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537 SMILES Strings for Apoptotic peptidase activating factor 1

Compound NameSMILES String
BDBM18 Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
BDBM22857 O=C1C(=O)c2ccccc2-c2ccccc12
BDBM22796 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
BDBM29621 COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
BDBM31759 OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
BDBM30719 CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
BDBM30722 CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
BDBM30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
BDBM30762 CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM30768 COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
BDBM30771 Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
BDBM33147 COc1cccc2C(=O)C(C)=CC(=O)c12 |c:10|
BDBM33075 FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
BDBM33127 Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
BDBM33142 Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM33159 O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|
BDBM33162 Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
BDBM33066 CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
BDBM33184 Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
BDBM33185 OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
BDBM34182 O=c1[nH]c(Nc2ccccc2)cc2ccccc12
BDBM32004 O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
BDBM32052 COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
BDBM32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
BDBM32022 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
BDBM32025 O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
BDBM32061 Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
BDBM32064 Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12
BDBM32085 OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
BDBM32030 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
BDBM32033 CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
BDBM34933 CC1(C)CNc2cc(N)ccc2S1
BDBM34893 CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
BDBM34662 COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
BDBM34699 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC(O)C3)c(C#N)c21 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
BDBM34745 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
BDBM34901 CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
BDBM34902 CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1 |c:17,t:11|
BDBM34943 CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
BDBM34581 CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
BDBM34671 Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
BDBM34674 Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
BDBM34676 CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
BDBM34632 CCN1C(=O)c2cccc3c(N)ccc1c23
BDBM34635 CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
BDBM34768 COc1ccc(CN=Nc2cc(nc(n2)N(C)C)N(C)C)cc1 |w:8.8|
BDBM34823 CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
BDBM34461 Clc1ccccc1-c1nn2c(nnc2s1)-c1ccncc1
BDBM34637 COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
BDBM34722 O=C1OC(Nc2ccc3ncccc3c2)c2ccccc12
BDBM34645 C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
BDBM34878 CCOc1c(O)ccc(C=C2SC(S)=NC2=O)c1[N+]([O-])=O |w:9.8,c:13|
BDBM34964 CCOC(=O)c1c(C)oc2c1c(C=NCCC(O)=O)c(O)c1ccccc21 |w:13.14|
BDBM34648 Cc1cc(C)nc(c1)N=c1ssnc1Cl |w:8.8|
BDBM34687 CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
BDBM34692 Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
BDBM35368 CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
BDBM35371 Nc1c(cc(Cl)c2nonc12)N1CCCC1
BDBM35362 Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
BDBM35431 COc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM35433 CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM37752 CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
BDBM38802 CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
BDBM38837 O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
BDBM41005 O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
BDBM41067 CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1 |t:10|
BDBM41036 Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|
BDBM41038 Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:11.12,t:9|
BDBM40726 Nc1cc2nsnc2cc1Br
BDBM39886 OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3|
BDBM40956 NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
BDBM40647 C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
