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1316 SMILES Strings for Kallikrein 5

Compound NameSMILES String
BDBM1885 Brc1ccc(NC(=S)NCCc2ccccc2)nc1
BDBM15649 COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
BDBM29613 Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
BDBM31029 CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
BDBM30813 Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C |(1.29,6.71,;2.76,6.24,;4,7.14,;4,8.68,;5.33,9.45,;5.33,10.99,;4,11.76,;2.67,10.99,;1.33,11.76,;,12.53,;2.67,9.45,;1.33,8.68,;6.67,11.76,;8,10.99,;6.67,13.3,;5.33,14.07,;5.33,15.61,;6.67,16.38,;8,15.61,;8,14.07,;9.34,13.3,;5.25,6.24,;6.71,6.71,;4.77,4.77,;5.68,3.53,;5.05,2.12,;5.96,.87,;7.49,1.03,;8.11,2.44,;7.21,3.69,;3.23,4.77,;2.33,3.53,)|
BDBM31039 CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
BDBM32935 CCSc1nnc(NC(=O)[C@H](C)N2C(=O)C3CC=CCC3C2=O)s1 |c:17|
BDBM33028 Cc1n[nH]c(C)c1CCC(=O)NN=Cc1c[nH]c2ccccc12 |w:12.12|
BDBM32795 Cc1ccc(cc1C)C(=O)n1cnnc1N
BDBM32796 CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
BDBM32709 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
BDBM32755 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
BDBM32756 Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
BDBM32761 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
BDBM32805 Clc1cncc(OC(=O)c2ccco2)c1
BDBM32806 COc1ccc(cc1OC)C(=O)n1nnc2ccccc12
BDBM32989 CC(Cc1ccccc1)=NNC(=O)CNC(=O)C=Cc1ccccc1 |w:9.10,18.19|
BDBM33036 CCOC(=O)Cc1csc(NC(=O)CC(C)(C)CC(O)=O)n1
BDBM32713 Cc1ccc(cc1)C(=O)n1cnnc1N
BDBM32815 COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
BDBM32899 CC(=C)CNC(=S)Nc1cccc(N)n1
BDBM32952 COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(C)=O
BDBM32954 Cc1cccc(OCC(=O)NN=Cc2ccccc2C(O)=O)c1 |w:11.10|
BDBM32993 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccccc1Cl |w:9.10|
BDBM32955 OC(=O)c1ccccc1C=NNC(=O)c1ccccc1Br |w:10.11|
BDBM33000 [O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1 |w:10.11|
BDBM33001 O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1
BDBM32765 O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
BDBM32820 CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12
BDBM32961 CC(=C)CNC(=S)NN=C(C)c1cccc(NC(C)=O)c1 |w:8.7|
BDBM32962 Cc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccc(C)cc2)no1
BDBM32965 Cn1nc(ccc1=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1
BDBM32969 CCOc1ccc(cc1)N=C(N)Nc1nc(CSc2nnc(C)s2)cc(=O)[nH]1 |w:9.9|
BDBM32728 COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
BDBM33099 CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(OC(C)=O)cc1 |t:7|
BDBM32831 CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1
BDBM32832 CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccccc1
BDBM32833 COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1
BDBM32834 COc1ccc(cc1)C(=O)n1c(SC)nc2cc3OCCOc3cc12
BDBM32866 Cc1ccc([CH+][N-]NC(=S)NCC=C)cc1[N+]([O-])=O
BDBM32867 CCc1cccc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1
BDBM32869 CCCOc1ccc(cc1)C(=O)CCC(=O)OCC(=O)Nc1ccc(OCC)cc1
BDBM32910 COc1cc2OCOc2cc1\C=C\[N+]([O-])=O
BDBM33010 Oc1cc(Sc2ccc(Cl)cc2)c(O)n1-c1ccc2OCCOc2c1
BDBM33011 COc1ccc(C=NNC(=O)CCn2cnc3ccccc23)cc1 |w:7.7|
BDBM33012 CC(C=NNC(=O)c1cc(n[nH]1)-c1cccn1C)=Cc1ccccc1 |w:3.3,18.20|
BDBM33013 O=C(NCc1ccc2NC(=O)c3cccc1c23)c1cccs1
BDBM32776 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
BDBM32840 CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)n1
BDBM32871 O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12
BDBM32916 Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccccc3F)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1 |w:10.10|
BDBM32876 CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
BDBM33015 CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM33017 Clc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)nc1
BDBM33019 CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1
BDBM33021 O=C(Cn1c(nc2ccccc12)-c1ccccn1)NN=Cc1cccnc1 |w:19.21|
BDBM32783 Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1
BDBM32784 Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
BDBM32785 O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
BDBM32922 CCN1CCN(CC(=O)Nc2cc(C)on2)CC1
BDBM32881 COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1
BDBM32882 Cc1nc2ccccc2c(=O)n1NC(=O)c1cc(Br)ccc1Cl
BDBM32924 Clc1ccc(cc1)-c1csc(n1)N1CCOCC1
BDBM32927 OCCN1C(=O)c2ccc(cc2C1=O)-c1ccc2C(=O)N(CCO)C(=O)c2c1
BDBM32665 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
BDBM32669 COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
BDBM32701 O=C(c1ccccc1)n1nnc2ccccc12
BDBM32790 Clc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
BDBM32791 O=C(c1csc2ccccc12)n1cccn1
BDBM32793 O=C(CN1C(=O)CSc2ccccc12)N1CCc2ccccc12
BDBM32930 CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)c(cc2[nH]1)[N+]([O-])=O
BDBM33879 Cc1nc2cc(NC(=O)N(CC=C)c3ccccc3)ccc2n1C
BDBM33882 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
BDBM33926 CCc1nc2sccc2c(=O)[nH]1
BDBM33891 [#6]-[#8]-[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM34206 Nc1sc2CCCc2c1C(=O)NC1CCS(=O)(=O)C1
BDBM33895 Clc1ccccc1C(=O)NC(=S)Nn1cnnc1
BDBM33872 CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
BDBM33906 COc1ccc(cc1)C(=O)n1ncc(C#N)c1N
BDBM33951 COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 |w:7.7|
BDBM33626 CCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccccc1F
BDBM32787 CCSc1ccccc1C(=O)n1nnc2ccccc12
BDBM33570 CCOC(=O)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1cc(C)ccc1OC
BDBM33571 CN(C(=O)C1CCCN1S(=O)(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O
BDBM33572 Cc1cc(Nc2ccccc2)n(n1)-c1nc(C)cc(C)n1
BDBM33591 COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1
BDBM33738 Nc1nc2ccccc2n1C(=O)c1ccco1
BDBM33593 O=C(Nc1cccc2ccccc12)C1CCC(=O)N1
BDBM33629 Cc1ccc(cc1)S(=O)(=O)N=Cc1ccco1 |w:10.10|
BDBM33631 CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cnc2cc(C)c(C)cc12
BDBM33635 COc1ccc(OC)c(\C=C\c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)c1
BDBM33636 CCOc1cc(c(OCC)cc1-n1cnnn1)S(=O)(=O)NCc1ccc(OC)cc1
BDBM33637 COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1
BDBM33641 NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2NC1=O
BDBM33778 CCN(CC)Cc1ccccc1Sc1ccccc1
BDBM33481 COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1
BDBM33519 CCc1nnc(NC(=O)CCC(=O)N2CCCC2)s1
BDBM33705 Cc1ccc(cc1)C(=O)CSc1nc(C)cc(C)c1C(N)=O
BDBM33706 Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
BDBM33708 O=C(NNC(=O)c1cccs1)C(c1ccccc1)c1ccccc1
BDBM33436 COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1
BDBM33437 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
BDBM33483 CC(C)Nc1nc(NC(C)C)nc(n1)C#N
BDBM33484 COC(=O)c1ccccc1NC(=O)C1CN(C(=O)C1)c1ccc(F)cc1
BDBM33523 COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc3OCCOc3c2)n1Cc1ccco1
BDBM33711 COc1ccccc1NC(=O)c1sc2ncn(Cc3cccc(C)c3)c(=O)c2c1C
BDBM33712 CCC(=O)Nc1ccc(cc1)C(=O)CSc1nc2ccccc2cc1CC
BDBM33716 CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)[nH]1
BDBM33819 Cc1cccc(NC(=S)NC23CN4CN(CN(C4)C2)C3)c1 |TLB:19:10:17:14.13.15,THB:9:10:17:14.13.15,9:10:12.13.17:15,11:12:10.19.18:15,11:10:12.13.17:15|
BDBM33601 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1
BDBM33749 CCCCc1c(C)nc2ccc(Br)cc2c1SCCC#N
BDBM32852 C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12
BDBM33488 O[N+]1=C(c2cccs2)C(=C)N([O-])C2=C1CCC2 |c:1,13|
BDBM33489 Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1
BDBM33490 CCOc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
BDBM33492 Cc1ccc(cc1)-c1noc(CN2CCC(CC2)C(N)=O)n1
BDBM33602 Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:24|
BDBM33606 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCc1ccc(C)cc1
BDBM33613 Fc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCCCC1)[nH]c2=O
BDBM33674 CN(C)CCCNc1c2CCCc2nc2c(c(C)nn12)-c1ccccc1
BDBM33675 Cc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12
BDBM33679 NC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1
BDBM33454 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
BDBM33529 COc1ccc(cc1OC)-c1nn2cnnc2s1
BDBM33686 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1
BDBM33448 Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1
BDBM33449 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
BDBM33495 COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc12
BDBM33569 Cc1cc2ncn(c2cc1C)S(=O)(=O)N1CCOCC1
BDBM33620 O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1
BDBM33693 CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccccc1
BDBM33756 COc1cccc(c1)-n1c(SCC(=O)Nc2ccc3CCCc3c2)nc2ccccc2c1=O
BDBM32934 O=C(Nc1nc2cc3OCOc3cc2s1)c1ccco1
BDBM32937 Fc1ccc(Nc2ccc3ccccc3n2)c(F)c1
BDBM33453 COc1ccc(cc1)C(=O)n1cnnc1N
BDBM33646 COc1ccc([CH+][N-]NS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+]([O-])=O
BDBM33655 FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1ccco1)C(F)(F)F |c:5|
BDBM33659 CCN1C(=S)N(\C(=C/N(C(C)=O)c2ccccc2)C1=O)c1ccccc1
BDBM33663 OCCCCC\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
BDBM33665 CCOC(=O)c1ccccc1Oc1c(F)c(F)nc(NCCO)c1F
BDBM33536 Nc1nc(CN2CCCCC2)cs1
BDBM33758 CC(O)C(=O)NN=Cc1cccc2ccccc12 |w:6.5|
BDBM32671 CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
BDBM32675 COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
BDBM32676 Cc1cc(C)cc(c1)C(=O)n1cnnc1N
BDBM33499 COc1ccccc1NC(=O)C1C2CCCCC12
BDBM33501 Cc1cc(C)nc(Nc2ccccc2Br)n1
BDBM33688 CCC(C)C1NC(=S)N(CC=C)C1=O
BDBM33697 CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
BDBM33699 CC1(C)CN(N(C(=O)c2ccc(F)cc2)C1=O)c1ccccc1
BDBM33700 Cn1nc(c2cc(COc3ccc(F)cc3)sc12)C(F)(F)F
BDBM32973 CC(C)C(=O)C(=Cc1c(C)nn(C)c1C)n1cncn1 |w:6.6|
BDBM32974 CC1=NN(C(C#N)c2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM32998 [H]C12CCC([H])(C1)C(C)(\N=C1/OC(CCl)CS1)C2(C)C |TLB:9:7:6:2.3,8:7:6:2.3|
BDBM33505 COc1ccc(-c2n[nH]cc2-c2ccc3OCCOc3c2)c(O)c1
BDBM33577 Oc1cccc(c1)-c1nc2ccccc2s1
BDBM33615 CSC1=N\C(=C/c2ccc(C)o2)C(=O)S1 |t:2|
BDBM33616 Cc1c(sc(N)c1C#N)C(=O)N1CCC(CC1)C(N)=O
BDBM33728 COC(=O)Cc1ccc(NC(=S)N2CCN(CC2)c2ccc(F)cc2)cc1
BDBM33004 Cc1cc2c(nc(oc2=O)-c2ccccc2Br)s1
BDBM33546 CCOc1ccc(cc1OCC)C(=O)NCC(=O)OC(C)C(=O)NCc1ccco1
BDBM33582 Fc1ccc(NC(=O)CSc2nnc(Cn3nnc(n3)-c3ccccc3)n2-c2ccccc2)cc1
BDBM32697 CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1
BDBM33031 COc1ccc(Cl)cc1NC(=O)Nc1cn(C)nc1C
BDBM33035 CN1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1
BDBM33547 O=C(CSC1CCCCC1)Nc1nccs1
BDBM33552 COc1cccc(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C
BDBM33554 CCOC(=O)CSc1nnc(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)n1C
BDBM33557 CC(C)OCCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
