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216 SMILES Strings for neuronal munc18-1 binding protein

Compound NameSMILES String
BDBM29673 Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(CO)c3OC(=O)c12
BDBM29677 CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
BDBM29685 O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
BDBM29615 COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
BDBM29622 Cc1cc(C)cc(c1)-n1c2ncn(Cc3ccco3)c(=O)c2c2nc3ccccc3nc12
BDBM31757 OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
BDBM31083 CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
BDBM33077 OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM33199 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
BDBM33200 CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM33049 COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
BDBM33057 Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
BDBM33178 Clc1nss\c1=N/c1ccc(Br)cc1
BDBM33187 Clc1nss\c1=N\c1cccc(c1)C#N
BDBM34295 Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1 |c:17|
BDBM34207 COc1ccc2[nH]c(=O)c(CN(C(C(C)C)c3nnnn3Cc3ccco3)C3CCCCC3)cc2c1
BDBM33191 CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
BDBM33051 COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
BDBM32311 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
BDBM32340 CCc1n[nH]c2cccc3c(OC)ccc1c23
BDBM34943 CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
BDBM34497 CN1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OCc2ccccc2)c1 |c:4|
BDBM34512 Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCN(CC1)c1ccccc1F)c2=O
BDBM34515 COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2cc(OC)c(OC)cc2OC)c(OC)c1 |c:9|
BDBM34520 Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCOCC1)c2=O
BDBM34791 CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
BDBM34804 [#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
BDBM34882 OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\C=C\c2ccco2)C1=O)C(F)(F)F |c:12|
BDBM34981 Oc1c(O)c(=O)[nH]c2ccccc12
BDBM41073 Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
BDBM40991 Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
BDBM40998 Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
BDBM40727 Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|
BDBM40694 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
BDBM40956 NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
BDBM40714 COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM40691 O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
BDBM40234 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
BDBM39932 CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
BDBM46226 CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
BDBM46177 O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM46184 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCOCC1
BDBM44477 CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
BDBM48508 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM48719 Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
BDBM48896 OC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
BDBM47798 CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
BDBM48795 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
BDBM48802 CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
BDBM48879 CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
BDBM47669 OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
BDBM47443 FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
BDBM47719 Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
BDBM46685 Cc1ccc(cc1)\N=c1\ssnc1Cl
BDBM46686 Clc1nss\c1=N\c1ccccc1
BDBM51298 OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
BDBM51263 Oc1c(C#N)c(C#N)c(O)c2ccccc12
BDBM50137 CC(C=Cc1ccco1)=NNC(=O)Cc1cccs1 |w:9.10,2.1|
BDBM50065 Oc1cccc2cc3cccc(O)c3c(O)c12
BDBM50158 CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1 |c:8|
BDBM49921 [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
BDBM50161 CC(C=Cc1ccco1)=NNC(=O)c1cc(C)n[nH]1 |w:9.10,2.1|
BDBM50605 COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
BDBM50572 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(-c3c4[C@H](O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1 |wD:15.15,21.22,13.13,23.24,(15.09,3.2,;14.09,2.03,;12.58,2.3,;12.03,3.81,;10.45,4.07,;9.9,5.51,;10.88,6.7,;9.44,2.83,;7.92,3.1,;7.39,4.54,;6.93,1.92,;5.35,2.22,;4.31,1,;4.86,-.51,;3.42,-1.04,;6.44,-.78,;6.99,-2.22,;7.46,.47,;8.97,.2,;9.5,-1.25,;10.83,-2.02,;12.21,-1.19,;12.19,.35,;13.61,-1.98,;14.94,-1.21,;13.61,-3.59,;12.21,-4.38,;10.83,-3.56,;9.5,-4.33,;9.5,-5.87,;8.17,-3.56,;6.79,-4.38,;6.81,-5.92,;5.48,-6.7,;5.39,-3.59,;5.39,-1.98,;3.85,-1.98,;3.08,-3.31,;6.79,-1.19,;8.17,-2.02,;9.96,1.38,;11.54,1.08,)|
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|
BDBM50620 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM50475 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cc2ccccc2oc1=O
BDBM50478 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Cl)c1
BDBM50612 CC1(C)N([O-])c2cc(ccc2[N+]1=O)[N+]([O-])=O
BDBM50582 COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
BDBM50740 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC
BDBM50600 CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
