]c2c1ccc(c2)Cl gh005 c1cc(c(cc1/C=C\2/C(=O)c3ccc(cc3O2)O)O)O jmc024de1 c1cc(c(cc1/C=C\2/C(=O)c3c(cc(cc3O2)O)O)O)O jmc024de2 COc1ccc(cc1)/C=C/2\C(=O)c3ccccc3O2 jmc024de3 c1cc(c(cc1/C=C\2/C(=O)c3ccc(c(c3O2)O)O)O)O jmc024de4 c1cc(ccc1/C=C\2/C(=O)c3ccc(cc3O2)O)O jmc024de5 COc1ccc(cc1OC)/C=C/2\C(=O)c3c(cc(cc3OC)OC)O2 jmc024de6 COc1ccc2c(c1)O/C(=C/c3ccccc3)/C2=O jmc024de7 c1ccc2c(c1)C(=O)/C(=C/c3ccc(cc3)Cl)/O2 jmc024de8 COc1cc2c(c(c1)OC)C(=O)/C(=C/c3ccccc3)/O2 jmc024de9 Cc1ccc2c(c1)C(=O)/C(=C\c3ccccc3)/O2 jmc024de10 COc1ccc(cc1)/C=C/2\C(=O)c3ccc(cc3O2)OC jmc024de11 Cc1ccc2c(c1)C(=O)/C(=C\c3ccc(cc3)OC)/O2 jmc024de12 c1cc(ccc1/C=C/2\C(=O)c3c(cc(cc3O2)O)O)O jmc024de13 COc1ccc(cc1)/C=C/2\C(=O)c3c(cc(cc3OC)OC)O2 jmc024de14 c1ccc(cc1)/C=C/2\C(=O)c3c(cc(cc3O2)O)O jmc024de15 c1ccc(cc1)/C=C/2\C(=O)c3ccc(cc3O2)O jmc024de16 Cc1ccc(cc1)/C=C/2\C(=O)c3ccccc3O2 jmc024de17 c1ccc2c(c1)C(=O)/C(=C\c3ccc(c(c3)O)O)/O2 jmc024de18 c1ccc2c(c1)C(=O)/C(=C/c3ccc(cc3)[N+](=O)[O-])/O2 jmc024de19 COc1c(ccc2c1O/C(=C\c3ccc(c(c3)O)O)/C2=O)O jmc024de20 COc1ccc(cc1OC)/C=C/2\C(=O)c3c(cc(cc3O2)O)O jmc024de21 COc1cc(cc2c1C(=O)/C(=C/c3ccc(c(c3)O)O)/O2)O jmc024de22 c1ccc2c(c1)C(=O)/C(=C/c3ccc(cc3)Br)/O2 jmc024de23 COc1ccc(cc1OC)/C=C/2\C(=O)c3ccc(cc3O2)O jmc024de24 c1ccc(cc1)/C=C/2\C(=O)c3cc(ccc3O2)Cl jmc024de25 COc1ccccc1/C=C\2/C(=O)c3ccccc3O2 jmc024de26 COc1ccc(cc1OC)/C=C/2\C(=O)c3ccccc3O2 jmc024de27 COc1cccc2c1C(=O)/C(=C\c3ccccc3)/O2 jmc024de28 COc1cccc(c1)/C=C\2/C(=O)c3ccccc3O2 jmc024de29 COc1ccc(c(c1)OC)/C=C\2/C(=O)c3c(cc(cc3OC)OC)O2 jmc024de30 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O qm001 CN1CCc2cc3c(cc2C(=O)Cc4ccc(c(c4C1)OC)OC)OCO3 qm002 CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C(=O)O sol03 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)c4cc(ccc4O)c5cc(=O)c6c(cc(cc6o5)O)O)O)O)O qm003 c1cc2c(cc1N)nc3cc(ccc3n2)N sol011 c1ccc2c(c1)nc3ccccc3n2=O f225 c1cc(ccc1N)Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-] sol011vp c1cc(ccc1N)Nc2ccc(cc2N)N.Cl.Cl.Cl sol011vp1 c1cc2c(cc1[N+](=O)[O-])n(=O)c3cc(ccc3n2)[N+](=O)[O-] sol011vp2 c1cc2c(c(c1)[N+](=O)[O-])nc3ccc(cc3n2=O)[N+](=O)[O-] sol012vp c1cc(c2c(c1)nc3cc(ccc3n2)N)N sol012 CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4cc(ccc4C(=O)[O-])N5C(=O)C=CC5=O)N(C)C un388