BDBM40135 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
BDBM40313 O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
BDBM40315 O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1
BDBM40316 CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
BDBM40319 CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
BDBM40322 O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9|
BDBM43838 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14|
BDBM43500 Cc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
BDBM42140 Nc1nnc2CCCCc2n1
BDBM43224 CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
BDBM42504 CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
BDBM42253 COc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
BDBM42254 Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
BDBM42262 CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
BDBM42195 O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10|
BDBM41816 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|
BDBM42151 [O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
BDBM42197 Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
BDBM41826 COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
BDBM42209 O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
BDBM41831 CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
BDBM41832 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
BDBM42213 Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM42216 Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
BDBM42219 Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM42221 Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
BDBM42222 CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
BDBM42223 Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
BDBM42227 COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:10|
BDBM42234 OC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
BDBM42239 CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
BDBM42241 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
BDBM44997 Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
BDBM46189 COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM46224 CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
BDBM46237 COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
BDBM46244 OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
BDBM44482 CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM48482 COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
BDBM47968 CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:12.12,t:9|
BDBM48003 COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
BDBM48249 CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1 |w:24.26|
BDBM48026 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM48027 Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
BDBM48028 Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
BDBM48029 COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:14.15,t:12|
BDBM48030 OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12 |w:12.12,t:15|
BDBM48474 COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
BDBM48035 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM48036 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM48038 Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
BDBM48039 Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM48708 CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O
BDBM48845 CCCCCCCCCCCCCCCCn1cc[n+](C)c1
BDBM48732 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
BDBM48733 CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC
BDBM48009 Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
BDBM48833 COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
BDBM47197 CS(=O)(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
BDBM47816 COCCCNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23
BDBM46593 OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
BDBM51236 COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
BDBM51287 Nc1cc2nc3ccccc3nc2cc1N
BDBM50288 Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:7|
BDBM50575 Nc1nc2N(Cc3cccs3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N(CCO)CCO
BDBM50610 C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
BDBM50612 CC1(C)N([O-])c2cc(ccc2[N+]1=O)[N+]([O-])=O
BDBM50696 OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
BDBM50713 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
BDBM50714 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
BDBM50715 C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