BDBM50670 CCNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM50564 CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O
BDBM50646 COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
BDBM49132 O=C(N1CCC2(CC1)OCCO2)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM53605 ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
BDBM53124 COc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)cc2O)s1 |w:19.19|
BDBM53342 O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
BDBM52875 COc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O
BDBM52887 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 |c:25,t:5,7|
BDBM52899 COc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O
BDBM53170 [O-][N+](=O)C1C(=O)c2cccc3cccc(C1=O)c23
BDBM53174 c1coc(c1)-c1nnc(nn1)-c1ccco1
BDBM51613 Nc1ccc2nc([nH]c2c1)-c1ccc(N)c(Cl)c1
BDBM51541 Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
BDBM51781 Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
BDBM51791 Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
BDBM54722 OC(=O)CCc1ccc(o1)-c1cccs1
BDBM54723 CCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O |c:15|
BDBM54724 O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
BDBM54725 CC(C=Cc1ccco1)=NNC(=O)c1cccnc1 |w:9.10,3.3|
BDBM54726 Cc1ccc(cc1)-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccc(C)cc1
BDBM54727 CCCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1 |c:9|
BDBM54728 O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1 |w:6.6|
BDBM54729 [H]C12C=CC([H])(C3C1C(=O)N(N=Cc1ccc(o1)N1CCCCC1)C3=O)C21CC1 |c:2,TLB:8:7:26:2.3,THB:24:6:26:2.3|
BDBM54730 COc1ccc2nc(NC(=O)\C=C\c3ccc4OCOc4c3)sc2c1
BDBM54731 Clc1ccc(SCC(=O)Nc2cccc(c2)-c2nc3ccccc3[nH]2)cc1
BDBM54732 Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(13.85,-1.03,;12.52,-1.8,;12.52,-3.4,;11.13,-4.2,;9.75,-3.37,;8.41,-4.14,;7.08,-3.37,;5.75,-4.14,;7.08,-1.83,;5.75,-1.06,;5.75,.48,;4.41,1.25,;3.08,.48,;4.41,2.79,;5.75,3.56,;5.75,5.1,;7.08,2.79,;7.08,1.25,;8.41,.48,;8.41,-1.06,;9.75,-1.83,;11.13,-1.01,)|
BDBM54733 CN1C(=O)C(Cl)(Cl)C(=O)c2ccccc12
BDBM54734 COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O
BDBM54735 CCN1C(=O)N\C(=C\c2ccc(C)o2)C1=O
BDBM54736 Cc1ccc(\C=C\C(=O)N2CCN(CC2)c2ncccn2)o1
BDBM54737 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1ccccc1
BDBM54738 CCOc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
BDBM54739 COc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccc(F)cc2)c1O
BDBM54740 Cc1ccc(\C=C\C(=O)NCc2ccc(cc2)S(N)(=O)=O)o1
BDBM54741 OC(=O)CCCNC(=O)\C=C\c1ccco1
BDBM54742 CC(=O)NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(C)o2)cc1
BDBM54745 CN(CCOC(=O)\C=C\c1ccco1)Cc1ccccc1
BDBM54746 CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)N1CCOCC1
BDBM54747 Cc1cc(C)c2c(n1)sn(CC(=O)NC1CCCC1)c2=O
BDBM54748 OCc1cc(=O)c(O)c(o1)C(Nc1cccc(c1)C(F)(F)F)c1ccccn1
BDBM54751 O=C(COC(=O)CNC(=O)c1ccc(cc1)-c1ccccc1)NCc1ccco1
BDBM54752 [O-][N+](=O)c1ccc(\C=C\C(=O)N(C2CCCCC2)c2ccccn2)cc1
BDBM54753 Cc1ccc(o1)-c1nn(cc1\C=C\C(O)=O)-c1ccccc1
BDBM54743 O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
BDBM54744 CCc1nc2sc3c([nH]c(O)cc3=O)c2cc1C
BDBM54754 OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
BDBM54755 C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)\C=C\C=C/C)C(N)=O)C1 |t:15|
BDBM54718 CCCC(N(C1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)o1)C(=O)NC1CCCC1
BDBM54719 Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O
BDBM54720 CCOC(=O)c1sc2nc(-c3ccco3)c3COC(C)(C)Cc3c2c1N
BDBM54721 Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1 |c:17|
BDBM54756 NC(=O)NC(=O)C=CC(=O)OCC=C
BDBM54757 C\C=C\C=C/C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)\C=C\C)C(N)=O)C1 |t:15|
BDBM54758 CC1=C(C#N)C(=O)N(C2CCS(=O)(=O)C2)C(=O)\C1=C/c1ccco1 |c:1|
BDBM54759 COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl |c:8|
BDBM54760 Cn1sc(=O)c2cc(ccc12)S(=O)(=O)NC1CC1
BDBM54761 O=S(=O)(c1cccs1)c1nccnc1C#N
BDBM54762 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccc(CO)cc1 |c:31,t:5,7|
BDBM54763 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
BDBM54764 Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
BDBM54765 NC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1cc(Cl)c(N)c(Cl)c1
BDBM54766 CC1CC(C)CN(C1)C(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
BDBM54767 Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)ccc3O)ccc12
BDBM54226 COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1
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|
BDBM65749 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NCc1ccccc1
BDBM65750 Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65751 Fc1cccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM65752 COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65753 COc1ccc(CCNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1OC
BDBM65754 Cc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65755 Fc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65756 Clc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65757 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)cc1
BDBM65758 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NC(=O)c1ccccc1
