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996 SMILES Strings for DNA dC->dU-editing enzyme APOBEC-3G

Compound NameSMILES String
BDBM1017 Cc1ccc(N2C(=O)N(CC(=O)c3ccc[nH]3)C(=O)C2=O)c(C)c1
BDBM839 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NC1CCCCC1)-c1ccc(Br)cc1
BDBM844 CC(Sc1nnc(-c2ccc(C)cc2)n1C)C(=O)NCc1ccco1
BDBM780 CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1
BDBM785 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N1CCCC1)-c1ccc(Cl)cc1
BDBM876 CCC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM878 Cn1c(SCC(=O)N(Cc2ccco2)Cc2ccccc2)nnc1-c1ccc(F)cc1
BDBM900 CN(CC(=O)Nc1ccccc1Cl)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
BDBM901 Clc1ccc(N2CCOCC2)c(NC(=O)CCN2CCSC2=O)c1
BDBM916 CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
BDBM831 CC1(C)Oc2ccc3ccc(=O)oc3c2C(CN=O)=C1Cl |c:20|
BDBM1192 Cn1cccc1\C=C(\C#N)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
BDBM1156 CCOc1ccccc1N1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)C1=O
BDBM1024 CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
BDBM1025 CN(Cc1ccc(C)o1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C
BDBM1282 CN1CC2=C(N=C1NCCCO)c1ccccc1CC21CCCCC1 |c:3,5|
BDBM1435 OC(=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccc1F |c:13|
BDBM1516 Clc1c(nn2cccnc12)C(=O)NCc1ccc2OCOc2c1
BDBM29644 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
BDBM1195 COc1cc2OC(C)(C)C=Cc2c2oc(=O)c3CCCc3c12 |c:9|
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM22774 O=C1C=CC(=O)C=C1 |c:2,6|
BDBM29632 CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
BDBM31756 Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
BDBM33156 COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
BDBM33163 [#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|
BDBM33085 Clc1nss\c1=N\c1ccc(cc1)C#N
BDBM33086 COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
BDBM32830 Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)COc1ccccc1
BDBM33187 Clc1nss\c1=N\c1cccc(c1)C#N
BDBM33190 CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2OC)c1C
BDBM34288 COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N
BDBM34290 C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)C1COc2ccccc2O1
BDBM34335 Cc1cc(C)c(C#N)c(=N)o1
BDBM34336 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
BDBM34323 O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
BDBM34170 CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
BDBM34254 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(N)=O
BDBM34325 Cc1noc(C)c1CSc1nc2cc(ccc2o1)S(=O)(=O)N1CCOCC1
BDBM34221 Cc1cc(C)n2c(n[nH]c2=S)n1
BDBM34331 O=c1[nH]c(nc2ccccc12)-c1ccncc1
BDBM33191 CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
BDBM33051 COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
BDBM34657 CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:8.9,c:4,t:1|
BDBM34932 CCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
BDBM34975 Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S
BDBM34338 CCOC(=O)c1c(N)sn(-c2ccccc2C)c1=S
BDBM34737 Cc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM34849 Cc1ccccc1-n1sc2cc(F)ccc2c1=O
BDBM34621 FC(F)(F)C1(F)SC(NC(=O)NC2CCCCC2)=NC1=O |c:18|
BDBM34813 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)\C=C\c2ccccc2)c1
BDBM34452 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
BDBM34583 CC(C)(C)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12 |t:4|
BDBM34346 Cc1ccnc(n1)-n1sc2ccccc2c1=O
BDBM34347 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1
BDBM34709 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
BDBM34949 COc1ccc(OCc2n[nH]c(=S)n2N)cc1
BDBM34510 CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
BDBM34519 Cc1cc(C)c2c(n1)sn(CC(=O)N1CCC(CC1)N1CCCCC1)c2=O
BDBM34523 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1Cl |c:13|
BDBM34533 CCCCCCn1c(SCC(=O)OC)nc2n(C)c(=O)[nH]c(=O)c12
BDBM34909 CC1(C)Cc2c(CO1)sc1ncn3c(n[nH]c3=S)c21
BDBM34466 Clc1ccc(Cl)c(c1)-c1nn2c(COc3ccccc3)nnc2s1
BDBM34917 Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
BDBM34548 S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
BDBM34408 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
BDBM34419 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
BDBM34966 CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
BDBM34725 [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)n1nc(nc1C)[N+]([O-])=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,5:3:11:6.9.8,THB:7:6:12:1.11.2,5:6:11:3.12.2|
BDBM34563 Clc1ccccc1-c1ccc(o1)C(=S)N1CCOCC1
BDBM34694 CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:22|
BDBM34927 COc1ccc(Cc2nnc(S)s2)cc1
BDBM34653 COc1ccc(cc1)\N=c1\ssnc1Cl
BDBM34886 CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
BDBM34980 [O-][N+](=O)c1ccc2n(-c3ccccc3)c(=S)[nH]c2c1
BDBM37537 OCCNC1=NCCN1 |t:4|
BDBM38608 Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1
BDBM38613 COCc1cc(C)c(C#N)c(=S)[nH]1
BDBM38617 CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
BDBM37236 CCn1c(n[nH]c1=S)-c1cccc(Cl)c1
BDBM40526 CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1
BDBM38499 S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18|
BDBM38366 O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM38589 Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12
BDBM37226 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
BDBM41076 Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21
BDBM41465 OC(=O)c1ccc(CSc2nnc([nH]2)-c2ccco2)cc1
BDBM41028 CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM41184 CC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O
BDBM39881 CC1Cc2c(S1)c1cc(ccc1nc2C)C(O)=O
BDBM40697 Oc1ccc(cc1O)-c1cn2CCSc2n1
BDBM40590 Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O
BDBM40679 CCC1=[N+](C)CCn2c(C)ccc12 |c:2|
BDBM40690 [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
BDBM40061 COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1
BDBM39954 Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1
BDBM40079 Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccccc1
BDBM40242 O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
BDBM39188 CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
BDBM43802 CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
BDBM42914 CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
BDBM42928 Clc1ccc2[nH]c(=S)[nH]c2c1
BDBM42248 O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
BDBM45068 Clc1ccc(OCc2nnc(NC(=O)CSc3ccccc3)s2)cc1
BDBM46057 Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
BDBM46058 OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
BDBM46059 Cc1ccc(C)c(c1)-n1sc2ccc(F)cc2c1=O
BDBM46036 OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
BDBM46079 Fc1ccc(cc1)-n1sc2ccccc2c1=O
BDBM46086 Fc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
BDBM46087 COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
BDBM45603 S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
BDBM45680 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)CNCc2ccccn2)c1
BDBM44137 Sc1nnc(Nc2ccccc2)s1
BDBM44063 COc1cccc(Nc2nnc(S)s2)c1
BDBM48453 COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1
BDBM48263 Cc1nc(O)c(N=Nc2cccc(c2)C(O)=O)n1-c1ccccc1 |w:6.5|
BDBM48460 O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
BDBM48462 CCCCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM48549 COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
BDBM48646 CCn1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
BDBM48647 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1
BDBM48664 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1
BDBM48480 [#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
BDBM48809 COCc1c(N)c(C)nc(Cl)c1C#N
BDBM48851 Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
BDBM48673 COC(=O)c1ccc(CSc2nnc(S)s2)o1
BDBM49012 CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
BDBM48739 FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3ccccc3)c2c1
BDBM48782 COc1ccc(cc1)C(=O)OCC[N+]1(C)CCOCC1
BDBM47052 COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