BDBM50716 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
BDBM50600 CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
BDBM50603 CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
BDBM50604 C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
BDBM50974 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
BDBM50674 OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
BDBM50643 COc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12|
BDBM50646 COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
BDBM53402 C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br |c:4|
BDBM53457 Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
BDBM53601 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
BDBM53434 O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
BDBM53185 FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
BDBM52886 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC=C)C=C2C1=O)c1ccc(OC)cc1 |c:16,22,t:14|
BDBM52897 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CCCOC(C)C)C=C2C1=O)c1ccc(OC)cc1 |c:16,26,t:14|
BDBM53017 CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1
BDBM52814 CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|
BDBM53136 CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
BDBM53174 c1coc(c1)-c1nnc(nn1)-c1ccco1
BDBM53102 C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
BDBM53141 O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12
BDBM52817 OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM53105 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
BDBM51607 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
BDBM51875 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
BDBM51882 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
BDBM51883 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
BDBM51886 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
BDBM51771 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
BDBM51840 CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
BDBM51841 CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|
BDBM51809 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1
BDBM51851 COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
BDBM51900 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
BDBM51901 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
BDBM51903 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
BDBM51904 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
BDBM51905 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
BDBM51909 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
BDBM51912 CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
BDBM51914 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
BDBM51917 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
BDBM51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
BDBM51929 CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
BDBM55755 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
BDBM55756 CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12
BDBM55768 CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
BDBM55880 Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
BDBM54768 CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
BDBM54416 O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|
BDBM54763 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
BDBM54364 CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC
BDBM54198 CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
BDBM58032 Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
BDBM58061 CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
BDBM58062 CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
BDBM58367 CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
BDBM57870 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
BDBM57185 Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
BDBM57181 CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
BDBM57589 COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
BDBM56070 COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
BDBM60367 COc1cc(ccc1O)-c1c(C#N)c(=O)[nH]c2n(nc(C)c12)-c1ccccc1
BDBM59083 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
BDBM59086 CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
BDBM58941 CCCCCCCCCCCCCCCC[N+](C)(C)C
BDBM59553 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc(F)c1 |w:14.16|
BDBM58573 COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM62871 CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
BDBM61666 Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