BDBM65759 COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65760 COc1ccc(CNC(=O)C(C)OC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65761 CC(NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccc(F)cc1
BDBM65762 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1OC
BDBM65763 COc1ccccc1NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65764 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCc2ccccc2C1
BDBM65765 Clc1cccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM65766 CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65767 COc1ccc(CCNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65768 COc1ccccc1CCNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65769 Clc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65770 Cc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65773 COc1ccc(CNC(=O)COC(=O)c2cccc3ccccc23)cc1
BDBM65774 COc1ccccc1CNC(=O)COC(=O)c1cccc2ccccc12
BDBM65775 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(OC)c1
BDBM65776 COc1ccccc1CNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65777 COc1ccc(CNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65778 COc1ccccc1COC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65779 COc1ccccc1CNC(=O)CCOC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65780 COc1ccc(CNC(=O)CCOC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65781 COc1ccccc1CNC(=O)CNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65783 COc1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65784 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM65785 CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM65786 O=C(NCCc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65787 COc1cccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM65788 COc1ccccc1CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM65789 Clc1cccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM65790 O=C(NCCc1ccccn1)c1cc(nc2ccccc12)-c1ccco1
BDBM65791 O=C(NCCc1cccnc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65792 O=C(NCCc1ccncc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65793 O=C(NCCCc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65794 O=C(N1CCN(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65795 O=C(N1CCCC(C1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65796 O=C(N1CCCCC1Cc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65805 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1 |c:5,TLB:11:13:2:6.5,THB:8:7:2:6.5|
BDBM65797 O=C(NC1CCC(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1 |(9.52,1,;8.18,1.77,;6.85,1,;6.85,-.54,;5.52,-1.31,;5.52,-2.85,;6.85,-3.62,;8.18,-2.85,;8.18,-1.31,;6.85,-5.16,;5.52,-5.93,;5.52,-7.47,;6.85,-8.24,;8.18,-7.47,;8.18,-5.93,;8.18,3.31,;6.85,4.08,;6.85,5.62,;8.18,6.39,;9.52,5.62,;10.9,6.44,;12.29,5.65,;12.29,4.05,;10.9,3.26,;9.52,4.08,;5.52,6.39,;4.11,5.76,;3.08,6.91,;3.85,8.24,;5.36,7.92,)|
BDBM65798 O=C(N1CCC(C1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM65800 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc2OCOc2c1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
BDBM65801 CC(=O)Oc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
BDBM65802 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(F)cc1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
BDBM65803 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
BDBM65804 [H]C12CCC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(OC(C)=O)cc1 |c:6,TLB:10:9:3.2:7.6,THB:13:8:3.2:7.6|
BDBM65806 Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:22,TLB:8:10:16:19.20,THB:12:11:16:19.20|
BDBM65807 CCCOc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:23.22,THB:11:13:19:23.22|
BDBM65808 Cc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:22,TLB:12:11:16:19.20,THB:8:10:16:19.20|
BDBM65810 [H]C12OC([H])(C=C1)c1c(O)n(c(O)c21)-c1ccc(OC(C)=O)cc1 |c:5,TLB:11:13:2:6.5,THB:8:7:2:6.5|
BDBM65811 CCN(CC)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71548 CN(CCc1ccccc1)C(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71549 O=C(N1CCC(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM71550 Clc1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM71551 O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM71552 CC(C)(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71553 CN(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71554 OCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71555 CC(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71556 OCC1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71557 O=C(NCCN1CCCCC1)c1cc(nc2ccccc12)-c1ccco1
BDBM71558 O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccco1
BDBM71559 CN1CCCC1CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71560 CC(C)(C)c1ccc(CNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM71561 O=C(N1CCC(CC1)N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
BDBM71562 COc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM71563 O=C(Nc1ncc(o1)-c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM71564 O=C(Nc1ncc(s1)-c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
BDBM71565 O=C(N1CCc2cccnc12)c1cc(nc2ccccc12)-c1ccco1
BDBM71566 O=C(NC1CCc2ccccc2C1)c1cc(nc2ccccc12)-c1ccco1
BDBM50000778 COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |w:2.2,c:13,t:10|