BDBM47179 COc1ccc(Cl)cc1-c1n[nH]c(=S)n1CC=C
BDBM47696 COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
BDBM48625 CCOc1cc(ccc1O)C(=S)N1CCOCC1
BDBM47280 Cc1cccc(c1)-n1c(n[nH]c1=S)-c1ccco1
BDBM48826 CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
BDBM47782 COc1ccccc1-n1c(n[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
BDBM48373 Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
BDBM47791 CCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
BDBM47823 CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|
BDBM47783 Fc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:9.10|
BDBM47790 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(F)c1)c2=O
BDBM47792 Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
BDBM47803 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
BDBM47719 Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
BDBM47764 Cc1[nH]n(-c2ccccc2)c(=S)c1C=NCCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=S |w:14.16,18.19|
BDBM47776 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1
BDBM47735 CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
BDBM47818 CC(=O)N1CC[n+]2c1scc2-c1ccc(cc1)[N+]([O-])=O
BDBM46615 CCSc1nnc(S)s1
BDBM46833 C[N+](C)(C)C\C=C1\COCO1
BDBM46617 Sc1nnc(Nc2ccccc2Cl)s1
BDBM46796 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O
BDBM46661 COc1ccc(cc1)-c1n[nH]c(=S)[nH]1
BDBM46662 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Br)c1
BDBM46664 COc1ccc2nc(NC(=S)N(C)C)sc2c1
BDBM46667 O=c1n(sc2ccccc12)-c1ccccc1
BDBM46679 COc1ccc(OC)c(c1)\N=c1\ssnc1Cl
BDBM46596 Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
BDBM46685 Cc1ccc(cc1)\N=c1\ssnc1Cl
BDBM46605 Brc1ccccc1-c1n[nH]c(=S)[nH]1
BDBM46606 S=c1[nH]nc([nH]1)C1COc2ccccc2O1
BDBM46607 COc1ccc(cc1OC)-c1n[nH]c(=S)[nH]1
BDBM46610 COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)[nH]1
BDBM46611 Clc1ccccc1-c1n[nH]c(=S)[nH]1
BDBM50998 Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 |t:7|
BDBM51309 COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
BDBM51226 COC(=O)C[n+]1cccc2ccccc12
BDBM50065 Oc1cccc2cc3cccc(O)c3c(O)c12
BDBM50605 COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
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|
BDBM50507 CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3|
BDBM50704 Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
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|
BDBM50715 C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
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
BDBM50645 COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
BDBM49141 Brc1cnc2cc(nn2c1)C(=O)NCc1ccc2OCOc2c1
BDBM49413 CCOc1ccc2nc(NC(=S)N(C)C)sc2c1
BDBM53622 COc1ccc(Cc2n[nH]c(=S)n2N)cc1OC
BDBM52708 Cc1ccc(CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
BDBM52360 NC(=O)C[n+]1cccc2ccccc12
BDBM52328 OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
BDBM52533 OC(=O)c1cccc(c1)-n1cccc1\C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O
BDBM52667 CN(C)c1cccc(c1)C(=O)NN=Cc1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O |w:12.12|
BDBM53230 COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1ccccc1)=NCC(C)C |w:24.27,c:4|
BDBM52718 OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=O)N(Cc2ccccc2F)C1=O
BDBM52908 Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1)C(O)=O
BDBM52843 Nc1ccc(Nc2ccccc2)c(c1)S(O)(=O)=O
BDBM52856 CSc1nnc(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)s1
BDBM51945 S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
BDBM51985 CC(=C)Cn1c(n[nH]c1=S)-c1cccs1
BDBM51772 CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
BDBM51962 CCCCn1c(n[nH]c1=S)-c1nn(C)c(C)c1Cl
BDBM51764 COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
BDBM51971 Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1
BDBM52011 S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
BDBM51976 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18|
BDBM55750 Sc1nnc(NCCc2ccccc2)s1
BDBM55859 CCSS(=O)(=O)c1cccc2cccnc12
BDBM55776 CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
BDBM54747 Cc1cc(C)c2c(n1)sn(CC(=O)NC1CCCC1)c2=O
BDBM54743 O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
BDBM54448 CN(C)c1ccc(\C=C\c2ccc(C)c[n+]2C)cc1
BDBM54759 COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl |c:8|
BDBM54763 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
BDBM55154 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(Cc1ccccc1)c2=O
BDBM54197 CCCCCCCn1ccc(=N)cc1
BDBM58151 COc1ccc(OC)c(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1 |w:10.10|
BDBM56765 COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc(OC)c1OC |w:6.6|
BDBM57042 Cn1c(n[nH]c1=S)-c1cc(Br)ccc1O
BDBM56683 CC[C@]12C=CCN3CCC4(C(N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]1OC(C)=O)C(=O)OC)C23 |c:3|
BDBM57679 CC(C)[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
BDBM56550 Cc1cc(N=NCc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1 |w:4.3|
BDBM60981 C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
BDBM61025 CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
BDBM60691 Sc1nnc(NC(=O)Cn2c3ccccc3oc2=O)s1
BDBM60533 Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)c1 |w:7.7|
BDBM60726 Sc1nnc(NCCCN2CCOCC2)s1
BDBM60747 CSS(=O)(=O)c1cccc2cccnc12
BDBM60753 Cc1c(N2C(=S)S\C(=C\c3ccccc3O)C2=O)c(=O)n(-c2ccccc2)n1C
BDBM60760 COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1O |w:8.8|
BDBM60766 CC(C=Nn1c(n[nH]c1=S)-c1n[nH]c2CCCc12)=Cc1ccco1 |w:3.3,18.21|
BDBM60899 CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM60610 COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc(OC)c1O |w:6.6|
BDBM60611 COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
BDBM60612 Fc1ccc(CCN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
BDBM60915 Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
BDBM60444 Cc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:11|
BDBM60826 O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2sc3CCCc3c12
BDBM60840 S(Sc1ccccn1)c1ccccn1
BDBM60510 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1cccs1 |w:12.13|
BDBM60846 OCc1ccccc1SSc1ccccc1CO
BDBM60854 Cc1cc(C)nc(SSc2nc(C)cc(C)n2)n1
BDBM59059 CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59025 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
BDBM59062 CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59063 CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM59082 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2nc(cs2)-c2ccccn2)C1=O
BDBM59036 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccco1 |w:3.3,16.18|
BDBM59053 Oc1ccc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc1O |w:6.6|
BDBM60102 CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O |(3.08,-4.21,;4.41,-4.98,;5.75,-4.21,;7.08,-4.98,;7.08,-6.52,;8.41,-7.29,;9.75,-6.52,;9.75,-4.98,;8.41,-4.21,;8.41,-2.67,;9.66,-1.76,;11.13,-2.24,;9.18,-.3,;7.64,-.3,;6.74,.95,;7.37,2.36,;6.6,3.69,;7.63,4.83,;9.03,4.21,;8.87,2.68,;10.37,4.98,;10.37,6.52,;11.7,7.29,;13.03,6.52,;13.03,4.98,;11.7,4.21,;7.17,-1.76,;5.7,-2.24,)|
BDBM59801 Oc1ccc(cc1)-c1n[nH]c(=S)[nH]1
BDBM59808 S=c1[nH]nc([nH]1)-c1ccco1
BDBM60139 CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
BDBM59578 S=c1[nH]nc([nH]1)C1CCCCC1
BDBM58899 CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
BDBM62839 CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12
BDBM62937 CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC
BDBM62433 CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1
BDBM61876 [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
BDBM62590 Nn1c(n[nH]c1=S)-c1cccc(Br)c1
BDBM61634 Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
BDBM61723 CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
BDBM62122 FC(F)(F)c1cccc(Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
BDBM61694 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Br)c(C)c1)c2=O
BDBM61900 OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
BDBM61758 COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
BDBM61659 COc1ccc(OC)c(c1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:21|