BDBM61723 CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
BDBM61728 O=C(Nc1nc2ccsc2c(=O)s1)c1ccco1
BDBM61754 Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
BDBM61662 CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12
BDBM61210 CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
BDBM61213 CN(C)c1cc(Cl)c2nonc2c1N
BDBM61214 OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
BDBM61226 Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
BDBM61228 OC1(NC(=O)Cc2ccccc2Cl)C(=O)c2ccccc2C1=O
BDBM61232 COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
BDBM61233 NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
BDBM61166 COc1cc(cc(OC)c1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
BDBM61179 OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
BDBM61559 CN1Cc2c(CC1(C)C)c1c(N)c(sc1nc2N1CCOCC1)C(=O)c1ccc(Br)cc1
BDBM61195 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM61197 COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
BDBM61198 COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
BDBM61293 COc1cc(ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
BDBM66019 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1
BDBM66022 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
BDBM65983 Cc1nn2c(nnc2c2ccccc12)-c1ccncc1
BDBM64030 CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
BDBM64787 CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
BDBM65111 Cc1[nH]n(-c2ccccc2)c(=O)c1CN=Nc1nncc(n1)-c1ccccc1 |w:14.15|
BDBM64790 CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
BDBM64792 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O |c:27,t:13,15|
BDBM64794 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O |c:29,t:13,15|
BDBM64796 OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
BDBM64797 CCCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
BDBM64800 [O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
BDBM64802 COc1ccc(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
BDBM65576 [O-][N+](=O)c1ccc[c-](\C=[NH+]\c2cccc3ccccc23)c1=O
BDBM65630 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
BDBM65465 Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
BDBM64780 Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
BDBM64781 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7|
BDBM64782 Oc1ccccc1CN=Nc1cc(nc(n1)N1CCCC1)N1CCCC1 |w:9.10|
BDBM64784 Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(O)c1 |w:7.7|
BDBM64785 Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
BDBM64786 COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
BDBM63871 Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1N |(12.42,-.73,;10.88,-.73,;9.98,-1.97,;10.46,-3.44,;10.93,-4.9,;8.52,-1.5,;7.19,-2.27,;5.85,-1.5,;4.48,-2.33,;3.08,-1.53,;3.08,.07,;4.48,.86,;5.85,.04,;7.19,.81,;8.52,.04,;9.98,.51,;10.46,1.97,;11.96,2.29,;12.44,3.75,;11.41,4.9,;9.91,4.58,;9.43,3.12,;7.92,2.8,)|
BDBM67836 FC(F)(F)c1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O
BDBM67655 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
BDBM67171 Oc1ccc2c(oc(=O)c3ccccc23)c1CN(CC=C)CC=C
BDBM66946 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
BDBM71232 OC(=O)c1cccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)c1 |t:9|
BDBM70900 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(Cl)c1)c1c(C)[nH][nH]c1=O
BDBM70925 CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
BDBM70928 COC(=O)c1ccc(cc1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
BDBM71412 COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
BDBM71246 OC1(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O
BDBM71415 CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
BDBM71425 COc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
BDBM71431 CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:16|
BDBM71432 COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
BDBM71433 Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
BDBM71143 CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]C1=C(C(=O)c2ccccc2C1=O)n1cc[n+](c1)-c1ccccn1 |t:15|
BDBM71156 CC(C)[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|
BDBM71166 CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
BDBM71178 OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1 |t:8|
BDBM71455 COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
BDBM71467 Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9|
BDBM71487 COc1ccc(OCc2cc(no2)C(=O)NC2CCOC(C)(C)C2)c2ccccc12
BDBM71505 CCc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
BDBM71524 CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12