BDBM33558 CS(=O)(=O)Nc1cccc(c1)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc12
BDBM33695 COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[nH]1
BDBM33734 [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2[nH]c(cc2n1)-c1ccc(Cl)cc1
BDBM33737 Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)c1
BDBM33768 CC(C)(C)NC(=O)c1cc(ccc1N1CCCCC1)[N+]([O-])=O
BDBM33770 CCN(CC)S(=O)(=O)c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
BDBM33772 CCOc1cc(\C=C(\C#N)C(=O)NCC=C)cc(Cl)c1O
BDBM33513 Cc1nn(Cc2ccc(cc2)C(=O)Nc2nccs2)c(C)c1Cl
BDBM33562 COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12
BDBM33564 Fc1ccc(cc1)C(CC(=O)N1CCOCC1)c1ccco1
BDBM33568 CCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1
BDBM33586 O=C(N1CCN(CC1)C(=O)c1ccco1)N1c2ccccc2Sc2ccccc12
BDBM33621 ON1C2=CC=CC(=N)C2=NC11CCCCC1 |c:4,9,t:2|
BDBM33622 CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
BDBM33623 COCCNC(=O)Cn1nc(cc1C)C(F)(F)F
BDBM33805 CCC(=O)Nc1cccc(c1)C(=O)OCc1cccc(c1)[N+]([O-])=O
BDBM33846 CC(C)CCN1CCN(CC1CCO)C1CCN(CC1)c1ccc(F)cc1C
BDBM33851 CCN(CC)CCCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=S)Nc1ccccc1OC
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|
BDBM34974 Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O |w:6.6|
BDBM34589 CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCOCC1
BDBM35509 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
BDBM35491 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
BDBM37566 CCn1ncc(C2=NOC(C2)C(=O)NCc2ccccc2)c1C |t:6|
BDBM37564 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(OC)cc1)c2=O
BDBM39008 O=C(Nc1ccc(cc1)N1CCOCC1)c1cnsn1
BDBM38612 COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
BDBM38667 OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
BDBM38797 COc1cccc2c(C)c([nH]c12)C(O)=O
BDBM38601 Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)|
BDBM40531 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
BDBM38308 CCOC(=O)COc1ccc2nsnc2c1Cl
BDBM38392 COc1ccc(cc1OC)-c1coc2cc(O)ccc2c1=O
BDBM37583 COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O
BDBM37587 Fc1cc(F)c(NC(=O)c2cc(on2)C2CC2)c(Br)c1
BDBM37147 CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N
BDBM37148 CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1
BDBM37248 CC(C)(C)SCCNS(=O)(=O)c1ccccc1
BDBM37032 Cc1oc(nc1Cn1cccc1C1=NC(CO1)c1ccccc1)-c1ccccc1 |t:14|
BDBM41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
BDBM41345 COc1ccc(cc1)S(=O)(=O)Nc1ccc(CC#N)cc1
BDBM40980 OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1Cl
BDBM41388 COc1ccc(cc1)C(=O)n1cnc(N)n1
BDBM41389 O=C(N1CCOCC1)c1noc-2c1CCc1ccccc-21
BDBM41422 COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(F)cc1
BDBM40996 O=NCc1c(Nc2ccccc2)nc2ccccn2c1=O
BDBM41028 CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM39885 O=C(Cn1cc2CCCCc2n1)NCc1ccccn1
BDBM39568 CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1 |w:4.4|
BDBM40904 COc1ccc(cc1Br)C(=O)n1ccc(C)n1
BDBM40854 CCC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
BDBM40860 Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1
BDBM40058 CCOC(=O)C1CCCN(C1)C(=O)c1cc2ncc(Br)cn2n1
BDBM40464 CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
BDBM39454 Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1
BDBM39458 Clc1ccc(OCc2nnc(SCn3nnc4ccccc4c3=O)n2Cc2ccco2)cc1
BDBM39459 CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1
BDBM43590 CCn1c(cc2sc(Cl)cc12)C(=O)Nc1ccsc1C(=O)OC
BDBM43920 COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc12
BDBM43349 Cc1noc(C)c1COc1ccc(cc1)C(=O)NCc1ccccn1
BDBM43345 CCN(CC)C(=O)CN1CCN(CC1)c1ncccn1
BDBM43514 CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
BDBM43521 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
BDBM43030 Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1 |w:8.9|
BDBM43040 Cc1c(sc(NC(=O)COc2ccccc2C)c1C#N)C(=O)Nc1cccc(C)c1C
BDBM43185 CCOc1ccc(NC2=NN=C(CS2)c2cc(C)n(CC3CCCO3)c2C)cc1 |c:10,t:8|
BDBM42947 Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12
BDBM43159 Cc1occc1C(=O)NN=Cc1ccc(Br)s1 |w:9.9|
BDBM41783 CC1Cn2c(S1)nnc2-c1cc2ccccc2cc1O
BDBM42854 CCn1c(nc2ccccc12)C(C)NC(C)=O
BDBM42622 C1Cc2[nH]nc(c2C1)-c1ccccc1
BDBM42780 COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
BDBM42502 COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1
BDBM42674 COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
BDBM41641 Cc1cccc2cc(C(N3CCc4ccccc4C3)c3nnnn3CC3CCCO3)c(=O)[nH]c12
BDBM41842 Cc1ccccc1Oc1ncnc2oc(cc12)-c1ccccc1
BDBM41939 Clc1ccc(CON=CNc2ncnc3sccc23)cc1 |w:7.6|
BDBM42310 CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
BDBM42176 O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
BDBM44996 O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1
BDBM44722 CCC(=O)N1CCN=C1SCc1ccccc1 |c:7|
BDBM44591 CCOc1ccc(cc1)-c1nc(C#N)c(NCC(C)C)o1
BDBM44596 Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
BDBM46306 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)NCCCN1CCN(CCCNC(=O)c2cc(ccc2Cl)[N+]([O-])=O)CC1
BDBM45517 O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1nccs1
BDBM45576 CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N
BDBM45692 COc1ccc(OC)c(CN=Nc2cc(C)nc(n2)N2CCOCC2)c1 |w:11.11|
BDBM45733 O=C(NCc1ccco1)c1ccc2OCCc2c1
BDBM45734 Cc1ccc(cc1)C(=O)NCCN1CCNC1=O
BDBM45736 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N(Cc1cccs1)Cc1ccccc1
BDBM45544 O=C(C[n+]1cc(-c2ccccc2)n2CCCc12)Nc1nc(cs1)-c1ccccc1
BDBM45545 Cc1ccc(CSc2ncnc3n(ncc23)-c2ccc(C)cc2)cc1
BDBM45549 [O-][N+](=O)c1cccc(NC(=O)COC(=O)\C=C\c2ccco2)c1
BDBM45694 COc1ccc(cc1)C1CC(=O)C(C(C2C(=O)CC(CC2=O)c2ccc(OC)cc2)c2ccc(O)cc2)C(=O)C1 |(17.75,9.24,;17.75,7.7,;16.42,6.93,;16.42,5.39,;15.08,4.62,;13.75,5.39,;13.75,6.93,;15.08,7.7,;12.42,4.62,;11.08,5.39,;9.75,4.62,;8.41,5.39,;9.75,3.08,;8.41,2.31,;8.41,.77,;9.75,,;11.08,-.77,;9.75,-1.54,;8.41,-2.31,;7.08,-1.54,;7.08,,;5.75,.77,;8.41,-3.85,;7.08,-4.62,;7.08,-6.16,;8.41,-6.93,;8.41,-8.47,;7.08,-9.24,;9.75,-6.16,;9.75,-4.62,;7.08,3.08,;7.08,4.62,;5.75,5.39,;4.41,4.62,;3.08,5.39,;4.41,3.08,;5.75,2.31,;11.08,2.31,;12.42,1.54,;12.42,3.08,)|
BDBM45695 Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1
BDBM45387 Cc1ccc(NC(=O)CSCC(N)=O)cc1C
BDBM45358 COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
BDBM45437 COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
BDBM45551 O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1 |w:15.15|
BDBM45552 COc1ccccc1CC(=O)NN1C(=O)c2ccccc2C1=O
BDBM45660 Cc1nc(SCc2ccccc2)c2ccsc2n1
BDBM45666 [H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)N1CCOCC1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
BDBM45702 CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc(OC)c(OC)c1)C(C)=O |c:5|
BDBM45362 COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC
BDBM45395 Cc1cc(C)n(n1)C(=O)CNc1cccc(Cl)c1C
BDBM45396 CNC(=O)c1ccc(cc1)N(Cc1ccccc1)S(C)(=O)=O
BDBM45320 COc1ccc(cc1OC)C1C(C(C)=O)C(=O)C(=O)N1c1nccs1
BDBM45400 O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2OCOc2c1
BDBM45590 CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O
BDBM45668 Cc1ccc2nc(NCc3ccccc3)c(\C=N\Cc3cccnc3)c(=O)n2c1
BDBM45289 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM45593 COc1cccc(NC(=O)Nc2cccnc2)c1
BDBM45633 CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN1CCOCC1
BDBM45709 CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
BDBM45327 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1ccco1
BDBM45406 COc1ccc(cc1OC)C(=O)n1nc(C)cc1C
BDBM45560 C(Nc1ncnc2scc(-c3ccccc3)c12)C1COc2ccccc2O1
BDBM45712 CCOC(=O)C(=C\N=c1/ccc(C)cn1C)\C#N
BDBM45328 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN(C)C)C(=O)C2=O)c2cccc(OC)c2OC)c1C
BDBM45448 CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1
BDBM45602 O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o1
BDBM45410 CCOCCn1c(nc2ccccc12)-c1ccc(OC)cc1
BDBM45412 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc1nc(C)cs1
BDBM45413 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C
BDBM45493 O=C1OC(Nc2ncccn2)c2ccccc12
BDBM45563 Nc1ccnn1Cc1cccs1
BDBM45567 CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
BDBM45718 Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1 |w:12.12|
BDBM45719 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl |w:9.10|
BDBM45369 CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O
BDBM45498 CC(C)(C)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O
BDBM45677 FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1
BDBM45679 Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F
BDBM45681 CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
BDBM45682 CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O
BDBM45721 COc1ccc(cc1)-n1c(O)cc(Nc2cccc(c2)[N+]([O-])=O)c1O
BDBM45724 OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|
BDBM45417 CC1CN(CCN1c1cccc(C)c1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
BDBM45419 COc1ccc(cc1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2ncnn12 |c:24|
BDBM45504 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)CCN1C(=O)c2ccccc2C1=O
BDBM45644 CC1CCOC2(O1)C(=O)Nc1ccccc21
BDBM45423 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N2CCOCC2)cc1
BDBM45339 COC(=O)Cc1c(C)nc2nc[nH]n2c1=O
BDBM45502 COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
BDBM45616 COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1
BDBM45686 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O
BDBM45728 O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
BDBM45578 COc1cc2nc(COc3ccccc3[N+]([O-])=O)oc(=O)c2cc1OC
BDBM45690 Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O
BDBM44422 CC1(C)Cc2n[nH]c(Cc3ccccc3)c2C(=O)C1
BDBM47958 COc1cc(\C=C\[N+]([O-])=O)ccc1OCc1cccc(c1)C(O)=O
BDBM48353 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)CC#N |t:8|
BDBM47930 CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3CC(C)(C)OCc3sc2n1
BDBM48427 CC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1
BDBM48914 Cn1c(nc2ccccc12)C(=C\C1CCC=CC1)\C#N |c:17|
BDBM48932 Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1
BDBM48150 Clc1ccccc1OCc1nc(no1)-c1ccccn1
BDBM47381 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2CN(Cc3ccccc3)CCc12
BDBM47564 COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1
BDBM47629 COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
BDBM47752 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1cc(ccc1Cl)[N+]([O-])=O
BDBM46449 CC(C)Cc1cc(no1)C(=O)NCc1cccs1
BDBM46544 Cn1nc(c(c1NC(=O)CCC(O)=O)-c1ccccc1)C(F)(F)F
BDBM46587 Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
BDBM46348 Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1
BDBM46564 COc1ccc2ccccc2c1C=NNC(=O)c1sc(N)c(C#N)c1C |w:13.15|
BDBM51177 [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