BDBM61316 CC(C)[N+](C)(C)CC#CC(O)(c1ccccc1)c1ccccc1
BDBM61359 COc1cccc(NC(=O)c2ccc[n+](C)c2)c1
BDBM61360 Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)c(C)c1
BDBM61322 COc1ccc(cc1)C(CC(=O)N1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
BDBM61362 CCN1C(C)=C([C@@H](N=C1NCCOC)c1cccc(F)c1)C(=O)OC |c:4,7|
BDBM61365 CCN1C(C)=C([C@@H](N=C1NCC=C)c1ccccc1)C(=O)OC |c:4,7|
BDBM61366 CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCCOC)C(=O)OC |c:16|
BDBM61368 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1CCc1ccccc1 |c:4,22|
BDBM61370 COCCN1C(NCCCOC(C)C)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:13,20|
BDBM61376 COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2[N+]([O-])=O)c(OC)c1
BDBM61377 COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1C
BDBM61382 CCN1C(C)=C([C@@H](N=C1NCC=C)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
BDBM61387 CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
BDBM61585 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccccc1 |c:4,26|
BDBM61391 CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCN(CC)CC1
BDBM61331 C[N+]1(CC(O)c2ccccc2)CCCCCC1
BDBM61332 COc1ccccc1NC(=O)c1cc[n+](C)cc1
BDBM61296 C[N+]12CCCCC1[C@@H](CO)CCC2
BDBM61336 Cc1cccc(c1)C(=O)Nc1ccc(cc1C)S(=O)(=O)N1CCOCC1
BDBM61298 Cc1nc2ccc(NC(=O)C3COc4ccccc4O3)cc2s1
BDBM61339 C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
BDBM61340 CCOC(=O)COc1ccc(Br)cc1C=C1SC(N)=NC1=O |w:14.14,c:19|
BDBM61300 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NN=Cc1ccc[n+](C)c1)(C2)C3 |w:15.15,TLB:8:1:25:6.9.5,8:6:25:1.24.2,THB:5:6:24:3.25.2|
BDBM61302 Oc1ccccc1C=N[n+]1ccccc1 |w:8.9|
BDBM61266 CCCCCn1ccc(=N)cc1
BDBM61268 C[n+]1ccc(cc1)-c1ccncc1
BDBM61271 Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
BDBM61313 COC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1
BDBM61348 COc1ccc(\C=C2\N(C)C(=O)CNC2=O)cc1
BDBM61279 CCn1c(C)[n+](CC(O)COCC2CCC=CC2)c2ccccc12 |c:15|
BDBM61280 COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1
BDBM61309 CCCCCn1c2CCCc2c(=N)c2ccccc12
BDBM61310 CCCn1c2CCCc2c(=N)c2CCCc12
BDBM61350 C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c1ccccc1
BDBM61351 CC(=O)OC(C[N+]1(C)CCCCCC1)c1ccccc1
BDBM61352 CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(C)c2c1
BDBM61355 CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(CC)c2c1
BDBM61314 Cn1ccccc1=Nc1cccc[n+]1C
BDBM61356 CC(C)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM65990 Clc1ccc(NC(=O)c2cccc(c2)N2C(=O)C=CC2=O)c(Cl)c1 |c:18|
BDBM66051 Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
BDBM66135 Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
BDBM65214 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
BDBM65113 S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccs1 |w:12.13|
BDBM65610 CC[n+]1cc(C)ccc1\C=C\c1ccc(cc1)N(C)C
BDBM65286 CCOc1cc(\C=C(/C#N)C(=O)NCC2CCCO2)ccc1OCC(N)=O
BDBM63545 CCOc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2c1 |c:8|
BDBM63548 C[N+]1(CC2COC(O2)c2ccco2)CCCCC1
BDBM63857 COc1ccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc1OC |w:7.7|
BDBM67352 Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccccn2)c(F)c1
BDBM67584 COc1cc(ccc1O)C1Nn2c(S1)nnc2-c1ccccc1OC
BDBM66662 Nc1ccccc1SC(C[N+]([O-])=O)c1ccccc1
BDBM71807 CC1CCCCC1NC(=O)CSc1nnc(CNC(=O)COc2c(C)cccc2C)n1C
BDBM71283 CS(=O)(=O)c1nc(nn1CCCc1ccccc1)[N+]([O-])=O
BDBM71291 Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
BDBM69520 S=c1[nH]c(cn1N=Cc1ccncc1)-c1ccccc1 |w:6.6|
BDBM70619 Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1
BDBM69196 Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccncc1 |w:13.14|
BDBM68867 CCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
BDBM68971 COc1cccc(c1)C(=O)N\N=C\c1ccc(Oc2ccc(cn2)[N+]([O-])=O)c(OC)c1
BDBM68944 CCn1c(\C=C\N(C(C)=O)c2ccccc2)[n+](CC)c2ccc(Cl)cc12
BDBM73048 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1
BDBM76188 Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
BDBM75039 CCCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
BDBM75812 CCN(CC)C(=O)c1ccc(\C=C\c2c[nH]c3ccccc23)[n+](C)c1
BDBM75488 O=C(COc1cccc2cccnc12)NN=Cc1cn(CC#C)c2ccccc12
BDBM75825 CCN1\C(Sc2ccccc12)=C\c1cc[n+](CCCS([O-])(=O)=O)c2ccccc12
BDBM74297 Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
BDBM74240 CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1
BDBM77238 Cc1ccc(C)c(NC(=O)c2nnc[nH]2)c1
BDBM78637 S=c1[nH]cnc2c3ccccc3[nH]c12
BDBM77703 Cn1c(n[nH]c1=S)-c1sc2ccccc2c1Cl
BDBM78218 CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O
BDBM78055 Cc1cc(C)cc(OCC(=O)N2N=C(CC2(O)C(C)(C)C)C(F)(F)F)c1 |c:12|
BDBM80674 CCN(CC)C(=O)c1ncn(C)c1C(=O)N(CC)CC
BDBM80675 OC(=O)Cc1ccc(s1)S(=O)(=O)N1CCCC1
BDBM80676 O=C(OCC(=O)N1CCCCC1)\C=C\c1ccco1
BDBM79500 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
BDBM79502 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
BDBM80538 COC(=O)Cn1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
BDBM80539 CC[n+]1ccc(\C=C\c2c[nH]c3ccccc23)cc1
BDBM80540 CCN(CC)C(=O)Cn1c(C)c(\C=C\c2cc[n+](C)cc2)c2ccccc12
BDBM80643 CO[C@]1(NC(=O)C2SC(S2)=C(C(N)=O)C(O)=O)[C@H]2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O |wU:17.32,2.2,wD:2.1,c:30,(12.4,-3.66,;13.74,-2.89,;13.74,-1.35,;15.28,-1.35,;16.05,-2.69,;15.27,-4.02,;17.59,-2.69,;17.59,-1.15,;19.13,-1.15,;19.13,-2.69,;20.22,-.07,;21.71,-.47,;22.8,.62,;22.1,-1.96,;19.82,1.42,;20.92,2.51,;18.34,1.82,;12.19,-1.34,;10.85,-2.11,;9.52,-1.34,;9.52,.2,;8.18,.97,;6.85,.2,;5.52,.97,;4.11,.34,;3.08,1.48,;3.85,2.82,;5.36,2.5,;6.5,3.53,;10.85,.97,;12.19,.2,;13.74,.2,;14.83,1.29,;10.85,2.51,;9.52,3.28,;12.19,3.28,)|
BDBM80644 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1C
BDBM80645 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 |c:14,20,24|
BDBM80646 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1ccccc1F
BDBM80647 CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NC1CC(C)(C)NC(C)(C)C1
BDBM80648 NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
BDBM80649 CCN1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1C
BDBM80650 CC(C)(C)c1ccc(NC(=O)C2=CN3C=CS(=O)(=O)NC3C=C2)cc1 |c:14,22,t:11|
BDBM80651 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1CCCCC1
BDBM80652 COc1cc(C)c(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1OC
BDBM80653 CC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccc(NC(C)=O)cc3)n2)cc1
BDBM80654 Fc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1
BDBM80655 COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cn1
BDBM80656 O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1N1CCCC1=O
BDBM80657 COc1ccccc1NC(=O)COC(=O)c1cc2CCCc2s1
BDBM80658 COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)CN1C(=O)NC2(CCCCC2)C1=O
BDBM80659 COc1ccc(C)cc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O
BDBM80660 CCN1C(C)=C([C@@H](NC1=NCC1CC1)c1ccccc1)C(=O)OC |w:9.10,c:4|
BDBM80661 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCOC(C)C)=N[C@H]1c1ccccc1 |c:4,24|
BDBM80662 CCN1[C@H](C)[C@H]([C@@H](NC1=NCC1CC1)c1ccccc1)C(=O)OC |w:9.10|
BDBM80663 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1 |c:4,27|
BDBM80664 CCN1[C@H](C)[C@H]([C@@H](N=C1NCCOC)c1ccccc1)C(=O)OC |c:7|
BDBM80665 CCN1[C@H](C)[C@H]([C@@H](N=C1NCCCOC(C)C)c1ccccc1)C(=O)OC |c:7|
BDBM80666 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,22|
BDBM80667 CCN1C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:18,25|
BDBM80668 CCN1C(C)=C([C@@H](N=C1NCCOC)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
BDBM80669 CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCCCOC(C)C)C(=O)NCCCOC(C)C |c:16|
BDBM80670 Cn1cnc(C(=O)N2CCN(CC2)c2ccccc2)c1C(=O)N1CCN(CC1)c1ccccc1
BDBM80671 CN(Cc1ccccc1)C(=O)c1ncn(C)c1C(=O)N(C)Cc1ccccc1
BDBM80672 Cc1ccc(CNC(=O)CCNC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM80673 CC1CCN(CC1)C(=O)c1ncn(C)c1C(=O)N1CCC(C)CC1
BDBM80108 CCn1c(N)c(sc1=S)C(=O)NCC1CCCO1
BDBM80109 COC(=O)C=c1sc2nc3ccccc3n2c1=O
BDBM80110 CCOC(=O)c1ccc(NC(=O)Cc2sc3ncnn3c2O)cc1
BDBM80156 Cn1cccc1C=Nn1c(n[nH]c1=S)-c1ccccc1 |w:7.8|