BDBM71262 COC(=O)c1nc(c(N)c(c1C)-c1ccc(OC)c(OC)c1O)-c1ccc2C(=O)C(OC)=C(N)C(=O)c2n1 |t:33,(14.65,-5.77,;14.66,-4.23,;13.33,-3.45,;11.99,-4.22,;13.34,-1.91,;12,-1.14,;12.01,.4,;13.35,1.17,;13.35,2.71,;14.68,.39,;14.67,-1.15,;16,-1.92,;16.01,1.16,;17.35,.38,;18.68,1.15,;18.69,2.69,;20.02,3.45,;21.36,2.68,;17.36,3.46,;17.36,5,;18.7,5.77,;16.02,2.7,;15.26,4.03,;10.68,1.18,;10.68,2.78,;9.28,3.57,;7.91,2.75,;6.57,3.52,;6.57,5.06,;5.24,2.75,;3.91,3.52,;3.91,5.06,;5.24,1.21,;3.91,.44,;6.57,.44,;6.57,-1.1,;7.91,1.21,;9.28,.39,)|
BDBM71267 O=c1[nH]c(Nc2ccccn2)cc2ccccc12
BDBM71268 COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1
BDBM71269 COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
BDBM71270 O=c1[nH]c(cc2ccccc12)N1CCOCC1
BDBM71272 CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
BDBM71273 Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
BDBM71274 CC(=O)c1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
BDBM71356 CC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)c1ccccc1 |c:4|
BDBM70984 Nc1ccc(cc1)N(CCO)CCO
BDBM70999 CCCCNC1=CC(=O)C(=O)c2ccccc12 |t:5|
BDBM71037 Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
BDBM71357 Nc1ccc(Oc2ncccn2)cc1
BDBM71188 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
BDBM71070 CCC(=O)N(C(C)C)c1c(O)c2ccccc2c(O)c1N=C
BDBM71372 COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
BDBM71078 Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ccccc12 |w:5.4|
BDBM71093 O=C(NN=C1CC(=NNC(=O)c2ccncc2)c2ccccc12)c1ccncc1
BDBM71373 Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12 |w:5.4|
BDBM71380 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O |w:14.16|
BDBM70627 COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
BDBM70644 CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:1|
BDBM70693 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)C1COc2ccccc2O1 |w:14.16|
BDBM70892 CC(CNc1ccccc1O)C(O)=O
BDBM70398 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26|
BDBM70782 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
BDBM70542 CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
BDBM70843 COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
BDBM70844 Fc1ccc(NC2=C(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
BDBM70568 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:15|
BDBM70862 COc1ccc(cc1)-n1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
BDBM70604 CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
BDBM70611 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Br)cc1
BDBM70620 CCO\C=C1\C(=O)N(C)C(=O)c2cc(OC)ccc12
BDBM72507 Clc1nss\c1=N/c1ccc(Cl)cn1
BDBM72789 Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12 |w:10.11|
BDBM76163 [H][C@@]12[C@@H](O)[C@@]3([H])[C@]4([H])[C@H](O)[C@@]([H])(C(=O)C5=C(O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(O)=C1C2=O |wU:1.0,wD:2.2,8.8,6.6,4.4,28.28,29.34,10.10,c:14,48,TLB:9:8:4.29:28.14.12,30:29:6.28:2,26:28:2:29.43.44,41:43:6.28:2,THB:10:29:6.28:2,8:6:2:29.43.44,45:44:6.28:2,14:28:2:29.43.44,(10.29,-2.42,;9.31,-1.56,;9.97,-.18,;11.5,-.06,;9.1,1.08,;7.86,.67,;8.62,-.39,;9.63,.45,;7.08,-.39,;6.92,-1.92,;6.61,1.08,;5.36,1.48,;5.66,-.12,;4.14,.08,;6.26,-1.52,;5.33,-2.8,;3.8,-2.65,;5.98,-4.25,;5.15,-5.49,;3.62,-5.38,;5.79,-6.84,;7.28,-6.97,;7.92,-8.37,;8.16,-5.76,;9.69,-5.93,;7.56,-4.39,;8.47,-3.09,;9.74,-3.96,;7.78,-1.66,;7.85,1.98,;9.19,2.75,;10.52,1.98,;9.19,4.29,;10.59,5.07,;11.91,4.29,;10.6,6.67,;11.94,7.44,;9.21,7.48,;7.83,6.66,;6.49,7.42,;7.85,5.06,;6.52,4.29,;5.19,5.06,;6.52,2.75,;6.67,-.21,;5.38,-1.04,)|
BDBM76347 CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM76238 Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
BDBM75309 CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM78857 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1
BDBM78761 CCCCCc1ccc(OCCCC[n+]2cccc(C)c2)c(CCCCC)c1
BDBM78821 CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C
BDBM78825 CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12
BDBM78905 COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:20|
BDBM78891 NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
BDBM76505 CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
BDBM76521 O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
BDBM76779 CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
BDBM76780 CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM76715 [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
BDBM76717 COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:9|
BDBM76536 Nc1ccc(Br)c2cccnc12
BDBM76589 COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
BDBM81149 CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc31 |w:4.4|