BDBM49905 COc1ccc(cc1F)-c1cn2cccc(C)c2n1
BDBM50621 Oc1n(NC=C2C=CC(=O)C(=O)C2=O)c(O)c2ccccc12 |w:4.3,c:6|
BDBM50751 O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCCC1
BDBM50916 CCc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
BDBM50918 Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1C |(6,-1.13,;5.1,.11,;3.56,.11,;3.08,1.58,;4.33,2.48,;4.33,4.02,;5.57,1.58,;7.04,2.06,;8.18,1.02,;9.65,1.5,;10.12,2.97,;11.66,2.97,;12.14,1.5,;13.6,1.02,;13.92,-.48,;15.39,-.96,;16.53,.07,;16.21,1.58,;14.75,2.06,;10.89,.6,;10.89,-.94,;12.23,-1.71,;12.23,-3.25,;10.89,-4.02,;9.56,-3.25,;9.56,-1.71,;8.22,-.94,)|
BDBM50802 CC(=O)c1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
BDBM49683 CN(C)C(=O)Oc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
BDBM49270 OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1
BDBM49278 Cc1ccc(o1)C(=O)Nc1ccc2CCCc2c1
BDBM49570 [O-][N+](=O)c1cc(Cl)ccc1-c1nc(no1)-c1ccccc1
BDBM49703 CSc1ccc(cc1)C(=O)\C=C\c1ccc(N)cc1
BDBM53649 CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1
BDBM53786 [O-][N+](=O)c1ccc[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O
BDBM52426 Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(ccc1O)[N+]([O-])=O
BDBM51732 [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](\Cl)Cl)cn1
BDBM51813 COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O
BDBM51815 Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12
BDBM51711 [#6]\[#6](-[#6])=[#6](/[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#7]=[#6](-[#6])-c1ccccc1-[#8] |w:16.16|
BDBM51911 COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
BDBM55938 CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C
BDBM56005 O=C1NC(=O)C(=CNCc2ccco2)C(=O)N1Cc1ccco1 |w:6.6|
BDBM56006 Cc1cc(=O)n2[nH]cnc2n1
BDBM56007 C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
BDBM56041 C(NC1=NCCCCC1)c1ccncc1 |t:2|
BDBM56042 CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
BDBM55937 Cc1cccc(C)c1OCC(O)CN
BDBM55971 O=C1CC(c2cccs2)c2cc3OCOc3cc2N1
BDBM56008 CN(C)CCN1C(C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)C(=O)C1=O)c1ccncc1
BDBM56009 CN(C)c1cc(C)nc(NCc2ccccc2)c1C#N
BDBM56010 Cc1cccc(n1)-n1c(CCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
BDBM56011 CC12CCC(CC1=O)(C(=O)N1CCN(CC1)c1ccccc1)C2(C)C |THB:7:6:22:3.2|
BDBM56012 OC(=O)CCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM56013 Cc1cc(C)n(Cc2cc(O)n(c2O)-c2ccc(Cl)c(Cl)c2)n1
BDBM55939 CC(=O)Nc1c([nH]c2ccccc12)C(O)=O
BDBM55940 COc1ccc(CCNC(=O)CSc2nnc(o2)-c2ccc(F)cc2)cc1OC
BDBM55941 CCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O
BDBM55985 O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
BDBM55986 COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1
BDBM55987 CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1
BDBM55988 CCN(C(=O)Cc1cccs1)c1nnc(s1)-c1cccnc1
BDBM55989 COc1ccc(OC)c(CN2CCN(CC2)C(=O)c2cccc3ccccc23)c1
BDBM55990 Cc1cc2cc(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)c(=O)[nH]c2cc1C
BDBM55991 Cn1c2nc(SCCN3CCOCC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O
BDBM55755 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
BDBM55942 Cc1sc2nc(N)sc2c1C
BDBM55943 Fc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)Cn1nnc(n1)-c1cccs1
BDBM55944 CCNc1nc(SC(C)C(=O)OC)nc(n1)N1CCOCC1
BDBM55658 COc1cc(\C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(C)CC2)c(cc1OC)[N+]([O-])=O
BDBM55945 Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1
BDBM55946 CCC(C)(C)n1nnnc1C(N1CCN(CC1)C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O
BDBM55947 CC(C)(C)n1nnnc1C(N(CC1CCCO1)Cc1cccnc1)c1cccs1
BDBM55948 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCc1cccs1
BDBM56014 CC(C)CC(=O)Nc1ccccc1N1CCCC1
BDBM56015 CC(C)C1Cc2c(CO1)c(=S)n(C)c(N)c2C#N
BDBM56016 COCCCNC(=O)c1c(N)n(-c2ccc3OCOc3c2)c2nc3ccccc3nc12
BDBM55980 COc1ccccc1OP(C)(=O)Nc1ccc(C)cc1
BDBM55981 COc1cccc(c1)C(=O)SC1=NCCS1 |t:12|
BDBM56017 CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
BDBM56018 CCC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:3.3|
BDBM56019 C(Sc1nnc(-c2cccnc2)n1Cc1ccco1)\C=C\c1ccccc1
BDBM55949 CC(C)Cc1oc(C)c(C(O)=O)c1CN1CCCC1
BDBM55950 O=C(Cn1nnc(n1)-c1ccncc1)NCCc1ccccc1
BDBM55951 Cn1nnnc1SCC(=O)N1CCc2ccccc2C1
BDBM55952 CC12OC3(C=C1)C(C2C(=O)Nc1ccccc1)C(=O)N(C3C(=O)NC1CCCCC1)c1cccnc1 |c:4|
BDBM55953 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
BDBM55954 COc1ccc(CCNC(=O)Cn2nnc(n2)-c2ccc(cc2)N2CCOCC2)cc1OC
BDBM55955 Cc1ccc(NC(=O)CSc2nnc(COc3ccc(cc3)C#N)n2-c2ccccc2)cc1C
BDBM55956 CN(C)c1ccc(cc1)-c1nnn(CC(=O)Nc2ccccc2N2CCOCC2)n1
BDBM55982 O=C1N(CCN2CCCCC2)C(=O)c2ccccc12
BDBM55983 Cc1ccccc1C(=O)NC1CC(C)(C)NC(C)(C)C1
BDBM55984 OC(=O)c1cccc(c1)N1CCCC1
BDBM55993 Cc1nn(c(C)c1NC(=O)c1cccs1)-c1ccccc1
BDBM55994 CCS(=O)(=O)N1CCCC(C1)c1nc(no1)-c1cccc(OC)c1
BDBM56020 CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1
BDBM56021 CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
BDBM56022 COc1ccc(CSc2nnc(-c3cccnc3)n2CC=C)cc1
BDBM56023 CC1CN(c2nc3n(C)c(=O)n(CC(=O)OCc4ccccc4)c(=O)c3n2C1)c1ccc(C)c(C)c1
BDBM56024 Clc1ccc(OCC(=O)Nc2nc3NC(=O)CC(c4ccccc4)n3n2)c(Cl)c1
BDBM56025 COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2cccc(OC)c2)c(OC)n1
BDBM56026 COc1cccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)c1
BDBM56027 COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C(C)C1)c1cccc(OC)c1
BDBM55661 CC(C)N(C)CCOC(=O)\C=C\c1ccccc1
BDBM55996 CCC(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1cccs1
BDBM55997 CCCCOc1ccc(cc1)-c1nnn(n1)C(C)(C)C(=O)OC
BDBM55998 Cc1cc(C)cc(NC(=O)CSc2nnc(o2)-c2ccccc2C)c1
BDBM55957 COc1ccc(Cn2nnnc2C(N2CCC(CC2)C(N)=O)c2cc(OC)ccc2OC)cc1
BDBM55958 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1cccnc1)C(C)=O
BDBM55959 COCCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1)c1ccc(C)o1
BDBM55960 COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2o1
BDBM55961 CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC
BDBM55962 Fc1cccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)c1
BDBM55963 OC(=O)c1c(NC(=O)c2ccco2)scc1-c1ccccc1
BDBM55964 Cc1ccc(cc1)C(=O)C(NC(=O)c1ccco1)N1CCOCC1
BDBM55965 Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1
BDBM55966 Fc1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CSc1nnc(COc2ccccc2)o1
BDBM55967 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)cc(C)cc2[nH]c1=O
BDBM55969 O=C(CN1CCOCC1)N1CCc2ccccc2C(C1)c1ccccc1
BDBM55970 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
BDBM55992 O=C(NCCc1nc2ccccc2[nH]1)c1ccco1
BDBM56028 CNCc1cc2ccc(C)cc2[nH]c1=O
BDBM56029 COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
BDBM56030 CC(=O)N1CCN(CC1)c1ccc(cc1)N=Cc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O |w:15.16|
BDBM56031 COc1ccc(C2C3C(ON2c2ccccc2)C(=O)N(Cc2ccccc2)C3=O)c(OC)c1OC
BDBM56032 COc1ccc(Oc2cncnc2-c2ccc(OCC(C)=C)cc2O)cc1
BDBM55527 Cc1ccc(NCCCC(=O)NN=Cc2cccc(CC=C)c2O)cc1 |w:12.11|
BDBM55528 Cc1cc2c(C)nc(N=NCc3ccc(cc3)[N+]([O-])=O)nc2o1 |w:8.7|
BDBM55535 CCOc1ccc(NC(=O)Cn2cncc2-c2ccc(cc2)[N+]([O-])=O)cc1
BDBM55540 Cc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12
BDBM55995 O=C(CNCC1CCCO1)N1CCCc2ccccc12
BDBM56034 Oc1ccccc1-c1n[nH]c2C(=O)N(Cc3ccco3)C(c12)c1ccccc1F
BDBM56035 CCc1nc(OCCN(C)C)c2oc3ccccc3c2n1
BDBM55972 CC1CCN(CC1)C(c1nnnn1Cc1ccc2OCOc2c1)c1cc2cccc(C)c2[nH]c1=O
BDBM55973 COC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
BDBM55974 CC(C)(C)c1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)C(=O)Cc2cccs2)cc1
BDBM55975 Cc1oc(cc1C(=O)Nc1ccc2OCCOc2c1)C(C)(C)C
BDBM55976 COc1cc(c(OC)cc1NC(C)=O)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F
BDBM55977 O=C(C1CCCCC1)N1CCC(CC1)c1nc2ccccc2[nH]1
BDBM55978 COc1ccc(cc1OC)C(OC(=O)c1ccco1)C(=O)NC1CCCCC1
BDBM55979 CCOC(=O)C1(CCN(Cc2cccc(c2)C(O)=O)CC1)c1ccccc1
BDBM55999 OC(=O)CCC(=O)Nc1nnc(s1)C(F)(F)F
BDBM56033 COc1cc(CNc2nnc[nH]2)cc(Br)c1OC
BDBM56000 [H]C12CCC([H])(CC(O)(C1)c1ccccc1F)N2CCN1CCOCC1 |TLB:8:7:17:3.2,THB:10:7:17:3.2|
BDBM56001 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2cc(C)c(C)cc2[nH]c1=O
BDBM56002 COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1
BDBM56036 CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
BDBM56037 CN1C(=O)C(O)(c2ccccc12)c1sc(N)nc1-c1ccccc1
BDBM55968 Oc1ccc(cc1)-c1cccc(n1)-c1ccc(O)cc1
BDBM56003 O=C(CCCOC(=O)c1ccccc1)N1CCOCC1
BDBM56004 OC(CN1C2=NCCN2c2ccccc12)c1ccc(Br)cc1 |t:4|
BDBM56038 COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)NCc1ccco1
BDBM56039 CCOc1cc(cc(OCC)c1OCC)C(=O)NC
BDBM56040 Cc1nc(C)c(NC(=O)N2CCc3ccccc23)cc1NC(=O)N1CCc2ccccc12
BDBM55370 Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)cc1
BDBM54094 FC(F)(F)C(CC(=O)c1cccs1)=NNC(=O)c1ccncc1 |w:13.14|
BDBM54275 COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cn1
BDBM54287 OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
BDBM56651 CC1CCN(CC1)C1(O)C(=O)Nc2ccc(Br)cc12
BDBM56652 O=NC(C#N)c1nc2ccccc2s1
BDBM56763 [#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|
BDBM56764 [#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#7]\[#6](=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)-c2ccccc2)cc1
BDBM56765 COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc(OC)c1OC |w:6.6|
BDBM56810 Clc1ccc(cc1)S(=O)(=O)CC(N1CCCCC1)c1ccccc1
BDBM56811 Clc1ccc(NC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
BDBM56653 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
BDBM56654 CCOC(=O)NC(=O)CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O
BDBM56766 CNC(=O)C(=C\c1cc(C)n(c1C)-c1ccc(cc1)N1CCOCC1)\C#N
BDBM56767 Clc1ccc(cc1)C1CSc2n1cnc1ncnc21
BDBM56768 Cc1ccc(C)c(NC(=S)NCCc2c[nH]c3ccccc23)c1
BDBM56812 Cc1cc(no1)-c1nc(cs1)-c1ccc(C)cc1
BDBM56813 CC(C)N(C(C)C)C(=O)c1ccc(cc1)-c1ccccc1F
BDBM56814 Cc1cc(no1)C(N)=NOC(=O)c1ccc(Cl)cc1 |w:8.9|
BDBM56815 CC(CC(O)=O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM56655 C(Sc1ncnc2sccc12)c1ccccc1
BDBM56656 Nc1nc(CSC(=S)N2CCCCC2)nc(Nc2ccccc2)n1
BDBM56657 COc1ccc(cc1OC)C(=O)Nc1cccc(c1)S(C)(=O)=O
BDBM56769 NC(=O)Cc1ccc2c(c1)[nH]c1ccccc21
BDBM56770 CSc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(O)=O)cc1
BDBM56772 CCOC(=O)C1(C)CC(=Nc2cccc(OC)c2)C(=O)N1c1ccccc1 |w:9.9|
BDBM56816 Cc1ncn2cc([nH]c(=O)c12)-c1ccc(Cl)cc1Cl
BDBM56817 Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br
BDBM56818 COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1OC
BDBM56658 Cc1cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)ccc1Cl
BDBM56659 [H]C12CCC3(C)C1(C)CN(NC(=O)c1ccc(Cl)cc1)C3(C2)C#N |TLB:10:9:4:1.21,3:4:1.21:9.8,2:1:4:9.8,THB:8:6:20.21:3.2,5:4:1.21:9.8,7:6:20.21:3.2|
BDBM56734 CCc1ccc(cc1)N(C(C)=O)c1nc(CCl)cs1
BDBM56773 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1
BDBM56774 CCN(CC)C(=N)C(=NNc1ccc(C)cc1)C#N |w:8.8|
BDBM56775 CC(=NNC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1 |w:2.2|