BDBM80157 CCCC(C)c1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1
BDBM80158 [O-][N+](=O)c1cccc([CH+][N-]n2c(n[nH]c2=S)-c2cccnc2)c1
BDBM80199 Cn1cccc1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:7.8|
BDBM80200 Cc1cc(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
BDBM80201 Oc1ccc(cc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM80202 Oc1ccc(cc1)C(=S)N1CCN(CC1)c1cccc(Cl)c1
BDBM80245 COc1ccc2c(C)cc3n[nH]c(=S)n3c2c1
BDBM80246 S=c1[nH]c(cn1N=Cc1cccnc1)-c1ccccc1 |w:6.6|
BDBM80247 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=S)c1cccc(c1)[N+]([O-])=O
BDBM80327 [O-][N+](=O)c1ccccc1SC1C(=O)NC(=O)NC1=O
BDBM80329 OC(=O)c1cccc(NC(=O)CSc2cnn[nH]2)c1
BDBM80330 CCCC(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
BDBM80331 CCC(C)(C)c1nnc(NC(=O)C2CCN(CC2)C(=O)c2ccco2)s1
BDBM80332 CCC(CC)c1nnc(NC(=O)COc2ccc3OCOc3c2)s1
BDBM80333 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1
BDBM80334 CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
BDBM80367 COc1cc(cc(Br)c1OC)C(N)=O
BDBM80368 O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc12
BDBM80369 O=C(NCCOc1ccccc1)c1nnc[nH]1
BDBM80370 Clc1cc(NC(=O)CSc2nnnn2-c2ccccc2)ccc1N1CCOCC1
BDBM80371 Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1
BDBM80451 CC(C1OCC(C[N+]2(C)CCCCC2)O1)c1ccccc1
BDBM80452 CCCc1n(CC)c2ccccc2[n+]1CC(O)COC1CCCCC1
BDBM80453 CC1(C)Oc2ccccc2C2OC(C)(CCC12)C#CC[N+]1(C)CCCCC1
BDBM80494 CCOC(=O)Cn1c(C)[n+](C)c2cc(Cl)c(Cl)cc12
BDBM80495 CC1CC2(C)C3=C(CCCC3)CC[N+]2(C)C1 |t:5|
BDBM80496 Cc1ccccc1\C=C\c1cc[n+](C)cc1
BDBM80541 Cc1[n+](C)c(Cc2ccccc2)cc2ccccc12
BDBM80542 C[n+]1ccccc1\C=C\c1ccc2ncccc2c1
BDBM80543 C[n+]1ccccc1\C=C\c1ccccc1Cl
BDBM80544 Cc1cccnc1NC(=O)CN1C(=O)COc2ccc(Cl)cc12
BDBM80613 COc1ccc(CN2CCNCC2)c(OC)c1OC
BDBM80111 CC(C)Cn1c(n[nH]c1=S)-c1ccccc1F
BDBM80112 CCn1c(n[nH]c1=S)-c1cccc(Br)c1
BDBM80113 CCn1c(CSc2nc3ccccc3[nH]2)n[nH]c1=S
BDBM80114 C(c1nnc2sc(nn12)-c1ccccc1)n1cnc2ccccc12
BDBM80115 O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
BDBM80159 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1ccccc1[N+]([O-])=O
BDBM80160 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1sccc1C |w:12.13|
BDBM80161 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
BDBM80203 O=C(NC1CCCCCC1)c1ccc[nH]c1=S
BDBM80248 Nn1c(n[nH]c1=S)C1COc2ccccc2O1
BDBM80249 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:12.13|
BDBM80250 CNc1nnc(S)s1
BDBM80251 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)[C@H]2CCC(=O)N2)C(N)=O)C1 |t:13|
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|
BDBM80253 CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccc(OC)cc1
BDBM80292 CC(=O)c1sc2nsc(SCCN3CCOCC3)c2c1N
BDBM80293 Cc1cc(C)c2c(N)c(sc2n1)-c1n[nH]c(=S)n1CC=C
BDBM80294 COc1ccc(O)c(c1)C(=O)C1N(C(=O)c2ccccc12)c1ccc(C)cc1
BDBM80454 C[N+]1(CCOC(=O)C2(CCCC2)c2ccccc2)CCCCC1
BDBM80455 OC(=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2ccccc2Cl)s1
BDBM80497 CC1C[N+](C)(C)C(C)CC1(O)C#CC=C
BDBM80499 CCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
BDBM80500 CCn1c(C)[n+](Cc2ccccc2)c2ccc(cc12)C(=O)OC
BDBM80501 COc1ccc(\C=N\NC(=O)C(C)Sc2ccccn2)cc1[N+]([O-])=O
BDBM80545 Cc1ccc(C)c(NC(=O)c2cc[n+](C)cc2)c1
BDBM80546 CN(C)S(=O)(=O)c1ccc(o1)C(=O)NCC[N+]1(C)CCCCCC1
BDBM80677 [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)\C=C\c1ccco1
BDBM80678 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)C1CCN(C)CC1
BDBM80679 CCCCN(C(=O)c1cnccn1)c1c(N)n(CCC)c(=O)[nH]c1=O
BDBM80680 [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)[NH+]=C1[N-]CCS1 |w:21.22|
BDBM80681 CSc1ccccc1NC(=O)CN(C)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
BDBM80682 COc1ccc(Br)cc1CN(C)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 |c:15,21,25|
BDBM80162 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1ccc(C)s1 |w:12.13|
BDBM80163 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1cccc(c1)[N+]([O-])=O
BDBM80164 COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1OC |w:7.7|
BDBM80204 CCCc1cc(cs1)-c1n[nH]c(=S)n1CC
BDBM80205 COc1ccccc1NS(=O)(=O)c1cc(N)ccc1N1CCCCC1
BDBM80206 CCn1c(CCCCc2n[nH]c(=S)n2CC)n[nH]c1=S
BDBM80291 COCCCNC(=S)NNC(=S)Nc1ccccc1
BDBM80372 Cc1nn(-c2nnn[nH]2)c2oc(=O)cc(C)c12
BDBM80373 COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC
BDBM80374 CC1CCCC(C1=O)C1(O)C(=O)Nc2ccccc12
BDBM80456 CC1CC(C)=CC(C)C1C[N+]1(C)CCCCC1 |c:4|
BDBM80457 CCn1c(C)cc(\C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C
BDBM80458 [O-][N+](=O)c1ccccc1CC=CN=Nc1nc(nc(n1)N1CCCCC1)N1CCCCC1 |w:13.14,11.12|
BDBM80459 Fc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1
BDBM80502 C[N+](C)(C)CCCNC(=O)c1ccc(CN=O)nc1
BDBM80503 CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
BDBM80547 CN1C(=O)S\C(=C/c2cc(C)n(c2C)-c2ccc(cc2)S(N)(=O)=O)C1=O
BDBM80548 COc1cccc(c1)N1[C@@H](CC(O)=O)c2ccc(\C=C\C(O)=O)cc2S1(=O)=O
BDBM80549 COC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccc(cc2C)C(O)=O)C1=O
BDBM80116 Oc1c(CC(=O)Nc2ccc(Br)cc2)sc2ncnn12
BDBM80117 Cn1c(n[nH]c1=S)-c1ccc(cc1)C(C)(C)C
BDBM80118 Clc1cccc(c1)-c1n[nH]c(=S)n1CC=C
BDBM80165 COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1O |w:8.8|
BDBM80166 [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)-c1cccnc1
BDBM80207 OC1=NN=C(CSc2nnc(S)s2)CS1 |t:1,3|
BDBM80208 S=c1[nH]nc(-c2ccco2)n1N=Cc1ccccn1 |w:11.12|
BDBM80209 S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccncc1 |w:14.15|
BDBM80210 CN(C)c1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)cc1 |w:8.8|
BDBM80254 Clc1cccc2c1nc1-c3ccccc3Cn1c2=O
BDBM80335 Clc1cccc(Cl)c1C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:19|
BDBM80336 CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(CC)cc3)nnc2n1
BDBM80337 Nn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
BDBM80375 O=C(CSC1=NCCS1)NC1CCCCC1 |t:4|
BDBM80376 Cc1c(NC(=O)c2cc(ccc2Cl)-n2cnnc2)cccc1-c1nc2ccccc2o1
BDBM80377 Clc1ccc(cc1C(=O)NCc1ccc2OCOc2c1)-n1cnnc1
BDBM80460 OC(=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
BDBM80504 CC[n+]1cccc(c1)-c1nc2ccccc2s1
BDBM80505 [H]C12CCC([H])(CC(C1)OC(=O)c1ccccc1)[N+]2(C)C
BDBM80506 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:4|
BDBM80507 [O-][N+](=O)c1ccc(C[n+]2cccc3ccccc23)cc1
BDBM80550 [O-][N+](=O)c1ccc2nc(sc2c1)N1CCCC1
BDBM80119 Brc1ccc(C=Nn2cn[nH]c2=S)cc1 |w:6.6|
BDBM80120 Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S
BDBM80121 S=c1[nH]c2CCCCc2cc1C#N
BDBM80122 CCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
BDBM80167 CCOC(=O)c1sc(N=NCc2ccccc2)nc1C |w:8.7|
BDBM80168 [O-][N+](=O)c1ccc(cc1)-c1n[nH]c(=S)n1CC=C
BDBM80169 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)s1 |w:6.6|
BDBM80211 S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccncc1 |w:12.13|
BDBM80212 S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccco1 |w:14.15|
BDBM80255 CCC1(C)CC(CCO1)C(N)=S
BDBM80256 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1cccc(O)c1 |w:12.13|
BDBM80257 S=c1[nH]nc(-c2cccnc2)n1N=Cc1ccccc1 |w:12.13|
BDBM80258 CC(C=Nn1c(n[nH]c1=S)-c1cccnc1)=Cc1ccco1 |w:3.3,16.18|
BDBM80259 CC(C=Nn1c(n[nH]c1=S)-c1cc(C)[nH]n1)=Cc1ccco1 |w:3.3,16.18|
BDBM80260 COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c(OC)c1OC |w:7.7|
BDBM80261 COc1ccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc1 |w:7.7|
BDBM80262 COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
BDBM80295 CCOC(=O)CSc1nnc(S)s1
BDBM80296 OC(=O)CC(Sc1nnc(S)s1)C(O)=O
BDBM80378 Cn1c(Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1
BDBM80379 CC(C)Cc1cc(-c2ccco2)c(C#N)c(NC(C)=O)n1
BDBM80380 Brc1cnc2cc(nn2c1)C(=O)NCCc1ccccc1
BDBM80461 OC(=O)c1ccccc1SC1C(=O)CCCC1=O
BDBM80462 [H]C12C=CC([H])(C3C1C(=O)N(N\C=C1/C=C(C(=O)C=C1O)[N+]([O-])=O)C3=O)C21CC1 |c:2,15,19,TLB:8:7:26:2.3,THB:24:6:26:2.3|
BDBM80463 C[n+]1cc(ccc1\C=C\c1c[nH]c2ccccc12)C(=O)N1CCCCC1
BDBM80464 CC(C)CC1CCCCC1OC(=O)C[N+]1(C)CCCCC1
BDBM80508 CCN(CC)P(N(CC)CC)c1n(C)cc[n+]1C
BDBM80509 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:4|
BDBM80510 Cc1ccc[n+](CC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1
BDBM80551 COc1ccc2c(\C=C\c3cc[n+](C)cc3)c[nH]c2c1
BDBM80552 CCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc12