BDBM81199 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
BDBM81206 CCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM81027 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(O)=O)c(Br)c(O)c(O)c12
BDBM79500 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
BDBM79509 COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
BDBM80252 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2C(=O)c2ccccc2)C(N)=O)C1 |t:13|
BDBM80343 Cc1nnc(N=c2ssnc2Cl)o1
BDBM80137 OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
BDBM80049 FC(F)(F)c1nc2cccc3cccc([nH]1)c23
BDBM80289 CC\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
BDBM80290 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
BDBM79320 FC(F)(F)c1cc(CCN2CCNC[C@@H]2CC2CCCCC2)cc(c1)C(F)(F)F
BDBM79182 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM79262 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1
BDBM79132 COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N(C)C
BDBM79207 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
BDBM79183 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
BDBM79187 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(C)nn1
BDBM79200 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(CCO)nn1
BDBM79227 COc1ccccc1OCCNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM79230 COc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1
BDBM79232 CC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
BDBM79235 COc1ccc(cc1)C(CNC(=O)COc1c(C)cc(C)cc1C)N1CCOCC1
BDBM79000 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1 |w:4.3|
BDBM79188 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM79192 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCO)nn1
BDBM79271 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
BDBM79278 COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
BDBM79401 NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
BDBM79185 NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
BDBM79284 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2c[nH]c3ccccc23)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,30|
BDBM79255 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
BDBM79301 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
BDBM79258 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCCCCN)nn1
BDBM83317 Cc1cc(N2CCN(CC2)c2ccc([N+]([O-])=O)c3cccnc23)c2ccccc2n1
BDBM83342 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
BDBM82950 CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
BDBM83925 [O-][N+](=O)c1ccccc1-c1ccc(o1)C(=S)N1CCCC1
BDBM83926 CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1
BDBM83927 Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)-c1nn2c(nnc2c2ccccc12)-c1ccco1
BDBM83928 OC(=O)c1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 |c:9|
BDBM83929 COc1ccc2[nH]c(=O)c(CNc3ccccc3OC)cc2c1
BDBM83973 C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(C)=C1N=C(C=C3[N-]C(=C(C)C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |w:27.28,18.19,23.23,c:16,t:22,30|
BDBM83993 Oc1cc(NCCN2CCOCC2)cc2cccnc12
BDBM83994 CN(C)CCCNc1cc(O)c2ncccc2c1
BDBM83995 Oc1cc(NCCc2cccnc2)cc2cccnc12
BDBM83930 CCCCCc1ccc(OCCC[n+]2ccccc2)c(CCCCC)c1
BDBM83931 CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:11|
BDBM83974 COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O
BDBM83975 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC(=O)Nc1cccc(C)c1
BDBM83976 Brc1ccc(SCCNC(=O)CCNS(=O)(=O)c2ccccc2)cc1
BDBM83977 CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(COc3ccccc3)cc2)cc1OCC
BDBM83978 Cc1ccc(OCC(=O)N(Cc2nnc(o2)-c2ccccc2Cl)C2CC2)cc1C
BDBM83979 CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cccs1
BDBM83980 CCCCOc1ccc(cc1)C(=O)NCC(=O)NCC(N1CCOCC1)c1cccs1
BDBM83981 CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1ccc(Br)cc1C
BDBM83982 CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccccc1Sc1ccccc1C#N
BDBM83983 [O-][N+](=O)c1ccc(o1)C(=O)N(Cc1nnc(o1)-c1ccccc1Cl)C1CC1
BDBM83984 CCc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:7|
BDBM83986 CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCOc1ccc(Br)cc1
BDBM83987 CC(Sc1nnc(COc2cccc(C)c2)n1CC=C)C(=O)NC1CC1
BDBM83988 COc1ccc(CN(C)C(=O)c2cc(ccc2C)S(=O)(=O)NCc2ccccc2)c(OC)c1
BDBM83989 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccsc1
BDBM83990 CCCN(CC(=O)Nc1ccccc1C)C(=O)c1sc2ccccc2c1Cl
BDBM83991 CCCCNc1c(nc2cnccn12)-c1ccc(SC(C)CC)cc1
BDBM83992 C[C@H](CO)Nc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM83999 C\C(\C=C/c1cccnc1)=C\C([O-])=O
BDBM84000 CCOc1ccc(cc1)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)NC(N)=N |w:13.14|