BDBM56819 CNC(=O)NNC(=O)c1nc(c(C)o1)-c1ccccc1
BDBM56820 NC(=NOC(=O)c1cccc(Cn2cc(ccc2=O)C(F)(F)F)c1)c1ccc(Cl)cc1 |w:2.2|
BDBM56821 CCOC(=O)CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(sc1C(F)(F)F)C(=O)OC
BDBM56822 Cc1cc(=O)oc2cc(NC(=O)CC3(CC(O)=O)CCCC3)ccc12
BDBM56660 CC(c1ccc(F)cc1)n1c(n[nH]c1=S)-c1cccs1
BDBM56661 CCOCCCNC(=S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N
BDBM56662 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
BDBM56698 Cc1nn(C)c(=S)n1-c1ccc(Cl)cc1
BDBM56699 CN(N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O)c1ncc(cc1Cl)C(F)(F)F
BDBM56700 CC(=NOC(=O)C1CC1)C1CC1c1ccc(F)cc1 |w:2.2|
BDBM56701 Clc1ccc(cc1)-n1cc(COCc2ccccc2)nn1
BDBM56702 CCOC(=O)C1C(C1C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC(C)C
BDBM56703 CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:8.8|
BDBM56776 CCCSc1nnc(NC(=O)Nc2ccc(C)cc2)s1
BDBM56777 Cc1cc([nH]n1)C(=O)NN=Cc1c(C)nn(c1C)-c1ccccc1 |w:9.9|
BDBM56778 OC(=O)c1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl
BDBM56824 COc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:19|
BDBM56663 S=C(NCC1CCCO1)Nc1ccc(Nc2ccccc2)cc1
BDBM56664 COc1cccc(c1)-c1nn(cc1CN(C)C(C)c1ccon1)-c1ccccc1
BDBM56665 COc1ccc(NC(=O)c2cc(ccc2N2CCNCC2)[N+]([O-])=O)cc1
BDBM56666 CCCN1CCC(CC1)NCc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
BDBM56667 CCc1ccc(cc1)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1cc[n+]([O-])cc1
BDBM56668 CC(CNC(=O)CCc1nnc(o1)-c1ccc(C)s1)Oc1cccnc1
BDBM56669 COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCC(CC3)N3CCCCC3)o2)c1
BDBM56670 CN(Cc1ccon1)Cc1cn(C)nc1-c1cccc(Cl)c1
BDBM56671 CC(C)c1csc(CN2CCC(CO)(Cc3ccccc3)CC2)n1
BDBM56779 Clc1ccc(nn1)-c1ccccc1
BDBM56780 CC(C)(C)c1ccc(cc1)C(=O)Cn1nc(C(O)=O)c2ccccc2c1=O
BDBM56823 COC(C\C=C\[C@@H](O)COCc1ccccc1)OC
BDBM56704 CC(=O)Cc1nsc(NC(=O)c2cccc(F)c2)n1
BDBM56705 CCOc1ccc(cc1)N(Cc1ccccc1F)C1=NC2CS(=O)(=O)CC2S1 |t:20|
BDBM56706 CC(=NNC(=S)NCc1ccccc1)c1ccc(cc1)C#N |w:2.2|
BDBM56707 COc1ccc(cc1OC)-c1cn(-c2ccc(C)cc2C)c(=O)[nH]1
BDBM56708 CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1OC(F)F
BDBM56709 [H]C12CCC([H])(C1)C(CC(=O)Nc1nc(cs1)-c1ccccn1)C2 |TLB:8:7:6:3.2|
BDBM56710 COc1cc(\C=C\C(=O)OCc2c(C)noc2C)ccc1OC(F)F
BDBM56711 CN(CC(=O)Nc1ccc2CCCc2c1)Cc1ccc(C)cc1
BDBM56781 NC(=O)c1ccc(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)cc1
BDBM56782 Fc1ccc(OCC(=O)N2CC(=O)Nc3ccccc23)c(Cl)c1
BDBM56783 Cc1sc2ncnc(OCC(=O)NC3CCS(=O)(=O)C3)c2c1C
BDBM56784 COCCn1c(N)c(C(=S)NC(=O)c2cccs2)c(=O)[nH]c1=O
BDBM56785 CNC(=O)COC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
BDBM56786 O=C(CSc1nccc(=O)[nH]1)c1cc2ccccc2o1
BDBM56787 COC(=O)c1ccc(NC(=O)CC2N(Cc3ccc(cc3)S(N)(=O)=O)C(=S)N(C)C2=O)cc1
BDBM56788 Oc1cccc(NC2=NC(=O)C(S2)=Cc2cccnc2)c1 |w:13.14,t:7|
BDBM56672 COc1cccc2c(S)c(CC=C)c(C)nc12
BDBM56673 CS(=O)(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
BDBM56674 CSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1
BDBM56789 C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O |w:6.5|
BDBM56790 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cccc3cc[nH]c23)c1
BDBM56791 O=c1[n-]c(c(C=NNC(=S)Nc2ccccc2)s1)-[n+]1ccccc1 |w:6.6|
BDBM56675 O=C(Nc1ccccc1-c1ccccc1)c1cccs1
BDBM56676 Cc1cc(\C=C/c2ccccc2)nc2ccccc12
BDBM56712 CN1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
BDBM56713 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)OCC(=O)NCc3ccccc3)C(=O)c12
BDBM56749 Nc1nnc(o1)-c1cccc(c1)[N+]([O-])=O
BDBM56792 Cc1ccccc1NNC(=O)C(=O)NNc1ccccc1C
BDBM56793 CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[N+]([O-])=O
BDBM56794 CC1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1
BDBM56677 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
BDBM56678 COc1ccc2cc(C3C(C#N)C(=N)OC(C)=C3C(C)=O)c(Cl)nc2c1 |c:16|
BDBM56679 CCCCCc1ccc(OCCCC[n+]2ccc(C)cc2)c(CCCCC)c1
BDBM56680 CC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1
BDBM56714 Nc1ccncc1Cl
BDBM56715 CC(C)NC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1
BDBM56716 COc1ccc(Nc2nc(c(s2)C(=O)Nc2cccnc2)-c2ccccc2)cc1
BDBM56717 COc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
BDBM56750 O=c1[nH]c2ccccc2nc1-c1ccccc1
BDBM56751 Cc1c(nc(N)c(C#N)c1-c1cccnc1)-c1ccc(F)cc1
BDBM56752 [O-][N+](=O)c1ccc(cc1)N1CCCCC1
BDBM56795 CCCCNC(=O)Nc1ccc(cc1)C1SCCS1
BDBM56796 Clc1ccc(Cl)c(NNC(=O)c2cccs2)c1
BDBM56797 Cc1nc(SCC(=O)c2ccccc2)[nH]c(=O)c1Oc1ccc(Cl)cc1
BDBM56681 COc1ccc(CCCc2n[nH]c(=S)n2C)cc1C
BDBM56682 CC1CC(O)(C#CC=C)C(C)CN1C
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|
BDBM56684 COc1cc(C=O)ccc1Oc1nc(Nc2ccc(F)cc2F)nc(n1)N1CCOCC1
BDBM56718 FC(F)Sc1ccc(NC(=O)c2ccccc2F)cc1
BDBM56719 CC1CN(CC(O)COC2CCC(CC2)C(C)(C)C)CC(C)O1 |(6.16,.83,;4.83,1.6,;4.83,3.14,;3.49,3.91,;3.49,5.45,;4.83,6.22,;6.16,5.45,;4.83,7.76,;6.16,8.53,;6.16,10.07,;7.5,10.84,;7.5,12.38,;6.16,13.15,;4.83,12.38,;4.83,10.84,;6.16,14.69,;6.16,16.23,;7.7,14.69,;4.62,14.69,;2.16,3.14,;2.16,1.6,;.83,.83,;3.49,.83,)|
BDBM56720 CCOC(=O)C(=NNc1cccc(c1)C(F)(F)F)N1CCOCC1 |w:6.6|
BDBM56753 OCc1nc2ccccc2n1N=Cc1cccs1
BDBM56754 CCCCCCCCNC1=CC(=O)CC(C)(C)C1 |t:9|
BDBM56755 Oc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
BDBM56756 COc1ccc(cc1OC)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
BDBM56757 CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23
BDBM56758 COc1cccc(c1)-n1c(O)cc(NNc2nc3ccccc3s2)c1O
BDBM56798 CC(C)(CO)NC(=S)NCc1ccco1
BDBM56799 Cc1ccsc1CNC(=O)c1c(C)onc1-c1ccccc1
BDBM56800 Clc1ccc(cc1)S(=O)(=O)CCNCc1cccs1
BDBM56721 [O-][N+](=O)c1ccc(C(=O)NCCc2ccc3OCCOc3c2)c(Cl)c1
BDBM56722 CCNc1ccc(cc1[N+]([O-])=O)C(=O)OC(C(C)C)C(=O)NC(N)=O
BDBM56723 CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)C2CCCCC2C1=O |c:8,17|
BDBM56724 CC(Sc1nnc(o1)-c1ccco1)C(=O)NCCC1=CCCCC1 |t:20|
BDBM56801 CCOC(=O)CC1Sc2ccccc2NC1=S
BDBM56802 Cc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1
BDBM56803 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
BDBM56804 Cc1ccccc1-n1cc(nc1SCC(N)=O)-c1ccc(Br)cc1
BDBM56685 COC(=O)c1cccc(c1)N1CCCC1=O
BDBM56686 O=C1N(C(=O)c2cccc3cccc1c23)c1ccccn1
BDBM56687 Cc1ccc(cc1)-n1c(=O)n(CC(=O)C(C)(C)C)c2ccccc2c1=O
BDBM56727 COc1ccc(cc1)S(=O)(=O)NC(CCSC)C(=O)NC1CCCCC1
BDBM56728 COc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |t:23|
BDBM56729 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1CCc1ccc(F)cc1
BDBM56730 Cc1ccc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c2c1
BDBM56731 CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(\C=C\C(O)=O)cc2)cc1
BDBM56732 CCC1CCCCN1C(=S)Nc1cccc(c1)S(=O)(=O)N(C)C
BDBM56733 Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccn1
BDBM56759 CC1(C)CC(=O)C=C(C1)NNC(=O)c1cccnc1 |c:6|
BDBM56760 COc1ccc(cc1OC)C(=O)CC=NCc1ccc(F)cc1 |w:14.15|
BDBM56805 Cn1c(CSCCOc2ccccc2)n[nH]c1=S
BDBM56806 OC[C@@H]1[C@H](C[C@H]2OC(=O)C[C@@H]12)OC(=O)c1ccc(cc1)-c1ccccc1
BDBM56688 Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NC3CCCC3)n2n1
BDBM56689 COc1ccccc1NC(=S)NN=C1CC(C)(C)Oc2ccc(O)cc12 |w:12.12|
BDBM56690 COc1cccc(c1)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
BDBM56691 OC(=O)c1cc(Sc2ccc(Br)cc2)nc2ccccc12
BDBM56692 COc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
BDBM56693 CCOC(=O)Cn1c2cc(C)cc(C)c2sc1=NC(=O)C1CC1 |w:17.19|
BDBM56694 CCN(CC)CCCNC(=O)Cn1cnc2ccc(cc2c1=O)S(=O)(=O)N1CCC(C)CC1
BDBM56695 CCc1ccc(NC(=S)N(CC2CCC(CC2)C(O)=O)Cc2cccc(Br)c2)cc1 |(3.08,8.95,;4.41,8.18,;4.41,6.64,;5.75,5.87,;5.75,4.33,;4.41,3.56,;4.41,2.02,;5.75,1.25,;7.08,2.02,;5.75,-.29,;4.41,-1.06,;4.41,-2.6,;3.08,-3.37,;3.08,-4.91,;4.41,-5.68,;5.75,-4.91,;5.75,-3.37,;4.41,-7.22,;3.08,-7.99,;5.75,-7.99,;7.08,-1.06,;8.41,-.29,;8.41,1.25,;9.75,2.02,;11.08,1.25,;11.08,-.29,;12.42,-1.06,;9.75,-1.06,;3.08,4.33,;3.08,5.87,)|
BDBM56696 Cc1ccc(C)c(c1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1cccnc1
BDBM56697 Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2C)c1
BDBM56725 CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)s2)c1C
BDBM56726 COCCCn1cn[nH]c1=S
BDBM56735 COc1cc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc(OC)c1OC
BDBM56736 COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(C)cc1
BDBM56737 CC(NC(=O)c1ccco1)C(=O)OC(C)C(=O)NCc1ccccc1
BDBM56738 CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(=O)[nH]c2ccccc12
BDBM56739 COc1ccc(\C=C\C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1OC
BDBM56740 OC(=O)\C=C\C(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
BDBM56741 NC(=O)COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM56742 COc1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)c(OC)c1
BDBM56743 O=C(NCc1cccnc1)C(=O)C1C(=O)Nc2ccccc12
BDBM56744 CCCCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
BDBM56745 ClCC(=O)Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
BDBM56746 Nc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)[nH]1
BDBM56747 CCN(CC)CCCNCC(=O)Nc1ccc(OC)c(Cl)c1
BDBM56748 CN(C)c1ccc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)cc1
BDBM56761 COc1ccc(cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCO1
BDBM56762 COc1ccc(Br)cc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1
BDBM56807 CC(=O)N1CCC(CC1)c1[nH][nH]c(=O)c1N=Nc1ccc(F)cc1F |w:15.16|
BDBM56808 CNC(=S)Nc1cccc(c1)C(=O)OC
BDBM56809 COC(=O)c1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2)c1
BDBM56606 CNC(=S)NN=C(C)c1ccc(cc1)C(C)(C)C |w:5.4|
BDBM56607 FC(F)(F)c1cccc(c1)C(=O)NCc1ccccc1Cl
BDBM56608 Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)c(C)n1-c1ccccc1
BDBM56649 Clc1ccccc1CN1C(=O)NC(=O)\C(=C/c2cccs2)C1=O
BDBM56650 N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(OC(=O)c2ccco2)cc1 |c:3,7|
BDBM56112 COc1ccc(cc1)N1C(=N)C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccnc1 |c:16|
BDBM56113 O=C1NC(=O)C(Cc2cccs2)C(=O)N1
BDBM56114 Fc1ccccc1N1CCN(Cc2nc(no2)-c2ccc(Cl)cc2Cl)CC1
BDBM56153 COC(=O)c1ccc(C)c(c1)N(CCO)CCO
BDBM56154 Cc1nnc(SCc2cccc(Oc3ccccc3)c2)n1N
BDBM56155 COc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1
BDBM56194 CS(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F
BDBM56195 CCC(=O)Nc1cc(C(C)C)c(O)cc1C
BDBM56202 [H]C12OC3(C=C1)C(CC(C)=C)N(C(=O)C3C2C(O)=O)c1cccc(OC)c1 |c:4|
BDBM56203 CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1
BDBM56204 CC1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccn1 |c:12,(3.08,-3.7,;4.62,-3.7,;5.39,-5.03,;6.93,-5.03,;7.7,-3.7,;6.93,-2.37,;5.39,-2.37,;8.61,-4.94,;10.07,-4.47,;11.32,-5.37,;10.07,-2.93,;11.32,-2.02,;8.61,-2.45,;8.13,-.99,;6.62,-.67,;9.16,.16,;8.68,1.62,;9.71,2.77,;11.22,2.44,;12.25,3.59,;11.78,5.05,;10.27,5.37,;9.24,4.23,)|
BDBM56264 COC(=O)c1cc(ccc1Cl)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:26,TLB:16:15:20:23.24,THB:12:14:20:23.24|
BDBM56265 OC(=O)Cc1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