BDBM80553 CC(C)CC[n+]1ccccc1\C=C\c1ccc(cc1)N(C)C
BDBM80123 Cc1ccc2N(C(=O)c3ccco3)C(C)(C)c3ssc(=S)c3-c2c1
BDBM80124 COC(=O)C(C)Sc1nnc(S)s1
BDBM80125 Cc1[nH]c(=S)c(C#N)c2CCCCc12
BDBM80170 S=c1[nH]nc(-c2ccco2)n1N=Cc1cccs1 |w:11.12|
BDBM80171 Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
BDBM80172 CC(C=Nn1c(n[nH]c1=S)-c1ccco1)=Cc1ccco1 |w:3.3,15.17|
BDBM80173 Clc1ccc(cc1)-n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S
BDBM80174 COc1ccc(cc1)-c1nc2ccccc2c(=O)n1NC(=S)N(C)C
BDBM80213 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)o1 |w:6.6|
BDBM80214 CCOC(=O)c1sc(NC(=O)C(C)C)c(C#N)c1C
BDBM80215 Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:9.10|
BDBM80217 Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:8.9|
BDBM80297 Cc1[nH]c(=S)c(C#N)c(C)c1CCC#N
BDBM80298 C=CCn1c(n[nH]c1=S)-c1ccc2ncccc2c1
BDBM80299 Brc1ccc(s1)S(=O)(=O)N(CC(=O)N1CCOCC1)CC(=O)N1CCOCC1
BDBM80302 CCc1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc12 |w:8.8|
BDBM80303 CCOc1ccc(cc1OCC)C(=S)NC1CCCCC1
BDBM80338 FN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM80339 Oc1ccc(cc1NC(=O)CCCSc1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
BDBM80381 Cc1cc(C)cc(c1)N1CC(CC1=O)c1nc2ccccc2n1C
BDBM80382 CCOc1ccc(cc1)N(CC(=O)Nc1ccccc1)S(C)(=O)=O
BDBM80383 CC(=O)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1
BDBM80422 COc1ccc2=NC(=O)C(NO)=c2c1 |c:11,t:5|
BDBM80423 C[N+]1(CC(O)COc2ccccc2)CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM80424 COc1ccccc1NNC1=Nc2ccc(C)cc2C1=O |t:11|
BDBM80465 O=C(NCC1CCCO1)C(=C\c1c[nH]c2ccccc12)\C#N
BDBM80466 CC(=O)Nc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
BDBM80511 C=CC[n+]1c2CCCCCn2c2ccccc2c1=O
BDBM80512 COc1ccc(cc1)-n1c(C)cc(C(=O)C[N+]23CCN(CC2)CC3)c1C
BDBM80554 CCCn1nc(NC(=O)COC)c2cc3cc(C)ccc3nc12
BDBM80555 CCCCn1nc(NC(=O)COC)c2cc3ccc(C)cc3nc12
BDBM80556 OC(=O)c1ccc(COc2ccc(\C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1
BDBM80557 COCc1cc(C)nc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2C)c1C#N
BDBM80558 OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1ccc(OCC=C)cc1
BDBM80559 COc1ccc(Oc2coc3cc(OC(C)C(O)=O)ccc3c2=O)cc1
BDBM80126 Oc1cc(Sc2nnc[nH]2)c(O)n1-c1ccccc1
BDBM80127 COC(=O)CSc1nnc(S)s1
BDBM80128 CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc-2c1CCc1ccccc-21
BDBM80216 S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccccn1 |w:12.13|
BDBM80300 Brc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
BDBM80301 Cc1[nH]c(=O)[nH]c(=S)c1C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM80305 [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1
BDBM80306 CCN(CC)CCn1c2ccccc2c2nnc(=S)[nH]c12
BDBM80307 CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(Cl)cc1
BDBM80340 O=S(=O)(N1CCOCC1)c1ccc(=S)[nH]c1
BDBM80341 Clc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
BDBM80342 CCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)Nc1ccccc1OC
BDBM80384 COc1ccccc1N(CC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)c1ccccc1
BDBM80385 CC(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
BDBM80386 C[N+](C)(C)c1ccccc1
BDBM80425 COc1ccc(NNC2=Nc3ccc(C)cc3C2=O)cc1 |t:8|
BDBM80426 CCCCNC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1
BDBM80427 Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1
BDBM80467 COc1ccc(cc1CSc1ccccn1)[N+]([O-])=O
BDBM80468 CCSCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1C
BDBM80513 Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)Cc1ccco1
BDBM80514 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
BDBM80515 C[N+](C)=c1ccn(CC(=O)Nc2ccc(OC(F)F)cc2)cc1 |(9.34,15.4,;9.34,13.86,;10.67,13.09,;8,13.09,;8,11.55,;6.67,10.78,;5.33,11.55,;4,10.78,;4,9.24,;5.33,8.47,;2.67,8.47,;2.67,6.93,;1.33,6.16,;1.33,4.62,;2.67,3.85,;2.67,2.31,;1.33,1.54,;1.33,,;,2.31,;4,4.62,;4,6.16,;5.33,13.09,;6.67,13.86,)|
BDBM80560 CN(C)CCCNc1c2ccccc2nc2ccccc12
BDBM80561 COc1ccccc1CCNC(=O)C1CCN(CC1)C(=O)\C=C\c1ccccc1
BDBM80129 CCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
BDBM80130 C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
BDBM80131 COCCCNC(=S)NNC(=S)Nc1ccc(F)cc1F
BDBM80132 OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(Br)cc1
BDBM80175 Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:7.8|
BDBM80176 S=c1[nH]nc(-c2ccccn2)n1N=Cc1ccccc1 |w:12.13|
BDBM80177 S=c1[nH]nc(-c2cccnc2)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
BDBM80218 Cn1c(Cn2nnc(n2)-c2ccccc2)n[nH]c1=S
BDBM80219 CCn1c(CSCc2ccccc2)n[nH]c1=S
BDBM80220 Cc1ccc(cc1Cl)-c1n[nH]c(=S)n1C
BDBM80263 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1ccc(C)o1 |w:12.13|
BDBM80264 COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1 |w:8.8|
BDBM80304 Cc1n[nH]c(=S)n1N=Cc1c(O)ccc2ccccc12 |w:7.7|
BDBM80343 Cc1nnc(N=c2ssnc2Cl)o1
BDBM80344 CC1(C)O[C@@H]2[C@@H](COS([O-])(=O)=O)O[C@H]([C@@H]2O1)n1c2nc(N)[nH]c(=O)c2[nH]c1=S
BDBM80345 CC(C)Cn1c(n[nH]c1=S)-c1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM80387 CCOc1ccc(cc1)\N=C1\SCCCN1C
BDBM80388 CCOC(=O)C1CCN(CC1)C(=O)Cc1cccc2ccccc12
BDBM80389 CCc1nc(no1)-c1ccc(C)nc1OC
BDBM80390 CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1
BDBM80391 C[N+]1(CC(COCc2ccccc2)OC(=O)Cc2ccccc2)CCOCC1
BDBM80392 C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
BDBM80428 C[N+](C)(C)CCCCCC(=O)CN=O
BDBM80429 Fc1ccc(NC(=O)COC(=O)c2cc3CCCc3s2)cc1
BDBM80469 COc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1ccco1
BDBM80470 CCCC[n+]1c(C)sc2cc(OC)ccc12
BDBM80471 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(F)c2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
BDBM80472 CCn1c(C)nc2cc(ccc12)S(=O)(=O)Nc1ccc(C)cc1
BDBM80516 COc1ccc2[nH]c(=O)c(CN(C(C)C)C(=O)c3ccco3)cc2c1
BDBM80517 [H]C12CC[N+](CC1)(CC2C(O)(c1ccccc1)c1ccccc1)C(C)C |THB:9:8:3.2:5.6,(6.05,3.28,;5.56,4.74,;1.72,3.05,;2.49,1.71,;5.16,3.25,;7.98,2.08,;8.38,3.57,;3.65,6.05,;4.99,6.82,;5.38,8.3,;6.87,7.91,;3.9,8.7,;3.5,10.19,;2.01,10.59,;.92,9.5,;1.32,8.01,;2.81,7.61,;5.78,9.79,;7.27,10.19,;7.67,11.68,;6.58,12.77,;5.09,12.37,;4.69,10.88,;4.76,1.76,;5.85,.68,;3.67,.68,)|
BDBM80133 Clc1ccc(cc1)-c1n[nH]c(=S)n1CC1CCCO1
BDBM80134 COCCCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
BDBM80178 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2cccnc2)s1 |w:6.6|
BDBM80179 S=c1[nH]nc(-c2ccncc2)n1N=Cc1ccccc1 |w:12.13|
BDBM80180 [O-][N+](=O)c1ccc([CH+][N-]n2c(n[nH]c2=S)-c2cccnc2)cc1
BDBM80221 CCn1c(Cn2nnc(n2)-c2ccccc2)n[nH]c1=S
BDBM80222 COc1ccc(Cc2n[nH]c(=S)n2C)cc1Br
BDBM80223 COc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccc(C)cc2)c1O
BDBM80265 COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1OC |w:8.8|
BDBM80266 COc1ccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc1 |w:7.7|
BDBM80267 Nc1ccccc1SSc1ccccc1N
BDBM80308 S=c1[nH]c2ccccc2n1Cc1ccccc1
BDBM80346 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1N1CCCC1
BDBM80347 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1
BDBM80348 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2=NNC(=O)CC2)c1 |t:20|
BDBM80430 FC(F)(F)c1cnc(NC(=O)COC(=O)\C=C\c2ccco2)c(Cl)c1
BDBM80431 CCc1cccc(NC(=O)Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
BDBM80432 FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3cccc(c3)C#N)c2c1
BDBM80473 CNC(=O)C(=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)\C#N
BDBM80476 [H]C12CCC([H])(C1OC(C)=O)C(CC2)[N+]1(C)CCCCC1 |TLB:14:11:6:3.2|
BDBM80477 CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
BDBM80478 COc1ccccc1-c1noc(CSc2nc(C)cc(=O)[nH]2)n1
BDBM80518 CC[N+](C)(CC)CC(=O)OCC1C(C)CC(C)=CC1C |c:16|
BDBM80519 CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)c1ccccc1
BDBM80521 CCOc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
BDBM80562 C[n+]1cccc(c1)C(=O)Nc1ccccc1
BDBM80563 CC(NC(=O)C[n+]1cccc(c1)C(C)=O)c1ccccc1
BDBM80135 CCOCCCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
BDBM80136 CCOc1ccc(Nc2nc3cc(ccc3o2)S(=O)(=O)N(CC)CC)cc1
BDBM80137 OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
BDBM80138 Cc1n[nH]c(=S)n1[N-][CH+]c1ccc(o1)-c1ccccc1[N+]([O-])=O
BDBM80181 CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC
BDBM80182 CCN(CC)c1ccc(NC(=O)COc2ccccc2C)cc1S(=O)(=O)Nc1ccccc1OC
BDBM80224 Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
BDBM80225 COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1-c1ccc(C)cc1
BDBM80226 CCc1ccc(cc1)-n1c(C)n[nH]c1=S
BDBM80268 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccccn2)cc1 |w:6.6|
BDBM80269 Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:9.10|
BDBM80270 Fc1ccccc1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:8.9|
BDBM80309 Fc1cccc(c1)-c1n[nH]c(=S)n1-c1ccccc1
BDBM80310 COC(=O)[C@H](C)NC(=O)c1cc2c(cn1)[nH]c1ccccc21
BDBM80311 COC(=O)[C@H](CCSC)NC(=O)c1cc2c(cn1)[nH]c1ccccc21
BDBM80393 C[N+](C)(C)CCOC(=O)C1(CCCC1)c1ccccc1
BDBM80394 CCn1c(C)c2c(CC(C)(C)CC2=O)[n+]1CC
BDBM80395 COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NC(C)C
BDBM80433 CNC(=O)OCc1n(C)cc[n+]1C
BDBM80434 Fc1ccccc1-[#16]-c1ccccc1-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM80474 CC(C)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
BDBM80475 CCn1c(C)[n+](CC)c2ccc(cc12)S(=O)(=O)NC
BDBM80522 Nc1nc2CCCCCCCCCCc2s1
BDBM80523 C[N+](C)(C)CCCN(Cc1ccc2OCOc2c1)C(=O)NC1CCCCC1
BDBM80564 COc1cc(cc(OC)c1OC)\[NH+]=c1/ccccn1C
BDBM80565 CN(C)CC1CCCCC1OC(=O)Cc1ccc(Cl)c(c1)[N+]([O-])=O
BDBM80566 Cc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)s1 |w:5.4,c:17|
BDBM80139 Cc1n[nH]c(=S)n1N=Cc1ccc(Br)o1 |w:7.7|
BDBM80140 S=c1[nH]nc2c3c4CCCCc4sc3ncn12
BDBM80183 Cc1cc(no1)-c1n[nH]c(=S)n1-c1ccc(C)c(C)c1
BDBM80184 CCN(CC)c1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1OC
BDBM80185 S=c1[nH]nc(-c2ccccn2)n1N=Cc1cccc2ccccc12 |w:12.13|
BDBM80186 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCC1
BDBM80187 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1
BDBM80227 COc1cccc2cc(oc12)-c1n[nH]c(=S)n1C
BDBM80228 [O-][N+](=O)c1cccc(c1)-c1n[nH]c(=S)n1CC=C
BDBM80229 Cn1c(n[nH]c1=S)-c1csc(n1)-c1ccccc1
BDBM80230 COc1ccc(cc1)N1C(=O)CS(=O)C(C1=O)c1ccccc1
BDBM80271 S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccccc1 |w:12.13,15.17|
BDBM80272 Nc1n[nH]c(=S)n1-c1ccc(Cl)cc1
BDBM80273 Cc1ccccc1C=Nn1c(n[nH]c1=S)-c1ccccn1 |w:8.9|
BDBM80276 COc1ccccc1C=CC=Nn1c(n[nH]c1=S)-c1ccccn1 |w:11.12,8.8|
BDBM80277 COc1cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc(OC)c1O |w:6.6|
BDBM80278 Clc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnccn3)ccc2N2CCOCC2)cc1
BDBM80279 OC(=O)c1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8|
BDBM80280 COc1cc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc(OC)c1O |w:6.6|
BDBM80281 COc1cccc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1OC |w:8.8|
BDBM80282 Brc1ccc2=NC(=O)C(NNS(=O)(=O)Cc3ccccc3)=c2c1 |c:21,t:4|
BDBM80283 Clc1ccccc1C=Nn1c(n[nH]c1=S)-c1ccncc1 |w:8.9|
BDBM80284 Cc1nc(c(SCc2ccc(O)c(c2)[N+]([O-])=O)[nH]1)[N+]([O-])=O
BDBM80312 COc1cc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc(Br)c1O |w:6.6|
BDBM80313 CCOc1ccc(N)c(SSc2cc(OCC)ccc2N)c1
BDBM80314 C=CCn1c(OCc2ccccc2)n[nH]c1=S
BDBM80349 Cc1nc2nc(C)n(-c3ccccc3)c2s1
BDBM80350 CC(=O)Nc1cc(ccc1O)-c1ccccc1
BDBM80351 CC(=O)Nc1ccc(s1)-c1ccccc1
BDBM80352 O=C(Nc1nc2CCCCc2s1)C1CCCN1C(=O)c1cccs1
BDBM80353 CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O
BDBM80396 CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |w:13.15|
BDBM80397 CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2ccc(OC)cc12
BDBM80435 Cn1c(nc2cc(ccc12)[N+]([O-])=O)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1 |(6.22,12.68,;6.79,11.25,;7.69,10.01,;6.79,8.77,;5.33,9.24,;4,8.47,;2.67,9.24,;2.67,10.78,;4,11.55,;5.33,10.78,;1.33,8.47,;,9.24,;1.33,6.93,;9.23,10.01,;10,8.68,;11.54,8.68,;12.31,10.01,;11.54,11.34,;10,11.34,;10.27,12.86,;9.09,13.85,;9.36,15.37,;10.8,15.89,;11.98,14.9,;11.72,13.39,;13.85,10.01,;14.62,8.68,;16.16,8.68,;16.93,10.01,;16.16,11.34,;14.62,11.34,;9.23,7.34,;7.69,7.34,;6.92,6.01,;7.69,4.67,;9.23,4.67,;10,6.01,)|
BDBM80436 CCc1ccc(OCC(=O)NN=Cc2ccco2)c(c1)[N+]([O-])=O
BDBM80524 CCCc1nc(no1)-c1cc2cc(C)ccc2[nH]c1=O
BDBM80525 CCn1c(SCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc2c1=O
BDBM80526 CC(=O)OC(COC1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1 |TLB:6:7:14:11.10|
BDBM80527 Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc12
BDBM80528 CC(=O)c1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(O)=O
BDBM80529 [O-][N+](=O)c1cc2OCOc2cc1CN=Nc1[nH+]c2ccccc2c(=O)[n-]1 |w:14.16|
BDBM80530 Cn1cc(C=NNC(=O)c2cc3cc(Br)ccc3o2)c2ccccc12
BDBM80531 CC(C)C(CO)N1CCN(Cc2ccccc2)CCC1=O
BDBM80567 Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(ccc1Cl)S(C)(=O)=O
BDBM80568 CCN1C(NCc2ccc(OC)cc2)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:14,21|
BDBM80569 CCN1C(C)=C([C@@H](NC1=NCCN1CCOCC1)c1ccccc1)C(=O)OC |w:9.10,c:4|
BDBM80570 CCN1C(NCCOC)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C |c:8,21|
BDBM80571 COCCNC1=N[C@H](C(C(=O)OC)=C(C)N1Cc1ccccc1)c1ccc(Br)cc1 |t:5,12|
BDBM80572 CCN1C(C)=C([C@@H](NC1=NCC1CC1)c1cccc(c1)C(F)(F)F)C(=O)OC |w:9.10,c:4|
BDBM80573 CCN1C(C)=C([C@@H](N=C1NCCCCO)c1cccc(F)c1)C(=O)OC |c:4,7|
BDBM80574 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2ccccn2)=N[C@H]1c1cccc(F)c1 |c:4,26|
BDBM80575 CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1c[nH]c2ccccc12)c1ccccc1)C(=O)OC |c:7|
BDBM80576 CCN1C(C)=C([C@@H](N=C1N(C)CCc1cccs1)c1ccccc1)C(=O)OC |c:4,7|
BDBM80577 COC(=O)C1=C(C)N(CC2CC2)C(N[C@H]1c1ccccc1)=NCCN1CCOCC1 |w:21.24,c:4|
BDBM80578 CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC |c:7|
BDBM80579 CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccs1)c1ccccc1)C(=O)OC |c:7|
BDBM80580 CCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O
BDBM80581 COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1
BDBM80582 Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1
BDBM80583 Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc23)c1
BDBM80584 CCC(Oc1ccccc1OC)C(=O)Nc1ccc2OCCOc2c1
BDBM80585 C[n+]1cccc(c1)C(=O)NN=Cc1ccc2OCOc2c1
BDBM80586 COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1cccc(Cl)c1
BDBM80587 CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1C(=O)NCC=C
BDBM80588 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2N(C)C(=O)Cc2c1
BDBM80589 Oc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)S([O-])(=O)=O
BDBM80590 CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccn1
BDBM80591 COc1ccccc1OC(C)C(=O)N1CCC(Cc2ccccc2)CC1
BDBM80592 COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1
BDBM80593 Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2)c(C)c1
BDBM80594 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1c1ccccc1 |c:4,22|
BDBM80595 COC(=O)C1=C(C)N(CC2CC2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 |c:4,28|
BDBM80596 COc1ccccc1OC(C)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM80597 COc1ccc(NC(=O)COc2ccc(\C=C\c3cc[n+](C)cc3)cc2OC)cc1
BDBM80598 Clc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1
BDBM80599 COCCN1C(C)=C([C@@H](N=C1NCC=C)c1ccccc1)C(=O)OC |c:6,9|
BDBM80600 CCN1C(C)=C([C@@H](N=C1NCCCCO)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
BDBM80601 Clc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1Cl
BDBM80096 CCN(CC)C(=O)CSc1ncnc2c(nsc12)-c1cccs1
BDBM80141 S=c1[nH]c2CCCCc2c(-c2ccncc2)c1C#N
BDBM80142 Cc1nc2[nH]c(=S)[nH]c2cc1Br
BDBM80143 Cn1nc(c2cc(sc12)-c1n[nH]c(=S)n1C)C(F)(F)F
BDBM80144 CCCCCC(O)CCc1n[nH]c(=S)n1-c1ccccc1
BDBM80145 [O-][N+](=O)c1cc2OCOc2cc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1
BDBM80231 S=c1cnc2ccccc2[nH]1
BDBM80232 COC(=O)Cc1sc(nc1-c1ccccc1)-c1ccccn1
BDBM80233 COc1ccc(OCc2n[nH]c(=S)n2Cc2ccco2)cc1
BDBM80234 CCN(CC)c1ccc(C=Nn2c(CC)n[nH]c2=S)cc1 |w:10.10|
BDBM80235 Clc1cccc(C=Nn2c(n[nH]c2=S)-c2ccccn2)c1 |w:7.7|
BDBM80274 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)s1 |w:6.6|
BDBM80275 Cc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
BDBM80315 CN(CC(=O)Nc1nnc(S)s1)S(=O)(=O)c1cccc2cccnc12
BDBM80316 COc1ccc(c(OC)c1)-n1c(SCC(=O)C(C)(C)C)nc2n(-c3ccccc3)c(=S)sc2c1=O |(3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;5.75,-4.62,;7.08,-3.85,;7.08,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;4.41,-2.31,;8.41,-1.54,;8.41,,;7.08,.77,;7.08,2.31,;5.75,3.08,;4.41,2.31,;5.75,4.62,;5.75,6.16,;4.21,4.62,;7.29,4.62,;9.75,.77,;11.08,,;12.54,.47,;13.02,1.93,;14.52,2.25,;15,3.71,;13.97,4.86,;12.47,4.54,;11.99,3.08,;13.44,-.77,;14.98,-.77,;12.54,-2.01,;11.08,-1.54,;9.75,-2.31,;9.75,-3.85,)|