BDBM83932 C[n+]1cccc2c(Br)ccc([O-])c12
BDBM83933 C1CC2(CCC11Nc3cccc4cccc(N1)c34)Nc1cccc3cccc(N2)c13
BDBM83934 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC3CC3)C=C2C1=O)c1ccc(OC)cc1 |c:16,24,t:14|
BDBM83935 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CC=C)C=C2C1=O |c:25,t:13,15|
BDBM84001 Oc1ccc(cc1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1ccc(O)cc1)c3=O
BDBM84002 CC(Cn1nc(C)cc1C)C(O)=O
BDBM84003 CC(Cc1c[nH]c2ccccc12)C(O)=O
BDBM83900 CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
BDBM83936 COCCN1C=C2C(=CC(=O)C(C)(OC(=O)CCC(=O)OC)C2=O)C=C1C1CC1 |c:5,7,25|
BDBM83937 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C1=O |c:31,t:13,15|
BDBM83938 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccc(OC)cc1 |c:16,19,t:14|
BDBM83939 Clc1ccc(Cc2nc(n[nH]c2=O)-c2ccccc2)cc1
BDBM83940 COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5|
BDBM84005 Nc1nc(cs1)C(=NOCC(O)=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
BDBM84006 CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
BDBM84007 Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
BDBM84008 CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
BDBM83901 CC(C)CCC(C)NC=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc12 |w:8.7|
BDBM83902 Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3cccc4ccccc34)n2-c2ccccc2)o1
BDBM83903 COc1ccc(CN=Cc2[nH]c3ccc(Br)c(Cl)c3c2O)cc1 |w:7.6|
BDBM83904 CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
BDBM83905 Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O
BDBM83996 Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:10.10,t:13|
BDBM83997 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(C(O)=O)c(O)c1
BDBM83998 OC(=O)C(CC(=O)c1ccc(Br)cc1)c1cn(CCC#N)c2ccccc12
BDBM83906 Cc1[n-]n(-c2ccccc2)c(=O)c1\C=[NH+]\NC(=O)c1cccc(c1)[N+]([O-])=O
BDBM83909 Clc1ccc(cc1)S(=O)(=O)NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:12|
BDBM83910 Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccccc1O
BDBM83911 COc1ccc(cc1OC)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
BDBM83912 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
BDBM83913 [O-][N+](=O)c1cc(ccc1Cl)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
BDBM83914 COc1ccc(C=NNC(=O)CCn2cnc(c2-c2ccccc2)-c2ccccc2)cc1
BDBM83941 Cn1c(=O)[nH]c2nncnc2c1=O
BDBM83942 OC1C(=O)C(=O)C(=O)c2ccccc12
BDBM83907 CC1CC2(CCCCC2)N2C(=O)C(=O)c3cccc1c23
BDBM83908 Oc1ccc(\C=C2/NC(=O)c3ccccc3C2=O)cc1
BDBM83943 O=c1cc(N=NCc2ccccc2)[nH]c(=O)[nH]1 |w:4.3|
BDBM83944 COc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC
BDBM83945 CN(C)c1cc(N=NCc2ccccc2C(F)(F)F)nc(n1)N(C)C |w:6.5|
BDBM83879 CCc1ccc(CNc2ccc(O)cc2)cc1
BDBM83880 Clc1ccccc1OCc1nn2c(nnc2s1)-c1ccncc1
BDBM83881 COc1ccccc1N1CCN(CC1)C(C(C)NS(=O)(=O)c1ccccc1)c1cccs1
BDBM83946 Oc1ccc(Br)cc1CNc1cccc2cccnc12
BDBM83947 COc1ccc(cc1Cl)-n1nc2ccc(N)cc2n1
BDBM83948 Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc12
BDBM83949 Fc1ccc(cc1)C(=O)CCCN1CCc2[nH]c3ccc(F)cc3c2C1
BDBM83950 Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ccccc12 |w:5.4|
BDBM83882 Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
BDBM83883 COc1ccc-2c(Cc3sc(NC(=O)c4ccccc4)nc-23)c1
BDBM83884 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O
BDBM83885 CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:10|
BDBM83886 Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccccc1
BDBM83951 CC(=O)c1ccc2[n+]([O-])c3ccccc3c(C#N)c2c1
BDBM83952 CC(=C)Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
BDBM83953 Cc1ccc(cc1Cl)-n1nc2ccc(N)cc2n1
BDBM83955 CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(N=NC(N)=O)c3ccc(Br)cc3c12 |w:17.16|
BDBM83956 OC(=O)CCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
BDBM83957 COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)NC2CCCC(C)C2C)c2ccccc2c1=O
BDBM83958 Cc1cc(C)c(c(C)c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:15|
BDBM83959 CC1CN2C(=O)Cc3c2c(S1)ccc3S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
BDBM83960 CC1CCN(CC1)S(=O)(=O)c1ccc2SC(C)CN3C(=O)Cc1c23
BDBM83961 CCN1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|
BDBM83962 CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(=O)c2ccccc2C1=O |c:8|
BDBM83963 CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8|
BDBM83964 NC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:10|
BDBM83965 CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O
BDBM83966 Brc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC(N2CCCC2)c2ccco2)cc1
BDBM83967 CCN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:9|
BDBM83968 CCOC(=O)C1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:12|