BDBM56266 FC(F)(F)c1cc(nc2nc(nn12)C(=O)N1CCCCC1)-c1ccccc1
BDBM56267 COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1
BDBM56307 CC(=O)NC(c1ccc(F)cc1)c1cccnc1
BDBM56308 CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C
BDBM56309 Cc1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12
BDBM56350 COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(Br)cc1
BDBM56351 CC1CN(CCN1c1cccc(C)c1)C(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1
BDBM56352 Cc1cc(no1)-n1c(O)cc(Cc2ccc(Cl)cc2)c1O
BDBM56424 COc1ccc(cc1)C(=O)NC(=S)N1CCCCC1
BDBM56425 CSc1nc(nc(N)c1C(C)=O)-c1ccccc1
BDBM56426 CCC(CC)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
BDBM56540 NC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:9.10,7.8,t:1|
BDBM56541 Cc1ccc(C)c(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
BDBM56542 CC(=O)c1ccc(cc1)S(=O)(=O)N(C1=NCCCS1)c1cccc2ccccc12 |t:14|
BDBM56543 Oc1ccc(Nc2c3CCCc3c(C#N)c3nc4ccccc4n23)cc1
BDBM56544 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2n(c3CCCC(=O)c3c2c1)S(=O)(=O)c1ccc(C)cc1
BDBM56545 COc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1O |w:6.6|
BDBM56546 [O-][N+](=O)c1ccc(cc1)C1Nc2cccc3cccc(N1)c23
BDBM56609 CC1CCCC(C)N1N=Cc1c[nH]c2ccc(Br)cc12 |w:8.8|
BDBM56610 CCN(CC)c1ccc(\C=C(/C#N)C(=O)NCc2ccco2)cc1
BDBM56611 Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cn1c(C)nc2ccccc12
BDBM56043 CC(OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ncc(Cl)cc1Cl
BDBM56044 [H]C12CC(C)(CN1CC(=O)C(C#N)c1ccccc1)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
BDBM56045 CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N
BDBM56046 CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
BDBM56080 Clc1cccc2sc(nc12)N1CCCC1
BDBM56081 CCOc1ccccc1NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
BDBM56115 CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CC
BDBM56116 NC(=O)C1(CCN(CC1)C(=O)CSc1nc2ccccc2s1)N1CCCCC1
BDBM56156 COC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NC(C)C)cc1
BDBM56157 CCOc1ccc(Br)cc1-c1noc(n1)-c1cccs1
BDBM56158 COc1cc(Cl)c(cc1Cl)S(=O)(=O)N1CC(C)OC(C)C1
BDBM56310 COc1cccc(c1)C(=O)C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1ccncc1
BDBM56311 Cn1cc(-c2nnc(o2)-c2ccccc2)c2ccccc12
BDBM56312 O=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1
BDBM56313 Cc1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1
BDBM56314 Clc1ccc(cc1)-c1ccc(SCc2ccccn2)nn1
BDBM56315 CCn1c(NCc2ccc3OCOc3c2)nc2ccccc12
BDBM56353 O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 |(9.52,4.85,;8.18,4.08,;6.85,4.85,;6.85,6.39,;5.52,7.16,;5.36,8.69,;3.85,9.01,;3.08,7.68,;4.11,6.53,;8.18,2.54,;9.52,1.77,;9.52,.23,;8.18,-.54,;8.18,-2.08,;9.52,-2.85,;9.52,-4.39,;7.98,-4.39,;11.06,-4.39,;9.52,-5.93,;8.18,-6.7,;8.18,-8.24,;9.52,-9.01,;10.85,-8.24,;12.31,-8.71,;13.21,-7.47,;12.31,-6.23,;10.85,-6.7,;6.85,.23,;6.85,1.77,)|
BDBM56354 CC1CCN(CC1)c1ccc(cc1)-n1c(C)nc2n(ncc2c1=O)-c1ccc(Cl)cc1
BDBM56355 COc1ccc(cc1OC)S(=O)(=O)n1nc(cc1N)-c1ccc(Cl)cc1
BDBM56356 NC(=O)C1(CCN(Cc2ccc(F)cc2)CC1)N1CCCCC1
BDBM56357 CCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
BDBM56358 O=C(CCS(=O)(=O)c1cccc2nsnc12)NC1CCCCCC1
BDBM56359 CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C(=O)OCC)c1C
BDBM56427 Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1
BDBM56428 CC(C)(C)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
BDBM56429 CC1CCCCC1NC(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1
BDBM56471 COc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
BDBM56472 COCCNC(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccc(OC)cc1)N1CCOCC1
BDBM56506 Oc1ccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)cc1
BDBM56612 Cc1nc2cc3OCOc3cc2c(C)c1C(=O)OCC=C
BDBM56613 CC1(C)N(C(=O)COC(=O)c2cc(ccc2N)[N+]([O-])=O)c2ccccc2NC1=O
BDBM56614 CN(C1CCCCC1)C(=O)COC(=O)C(\NC(C)=O)=C\c1ccccc1
BDBM56615 Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC(F)(F)F
BDBM56616 Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc3OCOc3c2)c1Cl
BDBM56617 CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)c1C
BDBM56618 CCC(C)(C)NC(=O)\C=C\c1ccc(OC)c(c1)S(=O)(=O)N1CCOCC1
BDBM56619 Cc1ccc(\C=C\C(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)o1
BDBM56620 CCN(CC)S(=O)(=O)c1ccc2n(C)c(CCC(=O)OCC(=O)Nc3ccc(CC)cc3)nc2c1
BDBM56621 Cc1ccsc1C(=O)NNC(=O)C1CC=CCC1C(O)=O |c:15|
BDBM56082 CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1ccc(F)cc1
BDBM56083 CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC
BDBM56084 CC(C(=O)NCC1CCCO1)n1nc(C)n2c3ccoc3cc2c1=O
BDBM56085 CCOC(=O)N1CCN(CC1)C(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12
BDBM56086 COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1
BDBM56087 Cc1ccc(CCNC(=O)C2CCCN(C2)C(=O)c2cc3sccc3n2C)cc1
BDBM56088 O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)c1ccccc1
BDBM56089 COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1
BDBM56117 CC(=O)Nc1cccc(c1)C(=O)OCc1ccccc1
BDBM56118 CCC(=O)c1ccccc1OCCSc1nc(C)cc(=O)[nH]1
BDBM56119 COc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
BDBM56120 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ncccc1C
BDBM56121 CCOC(=O)CSc1nnnn1-c1cccc2ccccc12
BDBM56159 Cn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1
BDBM56160 CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(Cl)cc1
BDBM56161 FC(F)(F)C1(Nc2ncccn2)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1
BDBM56162 CCOC(=O)C1CCCN(C1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccc(OC)c1
BDBM56163 CCCCS(=O)(=O)c1sc2nc3CCCCc3cc2c1N
BDBM56206 Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 |t:7|
BDBM56207 CN(CC(=O)N1CCN(CC1)c1cc(C)ccc1C)S(=O)(=O)c1ccc2NC(=O)CCc2c1
BDBM56208 CCc1ccc(cc1)C1CC(c2ccccc2)n2ncnc2N1
BDBM56209 O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O
BDBM56210 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3cccnc23)c(OC)c1
BDBM56211 Cc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1F
BDBM56212 CCOC(=O)C1CCCN(C1)c1c(NCCCN(C)c2ccccc2)c(=O)c1=O
BDBM56213 CC1CCCCN1CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
BDBM56214 Clc1ccc(NC(=O)Cn2ncc3COc4ccccc4-c23)nc1
BDBM56268 Brc1ccc(o1)C(=O)NC1CCCCC1
BDBM56269 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
BDBM56270 CCCC(C)C1C(C#N)C(=N)Oc2c1c(=O)oc1ccccc21
BDBM56362 CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
BDBM56363 Fc1cc(Br)ccc1NC(=O)CCCN1C(=O)CCC1=O
BDBM56364 Clc1cccc(NC(=S)N2CCN(CCNC=C3C(=O)CC(CC3=O)c3ccccc3)CC2)c1 |(3.08,-11.63,;4.41,-10.86,;5.75,-11.63,;7.08,-10.86,;7.08,-9.32,;5.75,-8.55,;5.75,-7.01,;7.08,-6.24,;8.41,-7.01,;7.08,-4.7,;5.75,-3.93,;5.75,-2.39,;7.08,-1.62,;7.08,-.08,;8.41,.69,;8.41,2.23,;9.75,3,;9.75,4.54,;11.08,5.31,;12.42,4.54,;11.08,6.85,;9.75,7.62,;8.41,6.85,;8.41,5.31,;7.08,4.54,;10.52,8.96,;12.06,8.96,;12.83,10.29,;12.06,11.63,;10.52,11.63,;9.75,10.29,;8.41,-2.39,;8.41,-3.93,;4.41,-9.32,)|
BDBM56389 Cc1occc1C(=O)Nc1c(C)cc(C)cc1C
BDBM56390 CCOC(=O)C1CCCN(C1)C(=O)c1ccccc1SCC
BDBM56391 CC(C)CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccco1
BDBM56430 O=c1c2CCCCc2nc2c(c[nH]n12)C#N
BDBM56431 CCc1nnc(NC(=O)CSc2nc(c[nH]2)-c2ccccc2)s1
BDBM56465 CSc1cc(C)n(-c2ccccc2)c(=S)c1C(C)=O
BDBM56466 COc1ccc(cc1)-c1nnc(SCC(C)=C)n1N
BDBM56047 Cc1nc2sccn2c1C(=O)c1cc(C)ccc1C
BDBM56048 CCOC(=O)Nc1sc(C)nc1-c1ccccc1
BDBM56049 Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(cc1)C(C)(C)C
BDBM56091 CCCCCSc1nnc(-c2cc(Br)ccc2N)c(=O)[nH]1
BDBM56092 CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc12
BDBM56093 C(c1cccnc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12
BDBM56094 COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1
BDBM56095 CCOc1ccc(c2ccccc12)S(=O)(=O)n1ccc(C)n1
BDBM56096 CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1N
BDBM56164 O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccco1
BDBM56165 Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1
BDBM56166 COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1OC
BDBM56201 CC1CCCCN1S(=O)(=O)c1coc(c1)C(N)=O
BDBM56271 CC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1
BDBM56272 [#6]-c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |t:15|
BDBM56273 Cc1nc(=O)c(c(C)n1CC1CCCO1)-c1ccccc1
BDBM56316 CC(=O)c1[nH]c(C)c(C(C)=O)c1C
BDBM56392 COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1
BDBM56393 COC(=O)CNC(=O)CNC(=O)Nc1ccccc1Cl
BDBM56394 CCC(C)OC(=O)C(C)Oc1ccc(cc1)-c1ccccc1
BDBM56432 CN(C)C(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1
BDBM56433 COc1cc(cc(OC)c1C)C(=O)N1CCN(C\C=C\c2ccccc2)CC1
BDBM56434 CCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
BDBM56505 CCOC(=O)c1nnc(nc1NC(C)C)-c1cccs1
BDBM56507 COc1ccc(Oc2ccccc2CN=O)cc1
BDBM56547 OC(=O)\C=C\C(=O)Nc1cccnc1
BDBM56548 Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(O)cc1
BDBM56549 Cc1ccc(cc1)C(=O)NC(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl
BDBM56550 Cc1cc(N=NCc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1 |w:4.3|
BDBM56050 CN(C)CP(=O)(Nc1ccccc1)N(C)C
BDBM56051 [H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)Nc1nccs1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
BDBM56052 CC(=C)C\N=c1/scc(C)n1N=Cc1ccco1
BDBM56122 Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1
BDBM56123 O=C(NCCSc1ccccc1)c1ccccc1
BDBM56124 Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)NCc1ccncc1
BDBM56125 Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(F)cc1
BDBM56126 CN1C(=O)NC(NS(=O)(=O)c2ccc(C)cc2)(C1=O)C(F)(F)F
BDBM56127 CS(=O)(=O)N(CC(=O)Nc1ccc2OCCOc2c1)Cc1ccc(Cl)cc1
BDBM56274 O=[#6]-1\[#6](=[#6]\[#7]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-c2ccccc-12
BDBM56275 OC(=O)CCC(=O)CCC(=O)c1ccc(Cl)cc1
BDBM56276 CC1(C)CC(=O)C=C(C1)NCC(O)=O |c:6|
BDBM56317 CC(CC(=O)NC1CCCC1)c1ccccc1
BDBM56318 COc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1
BDBM56319 CCOC(=O)C1CCCN(C1)c1cc(O)n(c1O)-c1ccc(C)cc1
BDBM56320 COc1ccc(CCNC(=O)C(=O)NCC2CCCO2)cc1OC
BDBM56367 COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(Br)cc3)n2CC=C)cc1
BDBM56368 Cc1cccc(OCCn2c(nc3ccccc23)-c2ccco2)c1
BDBM56395 Fc1cccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2Cl)c1
BDBM56396 COc1ccc(cc1)S(=O)(=O)Nc1cc2c3c(CC(C)(C)CC3=O)oc2c2ccccc12
BDBM56397 COc1ccc(cc1)-c1noc(CSc2ccc(C)cc2)n1
BDBM56398 O=C(NCCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1
BDBM56399 Nc1c(cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1)-c1ccccc1
BDBM56400 CCCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
BDBM56401 COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1\C=C\c1ccccc1 |c:4,t:7|
BDBM56402 COc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1
BDBM56403 Cc1ccccc1NC(=O)CSc1nc2ccccc2o1
BDBM56404 CCN1CCN(CC1)c1cc(nc2c(c(C)nn12)-c1ccccc1)C(C)(C)C
BDBM56406 CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1