BDBM80354 O=C1CC(CC(=O)C1)c1ccco1
BDBM80355 COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
BDBM80398 CCC(=O)Nc1cc(ccc1S(=O)(=O)c1ccc(C)cc1)C(O)=O
BDBM80399 C[N+]1(CC(=O)OCCCc2ccccc2)CCOCC1
BDBM80400 COCc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1C#N
BDBM80437 CC1=CC(C)(C)[N+](C)=CN1c1ccccc1 |c:7,t:1|
BDBM80438 C[n+]1cccc(c1)C(=O)NCC1CCCO1
BDBM80439 CCc1ccc(\C=C\c2c[nH]c3ccccc23)[n+](CC)c1
BDBM80440 COc1ccc(NC(=O)C(=O)N2N=C3CCCCC3C2(O)C(F)(F)F)cc1 |t:12|
BDBM80479 CC1=CC(C)(C)[N+](C)(C)c2ccc(C)cc12 |t:1|
BDBM80480 CC(C)C1CCC(C)CC1OCC(O)C[N+]1(C)CCCCC1
BDBM80481 Cc1ccc(CCCOC(=O)C[N+]2(C)CCCCC2)cc1
BDBM80482 CC(C)[N+](C)(C)CC(O)CN(c1ccccc1)c1ccccc1
BDBM80483 CCc1n(CC(O)COCC2CCC=CC2)c2ccccc2[n+]1C |c:13|
BDBM80535 COc1cc(\C=C(\C#N)C(=O)NCCCc2ccccc2)ccc1OCC(O)=O
BDBM80602 CN1CCCN(CC1)S(=O)(=O)c1ccccc1
BDBM80603 CCN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccc(F)cc1Cl)S(=O)(=O)N1CCCCC1
BDBM80604 CN(CC(=O)Nc1ccc(Br)cc1C)C(=O)Cn1c2ccccc2ncc1=O
BDBM80097 CSc1nc(=NC(C)=O)ss1 |w:5.5|
BDBM80098 CCc1c(C)[nH]c(=S)c(C#N)c1C
BDBM80146 COc1ccc(CC(=S)N2CCOCC2)cc1
BDBM80188 CCc1cc(cs1)-c1n[nH]c(=S)n1CC
BDBM80189 CC(C)Cn1c(n[nH]c1=S)-c1csc(C)c1
BDBM80317 CCN(CC)C(=O)CSc1nc2n(-c3ccccc3)c(=S)sc2c(=O)n1-c1ccc(OC)cc1OC |(4.41,6.55,;4.41,5.01,;5.75,4.24,;7.08,5.01,;7.08,6.55,;5.75,2.7,;4.41,1.93,;7.08,1.93,;7.08,.39,;8.41,-.39,;9.75,.39,;11.08,-.39,;12.54,.08,;13.02,1.55,;14.52,1.87,;15,3.33,;13.97,4.48,;12.47,4.16,;11.99,2.69,;13.44,-1.16,;14.98,-1.16,;12.54,-2.39,;11.08,-1.93,;9.75,-2.7,;9.75,-4.24,;8.41,-1.93,;7.08,-2.7,;7.08,-4.24,;5.75,-5.01,;4.41,-4.24,;3.08,-5.01,;3.08,-6.55,;4.41,-2.7,;5.75,-1.93,;5.75,-.39,;4.41,.39,)|
BDBM80318 S=c1nc(-c2ccccc2)n([nH]1)-c1ccccc1
BDBM80319 CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1
BDBM80356 CCC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)NCc2ccco2)n1C
BDBM80357 CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-]
BDBM80358 CN(C(=O)CN1C2CCN(C)CC2c2cc(C)ccc12)c1ccccc1
BDBM80401 C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
BDBM80402 C[N+]1(CCCCCCC(=O)CN=O)CCCCCC1
BDBM80404 CC1(CC(=O)N[NH+]=C[c-]2cc([N+]([O-])=O)c(=O)cc2O)OCCO1 |w:6.5|
BDBM80441 Cc1n(C)c2cc(Cl)ccc2[n+]1Cc1ccccc1
BDBM80442 [H]C12CCC(C)(C[N+](C)(C)C1)C2(C)C
BDBM80484 CC1=CC(C)(C)[N+](C)(C)c2ccccc12 |t:1|
BDBM80605 COc1cccc(CNC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)c1
BDBM80606 Nn1c(SCC(=O)Nc2ccc3OCCOc3c2)nnc(CCC(O)=O)c1=O
BDBM80607 CN1CCN(CC(=O)Nc2sc3CCCCc3c2C(=O)Nc2ccccc2)CC1
BDBM80608 N=C1N2N=C(CC(=O)N3CCCC3)SC2=NC(=O)\C1=C/c1ccco1 |c:16,t:3|
BDBM80609 O=C(CSc1nc2sccc2c(=O)[nH]1)N1CCN(CC1)c1ccccc1
BDBM80610 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1
BDBM80611 Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)cc(O)c3)ccc12
BDBM80612 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
BDBM80099 S=c1[nH]nc(-c2ccco2)n1C1CCCCC1
BDBM80100 COc1cc(OC)cc(c1)-c1n[nH]c(=S)n1CC=C
BDBM80101 CCOCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1cccnc1
BDBM80147 S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1
BDBM80148 CCn1c(n[nH]c1=S)-c1cc2c(nn(C)c2s1)C(F)(F)F
BDBM80149 Cc1nc(sc1-c1n[nH]c(=S)n1C)-c1ccccc1
BDBM80190 CCCCn1c(n[nH]c1=S)-c1ccco1
BDBM80191 CC(C)Cn1c(n[nH]c1=S)-c1ccc(Br)o1
BDBM80192 CC(C)Cn1c(n[nH]c1=S)-c1sccc1C
BDBM80193 CCCOC(=O)c1c(C)c(sc1NC(=O)C1CCCO1)C(=O)OC
BDBM80194 S=c1[nH]nc(COc2ccccc2)n1N=Cc1cccnc1 |w:14.15|
BDBM80236 Clc1ccc(cc1)-n1cc[nH]c1=S
BDBM80237 Nn1c(Cc2cccc3ccccc23)n[nH]c1=S
BDBM80238 Cc1cccc(C)c1OCc1n[nH]c(=S)n1N
BDBM80239 CCN(CC)S(=O)(=O)c1cccc(c1)-c1n[nH]c(=S)n1C
BDBM80320 Cn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM80321 CCOCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM80324 COc1ccc(NC(=S)c2ccc3ccccc3n2)cc1
BDBM80325 FC(F)Oc1ccc(C=Nn2c(Cc3ccc(Br)cc3)n[nH]c2=S)cc1 |w:9.9|
BDBM80326 O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2ccccc12
BDBM80359 COc1ccc2sc(NC(=O)c3ccco3)nc2c1
BDBM80360 CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNCCO)C1=O |w:16.18|
BDBM80405 C[n+]1cc(-c2ccccc2)n2CCCCCc12
BDBM80406 CSCC[C@H](NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1)c1nc2ccccc2[nH]1
BDBM80407 CC(C)C(NC(=O)COc1ccc2ccccc2c1)C(=O)NN=C\C=C\c1ccccc1
BDBM80408 COc1ccc(CSCC(=O)NN=Cc2ccc(OCC(=O)N3CCCCC3)cc2)cc1
BDBM80409 CC(C)C(NC(=O)c1ccc2OCOc2c1)C(=O)NN=Cc1ccco1
BDBM80443 [H]C12CCC(C)(C[N+](CC)(CC)C1)C2(C)C
BDBM80444 CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc12
BDBM80445 CC(C)(C)C1CCC(CC1)OC(=O)C[N+]1(C)CCCC1 |(6.04,12.75,;6.04,11.21,;7.58,11.21,;4.5,11.21,;6.04,9.67,;7.37,8.9,;7.37,7.36,;6.04,6.59,;4.7,7.36,;4.7,8.9,;6.04,5.05,;4.7,4.28,;3.37,5.05,;4.7,2.74,;3.37,1.97,;4.52,.94,;2.6,3.31,;1.09,2.98,;.93,1.45,;2.34,.83,)|
BDBM80446 CC(=O)Nc1nnc(SCc2ccc(cc2)C(=O)Nc2ccccc2F)s1
BDBM80485 C[N+]1(CC(=O)OCCCc2ccccc2)CCCCC1
BDBM80486 CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
BDBM80487 CCc1n(CC(O)COC2CCCCC2)c2ccccc2[n+]1C
BDBM80532 COC(=O)c1ccccc1NC(=O)c1cc[n+](C)cc1
BDBM80614 C\C(Nc1cc(C)cc(C)c1)=[N+](\C)CCNS(=O)(=O)c1ccc(Cl)cc1
BDBM80615 CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(F)cc1)S(=O)(=O)N1CCCCC1
BDBM80616 CC(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
BDBM80617 CCN1CCN(CC1)c1ccc(cc1NC(=O)Cc1ccccc1)S(=O)(=O)N1CCCCC1
BDBM80618 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)C=Cc1ccco1 |w:17.17,c:11|
BDBM80619 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
BDBM80620 CCOc1ccccc1OCC(=O)Nc1cc(ccc1N1CCN(CC)CC1)S(=O)(=O)N1CCCCC1
BDBM80621 CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(c1)-n1cccc1
BDBM80622 CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1
BDBM80623 CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(C)CC1
BDBM80624 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)C(c1ccccc1)c1ccccc1
BDBM80625 CC(Oc1ccc(F)cc1)C(=O)Nc1cc(ccc1N1CCN(C)CC1)S(=O)(=O)N1CCOCC1
BDBM80626 CCN1CCN(CC1)c1ccc(cc1NC(=O)c1c(C)onc1CC)S(=O)(=O)N1CCOCC1
BDBM80627 CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc(c1)C(F)(F)F)S(=O)(=O)N1CCCCC1
BDBM80628 COCCN(C(=O)COC(=O)CNC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM80629 CCCCn1c(N)c(N(CCOC)C(=O)c2cc(nc3ccccc23)-c2ccc(OC)c(OC)c2)c(=O)[nH]c1=O
BDBM80630 CCN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccc(cc1)C(=O)CC)S(=O)(=O)N1CCCCC1
BDBM80631 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1
BDBM80632 CCN1CCN(CC1)c1ccc(cc1NC(=O)C(C)Oc1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
BDBM80633 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1N1CCOCC1
BDBM80634 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(c1)-n1cccc1
BDBM80635 Cc1ccc(o1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
BDBM80636 CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCCCC1
BDBM80637 CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
BDBM80638 CCN1CCN(CC1)c1ccc(cc1NC(=O)\C=C\c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCCCC1
BDBM80639 CCOc1ccc(OCCCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM80640 CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)CC1OC(=O)c2ccccc12
BDBM80641 Fc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
BDBM80642 CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
BDBM80102 CCCCCC(=O)N(O)c1cc(O)n(c1O)-c1ccccc1
BDBM80103 O=C1CC(c2cccs2)C(C#N)=C2SCN(CN12)c1ccccc1 |t:12|
BDBM80104 Cc1cc(=O)n2nc(sc2c1C#N)-c1ccccc1
BDBM80150 Cc1ccc(NNS(=O)(=O)c2ccc(C)cc2)cc1
BDBM80151 CCOc1ccc(cc1OC)C(=S)NC1CCCCC1
BDBM80152 S=c1[nH]nc(-c2cccnc2)n1N=Cc1cccs1 |w:12.13|
BDBM80195 S=c1[nH]nc(COc2ccccc2)n1N=Cc1ccccn1 |w:14.15|
BDBM80240 O=C(Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1)c1cc(nc2ccccc12)-c1ccccn1
BDBM80241 Nn1c(COc2ccc(Cl)cc2)n[nH]c1=S
BDBM80322 C=CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM80323 Sc1nnc(NC(=O)c2ccco2)s1
BDBM80328 CCc1ccc(cc1)-n1c2n[nH]c(=S)n2c2ccccc2c1=O
BDBM80361 CCOC(=O)C(CCCN(CC)CC)N=O
BDBM80362 Cc1ccc(cc1)C(=O)Nc1c(sc(=N)n1CC=C)C#N