BDBM83969 CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
BDBM83970 COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
BDBM83971 CC1(C)Cc2cccc(OCC(=O)N3CCN(CC3)c3cccc(c3)C(F)(F)F)c2O1
BDBM83972 COCCN(Cc1ccccc1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
BDBM83887 Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
BDBM83888 COC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20|
BDBM83889 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1
BDBM83890 COc1ccc-2c(Cc3sc(NC(=O)c4ccco4)nc-23)c1
BDBM83891 CCOc1ccccc1N1CCN(CC1)C(=O)C1c2ccccc2Oc2ccccc12
BDBM83892 Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccccc3)n2n1
BDBM83915 Cc1cc(=O)n([nH]1)-c1ccc(cn1)C(F)(F)F
BDBM83916 CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2C#N)c1
BDBM83917 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccoc1C |w:14.16|
BDBM83985 CN(C)c1ccc2cc3ccc(cc3oc2c1)=[N+](C)C |(.8,6.99,;2.08,7.73,;2.08,9.21,;3.36,6.98,;3.36,5.44,;4.7,4.68,;6.02,5.47,;7.3,4.73,;8.58,5.47,;9.9,4.68,;11.24,5.44,;11.24,6.98,;9.9,7.74,;8.58,6.95,;7.3,7.69,;6.02,6.95,;4.7,7.74,;12.52,7.73,;13.8,6.99,;12.51,9.21,)|
BDBM83918 CC(C)c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:9.9|
BDBM83919 COc1ccc(OCCNc2c([N+]([O-])=O)c(=O)oc3ccccc23)cc1
BDBM83920 O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
BDBM83921 CCN(CC)CCC=Nc1c(Cl)c(O)c2ccccc2c1O |w:8.8|
BDBM83922 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
BDBM83875 C1CCC(CC1)n1nnnc1C(N1CCc2ccccc2C1)c1ccccn1
BDBM83876 CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
BDBM83877 COc1ccc(cc1)-c1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
BDBM83878 Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccco1
BDBM83893 COn1c2CCCCc2c2c1ccc1nonc21
BDBM83894 [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(=O)C(C)(C)C |c:4|
BDBM83895 CCOC(=O)c1cnn(c1N)-c1c(Cc2ccccc2)c(C)nc2c(c(C)nn12)-c1ccccc1 |(11.08,8.19,;11.7,6.79,;10.8,5.54,;11.42,4.13,;12.96,3.97,;10.52,2.89,;8.98,2.89,;8.5,1.42,;9.75,.52,;10.99,1.42,;12.46,.95,;9.75,-1.02,;8.41,-1.79,;7.08,-1.02,;5.75,-1.79,;4.41,-1.02,;3.08,-1.79,;3.08,-3.33,;4.41,-4.1,;5.75,-3.33,;8.41,-3.33,;7.08,-4.1,;9.75,-4.1,;11.08,-3.33,;12.54,-3.8,;13.44,-2.56,;14.98,-2.56,;12.54,-1.32,;11.08,-1.79,;13.02,-5.27,;11.99,-6.41,;12.47,-7.88,;13.97,-8.19,;15,-7.05,;14.52,-5.58,)|
BDBM83896 [O-][N+](=O)c1ccccc1C(=O)Oc1cccc(c1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
BDBM83897 [O-][N+](=O)c1ccccc1C(=O)Oc1ccc(cc1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
BDBM83898 CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:11|
BDBM83899 CC(C)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
BDBM83923 Cc1oc2c(c1C(O)=O)C(=O)c1ccccc1C2=O
BDBM83924 CCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
BDBM89226 Cc1cc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)C(=O)c2c(C)c1
BDBM89227 Clc1ccc2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)c2c1
BDBM89489 CC(Cn1nc(C)c(Br)c1C)C(O)=O
BDBM89490 CC(C(C)n1nc(C)cc1C)C(O)=O
BDBM89491 CC(Cn1cccn1)C(O)=O
BDBM89492 COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(O)=O |t:12|
BDBM89493 OC(=O)C1CC(=NO1)c1ccccc1O |c:5|
BDBM89494 OC(=O)C1CC(=NO1)c1ccccc1Cl |c:5|
BDBM89495 OC(=O)C1CC(=NO1)c1cccc(Br)c1 |c:5|
BDBM89496 OC(=O)C1CC(=NO1)c1c(F)cccc1Cl |c:5|
BDBM89497 COc1ccc(OC)c(c1)C1=NOC(C1)C(O)=O |t:11|
BDBM89498 CC(CN1CCCCC1)C(O)=O
BDBM89499 CC(Cn1cnc2ccccc12)C(O)=O
BDBM89500 CC(CNC(C)c1ccccc1)C(O)=O
BDBM89501 CC(Cn1nc(C)c(C)c1C)C(O)=O
BDBM89502 CC(Cn1c(C)nc2ccccc12)C(O)=O
BDBM89504 CC(Cn1nnc2ccccc12)C(O)=O
BDBM89505 OC(=O)C1(Cn2cccn2)CC1
BDBM89506 COc1ccccc1C1=NOC(C1)C(O)=O |t:9|
BDBM89507 CC(CN1CCCC1)C(O)=O
BDBM89508 CC(CN1CCOCC1)C(O)=O
BDBM50002662 CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|
BDBM50073568 COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
BDBM50099737 Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
BDBM50099763 O=C1C=C(Nc2ccccc2)c2ccccc2C1=O |t:2|
BDBM50118591 COc1ccc(cc1)C1=NOC(C1)C(O)=O |t:9|
BDBM50202151 OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
BDBM50203812 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
BDBM50208827 OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
BDBM50262667 COc1ccc-2c(Cc3sc(NC(=O)c4cccs4)nc-23)c1
BDBM50241461 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
BDBM50284797 CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
BDBM50334339 CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM50334341 CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
BDBM50334334 CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1