BDBM56407 Fc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1
BDBM56435 Fc1ccc(cc1F)S(=O)(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
BDBM56436 CC(C)(C)c1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM56437 Clc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc12
BDBM56438 COc1ccc(C=C2CCCC3C(N(N=C23)C(=O)COC(=O)CNC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 |w:6.5,t:14|
BDBM56439 C[C+]([N-]NS(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O)c1cc2ccccc2o1
BDBM56440 CCOC(=O)c1cc(sc1NC(=O)CN1C(=O)NC(CC)(C1=O)c1ccccc1)-c1ccccc1
BDBM56441 CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N1C(=O)c2cccc(N)c2C1=O
BDBM56442 O=C(NCCN=C1NS(=O)(=O)c2ccccc12)c1ccco1 |w:5.4|
BDBM56443 CN(CC(=O)Nc1nc(c(C)s1)-c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)C1CCCCC1
BDBM56444 COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)C(=O)NC1CCCCCC1
BDBM56445 FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)c1
BDBM56446 CCCOc1ccc(C=NNC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM56447 CCOC(=O)c1sc2cc(cc(SCC(=O)OC)c2c1N)[N+]([O-])=O
BDBM56448 Cc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)n1-c1ccc(C)cc1 |w:5.5|
BDBM56449 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc1cccc(c1)-c1cnc2ccccc2n1
BDBM56450 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OC(C)C)-c1ccc(C)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
BDBM56451 CC(O)C1CCC2C3CC[C@H]4CC(O)CCC4(C)C3CC3(OCCO3)C12C
BDBM56470 Cn1c2ccccc2n(CC(=O)c2cccs2)c1=N
BDBM56508 COC(=O)c1scc(C)c1NC(=O)Cc1ccccc1
BDBM56509 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc2ccccc2s1)C(C)=O
BDBM56510 Cc1ccc(Sc2cc(Cl)nc(N)n2)cc1
BDBM56053 O=S(=O)(N1CCN(CC1)c1nnnn1-c1ccccc1)c1ccccc1
BDBM56054 COCCn1cc(cc(C#N)c1=O)C(=O)c1ccccc1OCC(=O)Nc1cc(C)on1
BDBM56055 Cc1c(NC(=O)CN2CCCc3ccccc23)c(=O)n(-c2ccccc2)n1C
BDBM56056 CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
BDBM56057 CC(=C)Cn1c(=O)c(NC(=O)c2ccccc2)c2CCCn2c1=S
BDBM56058 Clc1ccc(cc1)-c1nnc(o1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM56059 COC(=O)c1cc(CSc2nnc(NC3CCCCC3)s2)oc1C
BDBM56060 CN(C)C(CNC(=O)CSc1nnc(o1)-c1ccco1)c1ccccc1
BDBM56098 [H]C12OC3(CN(Cc4ccc(C)cc4)C(=O)C3C1C(=O)NCc1ccco1)C=C2 |c:31|
BDBM56099 COc1ccc(NC(=O)c2oc3ccc(cc3c2C)S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
BDBM56100 Cc1ccc(cc1)C1C(C(=O)C(=O)N1c1ccccc1)S(C)(=O)=O
BDBM56101 Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(nn1)N1CCOCC1
BDBM56102 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM56103 CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NCC1CCCO1
BDBM56104 Cc1cc(c(C#N)c(SCC(=O)NC(C)(C)C)n1)C(F)(F)F
BDBM56105 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)NCc1ccc2OCOc2c1
BDBM56106 Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)OCc1ccccc1)c1cccnc1
BDBM56107 CC(NC(=O)c1cnc2SCCn2c1=O)c1ccccc1
BDBM56108 COCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
BDBM56109 O=P(C(N1CCOCC1)c1c[nH]c2ccccc12)(N1CCOCC1)N1CCOCC1
BDBM56167 COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O |(3.08,2.14,;4.07,.96,;5.59,1.23,;6.11,2.67,;6.58,.05,;5.24,-.72,;5.24,-2.26,;6.58,-3.03,;7.91,-2.26,;7.91,-.72,;9.24,.05,;9.24,1.59,;8.72,3.03,;10.58,2.36,;11.91,1.59,;13.29,2.41,;14.68,1.62,;14.68,.01,;13.29,-.78,;11.91,.05,;10.58,-.72,;10.58,-2.26,)|
BDBM56205 COCCCNC(=O)CC1Oc2ccccc2NC1=O
BDBM56239 CC(=O)c1c(C)nn(C(=O)c2cccs2)c1C
BDBM56240 COc1ccc(OC)c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3cccnc23)c1
BDBM56241 O=C1N(C(Nc2ccc3OCCOc3c2)c2ccccc12)c1ccccn1
BDBM56277 COC(=O)CCCCCC(CCC(=O)OC)NC(C)=O
BDBM56278 OC(=O)CP(=O)(c1ccccc1)c1ccccc1
BDBM56279 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CN(C(=O)C3)c3ccccc3)cc2)n1
BDBM56321 CC1CCCN(CC(=O)N2CCCc3ccccc23)C1
BDBM56322 Nc1nnc(CCOc2ccc(Cl)cc2)s1
BDBM56323 CCN(CC)CCN1C(Nc2ccccc2C1=O)c1ccccc1F
BDBM56324 Cc1cccc(N2C(=O)CSC2=NNC(=O)c2ccc(Br)cc2)c1C
BDBM56360 Cc1ccc(NC(=O)C2CCN(CC2)S(C)(=O)=O)cc1
BDBM56361 CC(C)(CO)N=CC1C(=O)Nc2ccccc12 |w:5.4|
BDBM56370 CCCCNC(=O)Cc1coc2ccc3ccccc3c12
BDBM56371 Cc1ccc(CSCC(=O)Nc2ccc3OCOc3c2)cc1
BDBM56372 CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCC(CC1)C(N)=O
BDBM56373 Brc1ccccc1OCc1ccc(o1)C(=O)N1CCN(CC1)c1ccccn1
BDBM56374 COc1cccc(Nc2nc3ccccc3n3cnnc23)c1
BDBM56375 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
BDBM56376 CCOc1ccc(CCNC(=O)c2cc3ccccn3n2)cc1OCC
BDBM56377 CCOc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM56378 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccccc2-[#16]-c2ccccc2)-[#6](=O)-[#6]1
BDBM56379 CCCn1c(N=Cc2ccc3OCOc3c2)nc2ccccc12
BDBM56511 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)c1ccc(c(NCC2CCCO2)c1)[N+]([O-])=O
BDBM56512 Cc1cccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)c1
BDBM56551 COc1ccc(CCc2nc(C)ccc2O)cc1
BDBM56552 [O-][N+](=O)c1ccc(Nc2ccc(F)cc2)nc1
BDBM56622 Cc1occc1C(=O)NNC(=O)c1ccccc1Br
BDBM56062 COc1ccccc1-c1cc(no1)C(=O)NCc1ccco1
BDBM56063 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1
BDBM56064 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)NC2CCCc3ccccc23)C1=O |c:5,TLB:9:8:2:5.6,THB:27:7:2:5.6|
BDBM56065 Cn1c2ccccc2c(OCCCC(=O)NC2CCCC2)cc1=O
BDBM56066 COc1cc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(C)C)cc(OC)c1
BDBM56090 O=C(CN1CC(=O)Oc2ccccc12)N1CCOCC1
BDBM56128 CC\N=C1/SCC(=O)N1c1ccc(OC)cc1
BDBM56129 Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1ccccc1
BDBM56168 COCC(=O)Nc1nc(ns1)-c1ccccc1
BDBM56169 CCOC(=O)c1c(N)nn(C(C)=O)c1-c1ccccc1
BDBM56170 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CN1C(=O)c2cccc3cccc1c23
BDBM56216 [H]C12OC3(CN(CC(=O)OCC)C(=O)C3C1C(=O)Nc1ccc(OCC)cc1)C=C2 |c:31|
BDBM56242 COc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(C(=O)N2CCC(C)CC2)c1=O |(3.08,-4.62,;4.41,-3.85,;5.75,-4.62,;5.75,-6.16,;7.08,-6.93,;8.41,-6.16,;8.41,-4.62,;7.08,-3.85,;7.08,-2.31,;8.41,-1.54,;9.79,-2.36,;11.19,-1.57,;12.73,-1.58,;11.95,-2.91,;11.19,.03,;9.79,.82,;9.77,2.36,;8.41,,;7.08,.77,;5.75,,;4.41,.77,;3.08,,;4.41,2.31,;5.75,3.08,;5.75,4.62,;4.41,5.39,;4.41,6.93,;3.08,4.62,;3.08,3.08,;5.75,-1.54,;4.41,-2.31,)|
BDBM56280 CCCCOCCCNC(=O)C1CCCCC1
BDBM56281 CCN(CC)C(=O)CSc1ccccc1N
BDBM56282 [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]\[#6]=[#6]-2/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6]-[#6]-1
BDBM56285 CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1
BDBM56286 O=C(NCC1CCCO1)c1c(NC(=O)c2cccs2)sc2CCCCc12
BDBM56381 [H]C12CCN(CC1)C1=C2NC(=S)NC1c1ccc(Br)cc1 |c:8,TLB:13:7:2.3:6.5,THB:9:8:2.3:6.5|
BDBM56473 Cc1nc(Cl)c(cc1-c1ccccc1)C#N
BDBM56474 CN(C)C(=CN1CCN(CC1)C=O)c1nc(oc1O)-c1ccccc1 |w:4.4|
BDBM56475 CN(C)C(=O)CSC1N(C(=O)c2ccccc12)c1ccccc1
BDBM56513 COC(=CC=Nc1ccc(Br)cc1)C(C#N)C#N |w:5.5,3.3|
BDBM56514 COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1cccc(Cl)c1N1CCOCC1
BDBM56515 O=C(NN=Cc1ccc2OCOc2c1)C1COc2ccccc2O1
BDBM56553 CC(C)COc1cccc(c1)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1
BDBM56554 Clc1cccc(\C=C\C(=O)NCc2ccncc2)c1
BDBM56555 COc1ccc(cc1)C(=O)NNC1=CC(=O)CC(C)(C)C1 |t:13|
BDBM56623 CCCCCC(=O)Nc1ccc2ccccc2c1
BDBM56624 N(c1ccccc1)c1cccc(Nc2ccccc2)c1
BDBM56625 Clc1ccc2Sc3ccccc3NC(=S)c2c1
BDBM56626 CC(=NNC(=S)NCc1ccccc1)c1ccc(Cl)cc1 |w:2.2|
BDBM56130 OC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc12
BDBM56131 OC(=O)c1cc(CN=O)ccc1OCc1ccccc1
BDBM56132 CC(C)OCCCn1c(C)c(C(C)=O)c2cc(O)ccc12
BDBM56171 COc1cc(ccc1OC(C)C)C(=O)Nc1ccc2OCCOc2c1
BDBM56172 CCc1nnc(NC(=O)CSc2nc3CCCCc3cc2C#N)s1
BDBM56218 COc1ccccc1OCC(O)CN1C(=O)NC(C)(C)C1=O
BDBM56219 COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCCCC3)c12
BDBM56220 Clc1ccc(cc1)-c1ccc(=O)n(CC(=O)NCC2CCCO2)n1
BDBM56221 COc1ccc(cc1)-c1cc(CCCC(=O)N2CCN(CC2)C(=O)c2ccco2)no1
BDBM56222 COc1cc(NC(=O)c2nccnc2C(O)=O)cc(OC)c1
BDBM56223 CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2C)c1C
BDBM56224 CC1=Nc2nc(nn2C(C1C(N)=O)c1ccccn1)-c1ccccc1Cl |t:1|
BDBM56225 CCOC(=O)N1CCN(CC1)c1c(NCc2ccccn2)c(=O)c1=O
BDBM56226 CCn1ncc(C2=NOC(C2)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C |t:6|
BDBM56227 C1CC(=CCN1c1nc2ccccc2n2cnnc12)c1ccccc1 |c:2|
BDBM56228 CC(C)OCCCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1
BDBM56229 COc1cccc(CNc2ccc3n(cnc3c2)C(C)C)c1OC
BDBM56230 CC(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1
BDBM56231 CC1CCCC(C)N1CC(O)COc1ccc(cc1)C(C)=O
BDBM56232 CCSc1nnc(s1)N1C(=O)CC(c2ccsc2)C2=C1CC(C)(C)CC2=O |c:20|
BDBM56233 CCN(CC)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1
BDBM56234 COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
BDBM56236 CCCCN(C)C(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1
BDBM56237 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(CC1)c1ncccn1
BDBM56238 CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc12
BDBM56243 [H]C12CC(C)(CN1C(=O)c1cc(on1)-c1ccccc1O)CC(C)(C)C2 |TLB:7:6:2:22.21.25|
BDBM56244 CCOc1ccc(cc1)-n1c(SCC(N)=O)nc2c3ccccc3[nH]c2c1=O
BDBM56245 CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(n1)n(C)c(=O)n(C)c2=O
BDBM56246 CCOCCn1c(CN2CCOCC2)nc2n(C)c(=O)[nH]c(=O)c12
BDBM56247 CCOC(=O)CC1N(Cc2cccc(c2)C(F)(F)F)CCNC1=O
BDBM56248 CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(C)cc1C
BDBM56249 COc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1 |t:19|
BDBM56250 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(Cl)cc1 |c:7|
BDBM56251 FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12
BDBM56252 COc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nc2CCSc2c1=O
BDBM56253 CCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc1ccc(OC)cc1
BDBM56254 Fc1ccccc1-c1nc(C#N)c(NCc2ccccc2)o1
BDBM56255 O=C1N(CCc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)c2ccccc12
BDBM56256 CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccco1
BDBM56258 CC(=O)c1c(C)n(-c2ccccc2)c(=O)nc1NCc1ccccc1
BDBM56259 Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cn1
BDBM56283 OC1(CC(=O)c2ccc3ccccc3c2O1)C(F)(F)F
BDBM56284 CC(NC(C)=O)c1ccc(Cl)c(Cl)c1
BDBM56289 CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1
BDBM56290 O=C(NCCOC(=O)C1COc2ccccc2O1)C1COc2ccccc2O1
BDBM56325 COc1ccc(CNCCCO)cc1OC
BDBM56326 CCN1CCN(CC1)C(=O)Nc1ccccc1OC
BDBM56327 CCOc1ccc(cc1)N(C(C)=O)c1nc(C)cc(C)c1C#N
BDBM56328 O=C(Cn1nnc(n1)-c1ccccc1NC(=O)C1CCC1)N1CCc2ccccc2C1
BDBM56329 COc1cc(C)nc(n1)N1CCCC(C1)C(=O)NCC(C)C
BDBM56365 CSc1ccccc1C(=O)Nc1cccc(c1)C(C)=O
BDBM56366 CCOC(=O)CN(c1cccc(c1)C(C)=O)S(C)(=O)=O
BDBM56476 CCc1cccc(Oc2nnn[nH]2)c1
BDBM56477 Cn1nc(-c2ccccc2)c2cc(sc12)-c1nnc(SCC=C)n1C
BDBM56478 CN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
BDBM56480 CCOC(=O)c1cnc(nc1Oc1ccc(Cl)c(Cl)c1)-c1ccccc1
BDBM56481 COC(=O)c1ccccc1NC(=O)Oc1ccc(cc1)C(C)C
BDBM56482 CC(C)NC(=O)ON=C(C)c1sc(nc1C)-c1ccc(Cl)cc1 |w:7.6|
BDBM56483 Brc1ccc(NC(=O)CSC2CC(=O)N(CCc3ccccc3)C2=O)cc1
BDBM56484 O=C(CSc1ncccn1)n1c2CCCCc2c2ccccc12