BDBM80363 Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Cl
BDBM80411 CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2cc(C)ccc12
BDBM80412 FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2nc[nH]c12
BDBM80413 CC(NC(=O)C(=C\c1c(C)[nH]c2ccccc12)\C#N)c1ccccc1
BDBM80414 COc1ccc(CCCC(=O)NC2CCCCC2C)c(C)c1
BDBM80415 CN(\C=C\C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1 |c:4|
BDBM80416 Cc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
BDBM80417 COc1ccc(cc1)C(=O)NC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C
BDBM80419 O=C(COc1ccccc1\C=C1\NC(=O)NC1=O)Nc1ccccc1
BDBM80420 Cc1c(NC(=O)c2nnc[nH]2)cccc1-c1nc2ccccc2s1
BDBM80421 CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1
BDBM80447 CSC1=NCCN1CCOc1ccccc1 |t:2|
BDBM80448 COc1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCCC23)cc1OC
BDBM80488 CC(=O)OCCCCCCCCCCC[N+]1(C)CCCCC1
BDBM80489 CC(=O)OCCCn1c(C)[n+](C)c2cc(Cl)c(Cl)cc12
BDBM80490 [H]C12CCCC([H])(C1O)C(CC2)[N+]1(C)CCCCC1 |TLB:12:9:7:4.2.3|
BDBM80491 O=C(CSc1ccccn1)Nc1cccc2ccccc12
BDBM80533 Cc1cc(nc2c(Br)c(nn12)C(O)=O)-c1ccccc1
BDBM80534 [O-][N+](=O)c1ccccc1[CH+][N-]NC1=[NH+]CC[N-]1 |t:13|
BDBM80105 CC(C)Cn1c(n[nH]c1=S)-c1ccc(F)cc1
BDBM80106 COc1cccc(c1)C(=O)NCc1n[nH]c(=S)n1-c1cccc(C)c1
BDBM80107 CCOC(=O)c1cc(C)[nH]c(=S)c1C#N
BDBM80153 Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccco1 |w:7.8|
BDBM80154 [O-][N+](=O)c1cccc([CH+][N-]n2c(COc3ccccc3)n[nH]c2=S)c1
BDBM80155 CCCCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
BDBM80196 Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1ccncc1 |w:7.8|
BDBM80197 COc1ccccc1C=CC=Nn1c(n[nH]c1=S)-c1ccncc1 |w:11.12,8.8|
BDBM80198 CC(=C)Cn1c(n[nH]c1=S)-c1cccc(c1)[N+]([O-])=O
BDBM80242 CC(C)CSc1nnc(S)s1
BDBM80243 CCN(CC)S(=O)(=O)c1cccc(c1)-c1n[nH]c(=S)n1CC=C
BDBM80244 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
BDBM80285 Brc1cnc2[nH]c(=S)[nH]c2c1
BDBM80286 [O-][N+](=O)c1ccc(Cl)c([CH+][N-]n2c(n[nH]c2=S)-c2ccncc2)c1
BDBM80287 O=S(=O)(N1CCOCC1)c1cccc(c1)-c1n[nH]c(=S)n1Cc1ccccc1
BDBM80288 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1
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|
BDBM80364 CCSCCNC(=O)c1cc(ccc1Cl)-n1cnnc1
BDBM80365 COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1
BDBM80366 CCc1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)no1
BDBM80410 Cc1cc(C(=O)NCc2ccc(o2)C(O)=O)c(C)o1
BDBM80449 C[C@@H]1CC2(C[C@H]1C)CCCC[N+]2(C)C
BDBM80450 OC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
BDBM80492 CCn1ncc(c1C)-c1ccnc2cc(nn12)C(O)=O
BDBM80493 NC(=O)C[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1
BDBM80536 C[n+]1ccc(cc1)C(=O)NCc1ccccc1
BDBM80537 C[n+]1ccc(cc1)C(=O)Nc1ccccc1Cl
BDBM79216 OC(=O)C(F)(F)F.[H][C@@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(cc12)N=C(N)N)ccc3O |wU:24.27,23.22,14.13,8.6,TLB:17:16:24:11.13.12,(9.51,1.33,;8.18,2.1,;8.18,3.64,;6.85,1.33,;5.51,.56,;6.07,2.67,;7.62,,;5.31,11.99,;5.7,13.24,;4.17,13.21,;3.55,14.61,;4.93,15.43,;4.93,16.97,;6.27,17.74,;7.6,16.97,;8.25,18.11,;6.95,16.96,;7.27,18.47,;6.13,19.5,;5.65,20.96,;4.62,19.82,;5.82,16.46,;5.95,15.23,;6.27,14.66,;7.6,15.43,;9.12,15.7,;8.66,14.36,;8.34,12.88,;6.92,12.34,;7,10.84,;8.45,10.44,;9.13,9.03,;10.69,8.92,;11.56,10.23,;10.84,11.63,;9.28,11.7,;13.1,10.15,;13.79,8.77,;15.33,8.69,;12.95,7.48,;3.55,17.8,;2.16,17.01,;2.16,15.4,;.83,14.63,)|
BDBM79402 Cc1ccc2N(C3CC[N+](C)(CC(=O)c4ccc(Cl)cc4Cl)CC3c2c1)C(=O)c1ccc(F)cc1
BDBM79282 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,21|
BDBM79283 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccc(Br)cc1 |c:4,26|
BDBM87100 Clc1cnc2nc(SCc3nnc(o3)-c3cccs3)[nH]c2c1
BDBM87067 CCOc1ccccc1Nc1nc(Cl)nc(Nc2ccccc2OCC)n1
BDBM87068 Cc1ccc(Cl)c2[C@@H]3C=CC[C@@H]3[C@@H](Nc12)c1ccccc1Br |c:8|
BDBM87069 CCOc1nc(Nc2ccccc2)nc(Nc2ccc(cc2)-c2nc3ccccc3o2)n1
BDBM87070 Cc1cc(Cl)cc2C3C=CCC3[C@H](Nc12)c1ccncc1 |c:8|
BDBM87113 Cc1nc2sc3CCCCc3c2c2nncn12
BDBM87114 CCCCSc1nnc(-c2cc3c(nn(C)c3s2)C(F)(F)F)n1C
BDBM87102 COc1ccc(cc1)-c1nnc(SCc2coc(n2)-c2cccs2)[nH]1
BDBM87103 COc1ccc(cc1)-c1nnc(SCC(=O)c2cccc(Br)c2)[nH]1
BDBM87104 FC(F)(F)c1cccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c1
BDBM87105 Cc1cc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C)n1-c1cc(F)ccc1F |(16.31,-1.1,;14.91,-.47,;13.57,-1.24,;12.43,-.21,;10.92,-.52,;9.9,.62,;10.45,-1.99,;8.94,-2.3,;8.46,-3.77,;9.36,-5.01,;8.46,-6.25,;7,-5.78,;5.54,-6.25,;4.63,-5.01,;5.54,-3.76,;5.06,-2.3,;6.09,-1.15,;5.62,.31,;4.11,.63,;3.08,-.51,;3.56,-1.98,;7,-4.24,;13.06,1.2,;12.29,2.54,;14.59,1.04,;15.62,2.18,;15.15,3.65,;16.18,4.79,;15.71,6.25,;17.69,4.46,;18.16,3,;17.13,1.86,;17.6,.39,)|
BDBM87106 COc1ccc2c(Cl)c(sc2c1)-c1nnc2CCCCCn12
BDBM87107 Cc1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1
BDBM87108 Clc1ccc(cc1)-c1csc2nnc(SCC(=O)N3CCOCC3)n12
BDBM87109 COc1ccc(cc1)-c1nnc(SCc2nc3ccsc3c(=O)[nH]2)[nH]1
BDBM87110 Fc1ccccc1NC(=O)CSc1nnc2scc(-c3ccccc3)n12
BDBM87111 COc1ccc(cc1)-c1nnc(SC(C)C(=O)Nc2nc(cs2)-c2ccc(F)c(F)c2)[nH]1
BDBM87112 COc1ccc(cc1)-c1nnc(SCC(=O)N(C)Cc2cccs2)[nH]1
BDBM87115 Cn1nc(c2cc(sc12)-c1nnc(SCC#C)n1C)C(F)(F)F
BDBM87116 Cn1nc(c2cc(sc12)-c1nnc(SCC=C)n1C)C(F)(F)F
BDBM87117 CCCn1c2nnc(SCC(=O)NCc3ccccc3)n2c2ccccc2c1=O
BDBM87118 CCCn1c2nn(Cc3c(F)cccc3Cl)c(=O)n2c2cc(ccc2c1=O)C(=O)NC(C)C
BDBM87071 Cc1c(CNCc2cccc(Br)c2)c(C(O)=O)c(C)n1Cc1ccc(F)cc1
BDBM87072 Cc1nc(Cc2nnc(SCC(=O)c3cc(C)n(Cc4ccccc4)c3C)o2)cs1
BDBM87073 Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1Cc1ccccc1
BDBM87074 Cc1cc(C(=O)N2CCCC(C2)NS(C)(=O)=O)c(C)n1Cc1ccccc1
BDBM87075 CCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12
BDBM87076 Clc1ccccc1-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
BDBM87077 CCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CCCCC4)C3=O)ccc12
BDBM87078 CCOC(=O)CC(c1ccc(N)cc1)n1c(C)ccc1C
BDBM87079 Fc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(n2)N2CCOCC2)cc1
BDBM87080 CCc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(n2)N2CCOCC2)cc1
BDBM87081 CCc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)N2CCCC2)cc1
BDBM87082 Cn1c(SCC(N)=O)nnc1-c1sc2cc(Cl)ccc2c1Cl
BDBM87083 COc1ccc2c(Cl)c(sc2c1)-c1nnc(SCC(=O)c2ccc(F)cc2)n1C
BDBM87084 Cn1c(SCC(=O)c2ccccc2)nnc1-c1sc2ccccc2c1Cl
BDBM87095 C1CCc2c(C1)sc1ncn3c(nnc3c21)C1COc2ccccc2O1
BDBM87096 C1CCc2c(C1)sc1nc(-c3cccnc3)n3cnnc3c21
BDBM87097 CCn1c2nnc(COc3ccc4c(cc(=O)oc4c3)C(F)(F)F)n2c2ccccc2c1=O
BDBM87098 CCCCn1c2nnc(SCCS(=O)(=O)c3ccccc3)n2c2ccccc2c1=O
BDBM87086 Nc1nc2sc3CCCCc3c2c2nnc(SCc3ccc(Cl)cc3)n12
BDBM87085 CCCc1nnc2c3c4CCCCc4sc3ncn12
BDBM87087 COCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
BDBM87088 Cc1ccc(CC(=O)Nc2nnc(s2)-c2ccncc2)cc1
BDBM87089 CCC(C(=O)Nc1nnc(SCCOC)s1)c1ccccc1
BDBM87090 Brc1cccc(NC(=O)CSc2nc3ncccc3[nH]2)c1
BDBM87093 CC(C)Cn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccc(Cl)cc2c1=O
BDBM87091 C(Sc1nc2ncccc2[nH]1)c1cn2ccccc2n1
BDBM87092 Fc1ccc(OCCSc2nc3ncccc3[nH]2)cc1
BDBM87094 CCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1
BDBM87099 Cc1nnc(NC(=O)C2(CCC2)c2ccc(F)cc2)s1
BDBM87101 COc1ccc2c(Cl)c(sc2c1)-c1nnc2CCCn12
BDBM91526 CN(Cc1ccccc1)C(=O)c1cc2ncc(Br)cn2n1
BDBM91527 CN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl
BDBM91528 Cc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1
BDBM91529 CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12
BDBM91530 Cc1ccc(cc1)-c1csc2nnc(SCCOc3ccccc3)n12
BDBM91531 Cc1ccc(cc1)-c1csc2nnc(SCC(N)=O)n12
BDBM91532 CCCn1c2nnc(SC)n2c2ccccc2c1=O
BDBM91533 CCc1nc2sc3CCCCc3c2c2nnc(SC)n12
BDBM91534 OC(=O)c1cc2nccc(-c3cccs3)n2n1
BDBM91535 OC(=O)c1cc2ncccn2n1
BDBM91536 Brc1cnc2cc(nn2c1)C(=O)NCc1ccccc1
BDBM91537 Cc1c(cnn1C)-c1ccnc2cc(nn12)C(O)=O
BDBM91538 CCc1nc2sc3CC(C)CCc3c2c2nnc(SC)n12
BDBM91539 CCc1nc2sc3CC(C)CCc3c2c2n[nH]c(=S)n12
BDBM80520 Cc1ccn(C)c(=N)c1
BDBM50041802 Oc1cccc2Cc3cccc(O)c3C(=O)c12
BDBM50061567 C[N+]1(C)CCN(CC1)c1ccccc1
BDBM50209212 COc1cc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC
BDBM50260481 Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
BDBM50118474 Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
BDBM50118475 CC(=O)\C=C/C(=O)c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1