BDBM56516 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
BDBM56517 Cc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1C
BDBM56518 CCC(=O)c1ccc(OCc2ccc(cc2)C(=O)OC)c(OC)c1
BDBM56519 CCc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)c1ccccc1nc2C
BDBM56520 CCc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
BDBM56522 O=C(N\C(=C\c1ccco1)C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1
BDBM56523 CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(c1)[N+]([O-])=O
BDBM56524 Cn1c(Sc2ccc(cc2[N+]([O-])=O)C(F)(F)F)nnc1-c1ccccc1
BDBM56525 CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
BDBM56526 Fc1ccc(cc1)-c1csc2ncnc(Nc3ccc(cc3)N3CCOCC3)c12
BDBM56527 Clc1ccccc1NC(=O)CS(=O)(=O)c1ccc2ccccc2c1
BDBM56556 Cc1cc(Oc2ccc(cc2[N+]([O-])=O)-c2nnc(o2)-c2ccccc2)ccc1Cl
BDBM56557 COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
BDBM56558 COc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1
BDBM56627 CCOc1ccc(NC(=O)CSC2=NCCN2)cc1 |t:12|
BDBM56628 CCCNC(=O)c1cccc(Cn2cc(Br)c(n2)[N+]([O-])=O)c1
BDBM56133 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccc(F)c(Cl)c1
BDBM56134 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc2OCOc2c1
BDBM56135 COCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
BDBM56173 CCOc1ccccc1NC(=O)CCc1ccc(C)o1
BDBM56174 Brc1ccc(o1)C(=O)NCCCc1ccccc1
BDBM56175 CN(C)S(=O)(=O)N1CCc2ccccc12
BDBM56176 CC(C)(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
BDBM56177 Clc1ccc(Cn2ncc3c(ncnc23)N2CCCC2)cc1
BDBM56287 CCCn1c(NCc2cccs2)nc2ccccc12
BDBM56288 CC(=O)C1C(c2cccs2)C(C(C)=O)=C(C)N=C1C |c:17,t:14|
BDBM56383 CC(O)C\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
BDBM56384 Fc1ccc(CN2CCCN(CC(=O)NC3CCCCCCC3)C2=O)c(Cl)c1
BDBM56385 COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc(OC)c1
BDBM56386 CN1C(=O)CSc2ccc(NC(=O)Nc3cccc(C)n3)cc12
BDBM56387 O=C(NCc1ccccc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
BDBM56388 CCOC(=O)C1C(=N)OC2=C(C(=O)CCC2)C11C(=O)N(CC(N)=O)c2ccccc12 |t:9|
BDBM56479 Cc1ccc(cc1)-n1ncc(NCC=C)c(Cl)c1=O
BDBM56530 COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1
BDBM56531 Clc1ccc(OC(=O)c2ccc(COC(=O)CCC(=O)Nc3ccccc3)cc2)cc1
BDBM56532 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Oc1cccnc1-c1ccc(OC)cc1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM56533 CSc1nc(nn1C(=O)c1ccccc1)-c1ccc(Cl)cc1
BDBM56534 Cc1ccc(cc1)S(=O)(=O)CCC(=O)OCc1ccc(Cl)cc1
BDBM56535 COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)ccc1OC(=O)c1ccco1
BDBM56536 Cc1cc(C)c(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c(C)c1
BDBM56537 [O-][N+](=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1
BDBM56538 COc1ccc(cc1Cl)C(=O)Nc1ccccc1C(O)=O
BDBM56539 CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(C)cc1
BDBM56559 Cc1ccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)o1
BDBM56560 COc1ccc2=NC(=NNC(c3ccc(cc3)N3CCOCC3)=c2c1)c1cccnc1 |c:7,24,t:5|
BDBM56591 NNc1nc2ccc(F)cc2s1
BDBM56592 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM56629 CCn1c(n[nH]c1=S)-c1c(Cl)c(C)nn1C |(4.46,-2.73,;5.79,-1.96,;5.79,-.42,;7.04,.49,;6.56,1.95,;5.02,1.95,;4.54,.49,;3.08,.01,;8.5,.01,;8.98,-1.45,;8.07,-2.7,;10.52,-1.45,;11.42,-2.7,;10.99,.01,;9.75,.92,;9.75,2.46,)|
BDBM56630 CC1(CC1(Cl)Cl)C(=O)N1CCOCC1
BDBM56631 Cc1ccc(NCc2cccnc2)c(Br)c1
BDBM56632 Fc1ccc(CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1
BDBM56633 CC(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM56634 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)Nc1cn(C)nc1C)(C2)C3 |TLB:5:3:22:6.9.8,THB:2:3:9:1.22.8,5:6:22:3.23.2|
BDBM56061 CSc1c(CC(=O)NCCO)n(C)c2ccccc12
BDBM56097 Nc1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1
BDBM56136 COc1cc2c3N(C(=O)C22C(C#N)=C(N)Oc4cc(O)ccc24)C(C)(C)C=C(C)c3c1 |t:13,29|
BDBM56330 Cc1ccc(NC2=NCC(=O)N2C2CCCC2)c(C)c1 |t:6|
BDBM56332 CCCc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1
BDBM56333 COc1ccc(CC(=O)N2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
BDBM56334 CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
BDBM56369 CCn1c(=S)[nH]c2nc3CCCCc3cc2c1=O
BDBM56561 Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
BDBM56562 CCOc1ccc(Cn2ccnc2)cc1[N+]([O-])=O
BDBM56563 O=c1oc(nc2ccccc12)-c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
BDBM56564 [H]C12C3C(C(=O)N(C3=O)c3nc(cs3)-c3ccc(OC)cc3)C([H])(c3ccccc13)c1ccccc21 |TLB:31:30:3.2:29.24,25:24:3.2:35.30,4:3:29.24:35.30,THB:34:35:3.2:29.24,28:29:3.2:35.30,7:2:29.24:35.30,(20.09,1.47,;19.37,.83,;15.54,-.86,;16.31,-2.19,;15.28,-3.33,;15.6,-4.84,;13.88,-2.7,;14.04,-1.18,;12.89,-.15,;12.55,-3.47,;11.14,-2.85,;10.11,-3.99,;10.88,-5.33,;12.39,-5.01,;8.58,-3.83,;7.95,-2.43,;6.42,-2.26,;5.52,-3.51,;3.98,-3.35,;3.08,-4.6,;6.14,-4.92,;7.67,-5.08,;18.97,-.65,;19.61,.05,;21.79,-1.82,;22.91,-2.97,;24.46,-2.57,;24.88,-1.02,;23.74,.1,;22.19,-.34,;17.47,2.14,;16.07,2.92,;16.05,4.52,;17.44,5.33,;18.83,4.51,;18.8,2.91,)|
BDBM56593 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1
BDBM56594 Cc1ccccc1CN1CCc2c(OCC(=O)N3CCCc4ccccc34)cccc2C1=O
BDBM56595 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCCCC1
BDBM56596 Fc1ccc(CNC(=O)c2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(F)(F)F)cc1
BDBM56597 Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
BDBM56598 CN(C)c1ccc(cc1)\N=N\c1ccccc1C(=O)OCC(=O)NCC1CCCCC1
BDBM56137 CSCCC(NC(=O)c1cncc(Br)c1)C(O)=O
BDBM56138 O=C(NCc1ccccc1)c1cccnc1N1CCOCC1
BDBM56139 O=C(NCc1ccccc1)NC(=O)c1ccncc1
BDBM56140 CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1
BDBM56141 Cc1ccc2[nH]c(=O)c(N3CCOCC3)c(-c3ccccc3)c2c1
BDBM56142 COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1
BDBM56143 NC(=O)COc1c(oc2ccccc2c1=O)-c1ccccc1
BDBM56178 COc1ccc(cc1OC)S(=O)(=O)NCCC(C)C
BDBM56179 CCSc1ccccc1C(=O)NCCCn1ccnc1
BDBM56180 COc1ccc(Br)c2Cc3sc(NC(=O)c4ccco4)nc3-c12
BDBM56181 Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1
BDBM56182 COC(=O)c1cc(NC(=O)c2ccoc2C)cc(c1)C(=O)OC
BDBM56215 CC(C)Cc1cc(no1)C(=O)NCCN1CCOCC1
BDBM56291 CCOCCCNC(=O)c1cccs1
BDBM56292 CC(N1CCOCC1)C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1
BDBM56293 COc1ccc(CCNS(=O)(=O)c2ccc3OCCOc3c2)cc1OC
BDBM56335 Cc1ccc(cc1C)S(=O)(=O)N1CCN=C1c1ccccc1 |c:15|
BDBM56336 COc1cccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NC(C)C)c1
BDBM56337 Cc1nn(Cc2ccc(o2)C(=O)Nc2cc(C)cc(C)c2)c(C)c1Cl
BDBM56338 CCCCC(=O)[N-]S(=O)(=O)c1ccc(cc1)\N=N\N(C)C
BDBM56408 CN1C(=O)C(NC(C)=O)c2cc(Br)ccc12
BDBM56409 Oc1ccc(C2Nc3cccc4cccc(N2)c34)c(O)c1
BDBM56410 O=c1n(CCN2CCCCC2)c2sc3CCCCCc3c2c(=O)n1Cc1ccco1
BDBM56599 [O-][N+](=O)c1cccc(c1)-c1cc2cccc[n+]2cc1-c1cccc(c1)[N+]([O-])=O
BDBM56635 Fc1ccc(cc1)-n1cc(C=O)c2ccccc12
BDBM56636 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1cccnc1
BDBM56183 COC(=O)c1ccccc1NC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM56184 Oc1cc(Nc2ccccc2)c(O)n1-c1ccc(cc1)N1CCOCC1
BDBM56185 CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl
BDBM56217 O=C(N1CCc2ccccc12)c1cnn2ccccc12
BDBM56294 CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC(C)C)cc1
BDBM56295 COCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC
BDBM56296 CN(C)C1OC2=C(C=C1C)C(=O)c1cccc3cccc2c13 |c:5,7|
BDBM56411 CC(C)(C)C(=O)NC1(C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F |c:19|
BDBM56412 Cc1ccc(C=Nn2cnnc2)s1
BDBM56413 CN1CCN(CC1)C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O
BDBM56485 CC(=O)NN1C(=S)S\C(=C\c2ccccc2)C1=O
BDBM56486 Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(C)cc2)n1
BDBM56487 [O-][N+](=O)c1cccc(c1)[C+]1[N-]OC2(CN(Cc3ccccc3)CC12)C(=O)NCc1ccc(cc1)C(F)(F)F
BDBM56488 COc1ccc(CN(C(C(=O)NC2CCCCC2)c2ccc3ncccc3c2)C(=O)c2ccc3OCCOc3c2)cc1
BDBM56489 COc1cccc(c1)-c1csc(n1)N1CCN(CC1)C(=S)Nc1ccccc1
BDBM56565 [#6]-c1ccc(-[#7]-[#6](=O)-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
BDBM56566 CC1CCC(CC1)NC(=O)C1N(Cc2cccs2)C(=O)c2ccccc12 |(8.57,6.74,;8.09,5.27,;9.12,4.13,;8.64,2.66,;7.13,2.35,;6.1,3.49,;6.58,4.96,;6.65,.88,;7.68,-.26,;9.19,.05,;7.2,-1.73,;8.1,-2.97,;9.64,-2.97,;10.41,-4.3,;11.95,-4.46,;12.27,-5.97,;10.93,-6.74,;9.79,-5.71,;7.2,-4.21,;7.68,-5.67,;5.75,-3.74,;4.41,-4.51,;3.08,-3.74,;3.08,-2.2,;4.41,-1.43,;5.75,-2.2,)|
BDBM56567 COc1cc2[nH]c(=S)n3nc(COc4ccccc4C)nc3c2cc1OC
BDBM56568 On1n(nc([N+]([O-])=O)\c1=N/Cc1cccnc1)-c1cccc(Cl)c1
BDBM56569 CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=S)Nc1cc(C)ccc1C
BDBM56570 [O-][N+](=O)c1cccc(\C=N\c2cc3OCCOc3cc2Br)c1
BDBM56571 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2cccnc2)CC1
BDBM56572 Cc1cc(C)cc(OP(C)(=O)Nc2ccc(SC(F)(F)F)cc2)c1
BDBM56573 CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1
BDBM56574 Clc1ccc(cc1)-c1csc(n1)-c1cc2ccccc2oc1=N
BDBM56575 CCOc1ccccc1\C=C(\NC(=O)c1ccccc1)C(=O)NCC(O)=O
BDBM56576 O=C(N\C(=C/c1cccc2ccccc12)C(=O)OCc1ccccc1)c1ccccc1
BDBM56577 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c2CCCCc12
BDBM56578 CNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N(Cc1ccccc1)Cc1ccccc1)\C#N
BDBM56579 Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S\C(=C/c2cccn2C)C1=O
BDBM56580 CC(CC(=O)NCCCN1CCOCC1)=NNC(=O)COc1ccc(C)cc1 |w:15.16|
BDBM56581 Cc1nn(c(Cl)c1C=NNC(=O)c1ccc(C)nc1)-c1ccccc1
BDBM56582 COC(=O)NCC(N1CCN(CC1)c1ccc(F)cc1)c1ccco1
BDBM56583 Cc1nn(c(N)c1C(O)(C(F)(F)F)C(F)(F)F)-c1ccccc1
BDBM56584 Cc1cc(N=NCc2ccccc2Br)nc2ccccc12 |w:4.3|
BDBM56585 COc1ccc(CNC(=O)NC(C)(C)c2cccc(c2)C(C)(C)NC(=O)NCc2ccc(OC)cc2)cc1
BDBM56586 FC(F)Oc1ccc(cc1)C(=O)NCc1ccc[n+](CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)c1
BDBM56587 CC(C)N1C(=O)N(Cc2ccco2)C(=O)C(=CNc2ccc(Br)cc2)C1=O |w:16.17|
BDBM56588 CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
BDBM56589 Oc1ccccc1C=NOCC(=O)N1CCc2ccccc12 |w:8.9|
BDBM56590 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/C(=O)Nc3ccc(Cl)cc3)C2=O)cc1
BDBM56601 Fc1ccc(cc1)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccccc1
BDBM56637 CCC=S(C)NS(=O)(=O)c1ccc(C)cc1 |w:2.1|
BDBM56638 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccc(F)cc1
BDBM56639 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)C(C)=O
BDBM56067 CC(C)c1cc(no1)C(=O)Nc1cccnc1
BDBM56068 CCC(=O)N1C(C2C(=O)CCCC2=Nc2ccccc12)c1ccc(cc1)N(C)C |c:13|
BDBM56069 CN1CCN(CC1)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
BDBM56186 COc1ccc(cc1)N(C(C)C(=O)NC1CCCCCC1)S(C)(=O)=O
BDBM56297 CC(=O)N1CN2CN(CC(C2)(C1)C(=O)c1ccccc1)C(C)=O
BDBM56298 CC1=C(C(C2C(=O)CCCC2=N1)c1cccs1)C(=O)N1CCCCC1 |c:11,t:1|
BDBM56339 Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
BDBM56340 Clc1ccc(cc1)\N=C(/N1CCOCC1)P(=O)(N1CCOCC1)N1CCOCC1
BDBM56414 CCC(=O)C1=C(CC(C)(C)CC1=O)N1CCCC1 |t:4|
BDBM56415 [H]C12CCC3(C)C1(C)COC3(C2)C(=O)Nc1nccs1 |TLB:3:4:1.11:9.8,2:1:4:9.8,THB:8:6:10.11:3.2,5:4:1.11:9.8,7:6:10.11:3.2|
BDBM56416 CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(C)cc2[nH]1
BDBM56452 CCCC(=O)NC(=S)Nc1ccc(Cl)cn1
BDBM56453 [H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccccc1C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
BDBM56454 Cc1ccccc1NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)N1C(SCC1=O)c1ccccc1
BDBM56455 COc1cccc(c1)C(=O)NN=Cc1ccc(OC2CSC2)cc1
BDBM56528 CCC(CO)NC1=C(C(=O)CC(C)(C)C1)[N+]([O-])=O |t:6|
BDBM56529 Clc1ccc(CNC2=CC(=O)CCC2)cc1 |t:7|
BDBM56600 Fc1ccc(CC(=O)NN=Cc2ccncc2)cc1
BDBM56640 [O-][N+](=O)c1ccc(cc1NC1CC1)N1CCCC1
BDBM56641 Clc1ccc(NC(=S)NCCN2CCOCC2)cc1
BDBM56642 CCOc1ccc(cc1)C(=O)n1cnnc1N
BDBM56643 COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC#N |w:5.4|
BDBM56070 COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
BDBM56071 O=C1CSC(N1Cc1ccco1)c1cn(nc1-c1cc2ccccc2oc1=O)-c1ccccc1
BDBM56144 Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1
BDBM56145 Clc1ccccc1C(=O)NCc1ccccn1
BDBM56146 Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)N1CCCCCC1
BDBM56148 CN(c1ccc(cc1)C(=O)NCc1ccccc1)S(C)(=O)=O
BDBM56187 Clc1ccccc1-c1nc(no1)-c1cccnc1
BDBM56188 Cc1ccc(cc1)N(C1CS(=O)(=O)C=C1)C(=O)C1CCCC1 |c:14|
BDBM56299 CN(C)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
BDBM56300 Cc1cccc(Nc2sc(=O)n(c2O)-c2ccccc2)c1
BDBM56301 Cc1nnc(NC(=O)c2cccc(F)c2)s1
BDBM56341 CC(=NOc1nc(C)cc(C)n1)c1ccc(Br)cc1
BDBM56342 Cl\C(C=NNC(=O)c1cnccn1)=C\c1ccccc1
BDBM56343 COc1cccc2C3C(COc12)COc1c3c(=O)n(C)c(=O)n1C
BDBM56417 Cc1ccc2nc(C)c(=NO)c(C)nc2c1 |w:9.9|
BDBM56418 CN1\C(=C/C(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)(C)c2ccccc12
BDBM56419 CC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1
BDBM56456 COc1ccc(cc1)\N=C1\S\C(=C/c2cc(C)n(C)c2C)C(=O)N1C
BDBM56459 NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccco2)c1N
BDBM56460 COc1cc(cc(OC)c1OC)C(=O)N1CCC(O)(CC1)c1ccccc1
BDBM56461 CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC
BDBM56462 CN(CC(=O)Nc1ccc(cc1)C#N)Cc1ccc(Cl)cc1Cl
BDBM56463 CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1
BDBM56464 Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)no1
BDBM56490 COc1ccccc1NC(=O)c1csc2CCCCc12
BDBM56491 Clc1ccc(cc1Cl)\N=C(\N1CCOCC1)c1ccccc1
BDBM56492 Cc1nc(Cl)c2oc3ccccc3c2n1
BDBM56602 COc1ccc(C2=NCCn3cccc23)c(OC)c1 |t:6|
BDBM56603 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C=Cc1cccc(F)c1 |w:18.18|
BDBM56644 CC(C(O)=O)n1cc(Cl)cn1
BDBM56645 Oc1ccc(cc1)C(=O)n1cc(cn1)C(=O)c1ccccc1O
BDBM56072 COC(=O)c1c(C)oc(C)c(C(=O)OC)c1=O
BDBM56073 CCOC(=O)c1sc2ccc(cc2c1N)S(=O)(=O)N1CCOCC1
BDBM56074 Cc1ccc(C)c(c1)C1=CSC2=NCCN12 |t:9,12|
BDBM56075 CCN(CC)c1cc(C)c2cc(NC(=O)CNC(C)=O)ccc2n1
BDBM56076 Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2N)c1
BDBM56077 CCOC(=O)CCC(=O)NCc1ccc2n(C)c(C)cc2c1
BDBM56078 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1CCN(CC1)C(=O)c1cc2cccc(OC)c2oc1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
BDBM56079 CCN(CC)CCCN1C(SCC1=O)c1ccc2OCOc2c1
BDBM56147 CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O
BDBM56149 CCCCSc1nc2CCCc2cc1C#N
BDBM56189 COC(=O)c1cccc(NC(=O)CSc2nnc(C(C)NC(=O)c3cccs3)n2CC=C)c1
BDBM56190 Cc1ccc(cc1C)-c1n[nH]c2OC(=N)C(C#N)C(c3ccoc3)c12
BDBM56193 FC(F)(F)c1cccc(c1)-c1nnn(CC(=O)N2CCOCC2)n1
BDBM56260 CC(=O)NC1CSCC1OC(C)=O
BDBM56302 COc1cccc(c1)C(=O)N1CCSC1=S
BDBM56303 CCOC(=O)Nc1c(O)ccc2oc(C)c(-c3ccccc3)c12
BDBM56304 COc1ccccc1CNc1nc(Cl)c(-c2ccc(OC)c(OC)c2)n(-c2ccccc2)c1=O
BDBM56344 COc1ccc(cc1)C(=O)c1cnc2cc3OCOc3cc2c1C
BDBM56345 NC1=NC(SCc2ccccc2)=C(C#N)C2(CCCC2)C1C#N |t:1,12|
BDBM56346 Fc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
BDBM56380 CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1
BDBM56382 Clc1cc(Cl)cc(NC(=O)c2cnn3cccnc23)c1
BDBM56420 Clc1ccc(cc1)C(=O)NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12
BDBM56421 CCCC(C)N=C1CCCCCN1 |w:5.4|
BDBM56422 FC(F)(F)c1cnc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(Cl)c1
BDBM56457 Cc1occc1C(=O)NNC(=O)c1ccccc1C
BDBM56458 [O-][N+](=O)c1ccc(OCC(=O)N[N-][C+]2CCCC2)cc1
BDBM56493 CCCOc1ccc(OCCNC2CCCC2)cc1
BDBM56494 CCCCC(=O)Nc1cc(ccc1Cl)C(=O)NCCc1ccccc1
BDBM56495 CSc1nc(Sc2ccc(Cl)cc2)c2ccccc2n1
BDBM56604 CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC
BDBM56605 CCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc23)c1CC
BDBM56646 Fc1cccc(Cl)c1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1cn[nH]c1
BDBM56647 OCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
BDBM56648 C(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
BDBM56110 Cc1cc(-c2ccco2)n(CC(O)=O)n1
BDBM56111 CCCc1nc2c(o1)c1ccccc1[nH]c2=O
BDBM56150 Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
BDBM56151 CCCNC(=O)N1CCN(CC1)c1ncccn1
BDBM56152 Cc1occc1C(=O)Nc1cccnc1
BDBM56191 Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1
BDBM56192 Clc1ccc2c(ccnc2c1)N1CCNCC1
BDBM56196 Fc1ccccc1CN1CCN(CC1)C(=O)c1cccc(Cl)c1
BDBM56197 CN(c1ccccc1)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
BDBM56198 CCN(CCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)c1ccccc1
BDBM56199 CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCc2ccco2)c1C
BDBM56200 Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cn1)c1cc(C)cc(C)c1
BDBM56261 Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1
BDBM56262 CCOC(=O)C(C)n1cnc2sc3CCCc3c2c1=O
BDBM56263 CCCn1ncc(SC)c(O)c1=O
BDBM56305 CN1c2ccccc2Sc2ccc(cc12)C(C)=O
BDBM56306 CC(C)C(NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(C)cs2)n1CC=C
BDBM56347 Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
BDBM56348 Cc1occc(=O)c1OC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM56349 CCOc1ccccc1NC(=S)NCc1ccco1
BDBM56423 COc1ccc(OCCCc2c(C)n[nH]c2C)cc1
BDBM56467 COc1ccc(OC)c(c1)C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:13|
BDBM56468 NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1c(F)cccc1Cl |c:1,18,t:12|
BDBM56469 OC(CNc1ccccc1)COc1ccc(OCC(O)CNc2ccccc2)cc1
BDBM56496 COc1ccc(Oc2ccccc2C=O)cc1
BDBM56497 CN1C(=O)S\C(=C/c2ccccc2Oc2ccc(C)cc2)C1=O
BDBM56498 OCc1cc(=O)c(OCc2cccc(F)c2)co1
BDBM56499 CC(=O)c1cccc(NC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1
BDBM56500 CCOC(=O)n1c2ccccc2n(Cc2c(Cl)cccc2Cl)c1=O
BDBM56501 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCCNC(=O)Nc1ccc(OC(F)(F)F)cc1
BDBM56502 Cc1ccc(NC(=O)Cc2ncc(cc2Cl)C(F)(F)F)cc1Cl
BDBM56503 O=C(Cc1cccs1)N(C(C(=O)NCC1CCCO1)c1cccnc1)c1ccccc1
BDBM56504 COc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccco1 |c:6,8|
BDBM50077014 O=c1oc(nc2ccccc12)-c1ccco1
BDBM50099308 Clc1ccc(cc1)[C@@H]1CN(C[C@H]1C(=O)c1ccccc1)c1ccccc1
BDBM50128572 CNC(=O)Oc1cccc2ccccc12
BDBM50228096 Fc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1
BDBM50244216 O=c1n2CCCc2nc2ccccc12
BDBM50292533 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
BDBM50289001 COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
BDBM50302107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
BDBM50309586 Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccc(N)c1
BDBM50355086 COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)|
BDBM50355087 COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
BDBM50355088 COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)|
BDBM50391075 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
BDBM50391076 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r|
BDBM50391077 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r|
BDBM50391078 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
BDBM50391079 CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50438170 Nc1nc(nn1C(=O)c1ccc(Cl)cc1Cl)-c1cccnc1
BDBM50446211 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446212 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446213 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446214 CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446215 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446216 CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446217 CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446218 CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446219 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446220 O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446221 O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446222 CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446223 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446224 CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446225 CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446226 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446227 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
BDBM50446228 [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
BDBM50446229 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446230 Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r|
BDBM50444597 COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
BDBM50444598 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
BDBM50444602 COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
BDBM50444603 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
BDBM50444604 COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
BDBM50124906 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM50125021 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM50125028 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM50125044 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM50154253 COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r|
BDBM50154252 COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
BDBM50154254 COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
BDBM113060 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC
BDBM113065 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
BDBM113067 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC
BDBM113068 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O
BDBM113069 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
BDBM113119 COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113248 Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113283 COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113292 CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113293 CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113294 CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C
BDBM113295 COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
BDBM113296 COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113297 CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113299 COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8|
BDBM113300 Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113301 COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1
BDBM50167828 COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC |r,t:2,31|