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404 SMILES Strings for Adrenergic receptor alpha

Compound NameSMILES String
BDBM7287 O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
BDBM13014 Clc1ccc2CCNCc2c1Cl
BDBM13017 NS(=O)(=O)c1ccc2CCNCc2c1
BDBM13022 NS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13024 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM13026 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM13028 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
BDBM13030 CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM13031 CCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM14060 Ic1ccc2CCNCc2c1
BDBM14061 Clc1ccc2CCCNCc2c1Cl
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM28583 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM30993 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM81444 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
BDBM81772 COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1
BDBM81773 CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM84950 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM84951 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM85672 O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85825 CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM86691 CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
BDBM86692 CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
BDBM86693 CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010686 Oc1cc2CC[C@H]3NCc4ccccc4[C@@H]3c2cc1O
BDBM50014154 Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50019355 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
BDBM50019492 COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50020168 COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
BDBM50020192 O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50027326 Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
BDBM50027331 Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50027226 CN1CCN2C(C1)c1ccsc1Cc1ccccc21
BDBM50027227 CN1CCN2C(C1)c1sccc1Cc1ccccc21
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50000200 CCN(CC)C(=O)c1ccccc1OCC1=NCCN1 |t:16|
BDBM50030622 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|
BDBM50030623 [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
BDBM50001824 [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
BDBM50045875 O=C1Cc2c([nH]c3cccc(N1)c23)-c1ccccc1
BDBM50045876 CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045877 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045878 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccccc1
BDBM50045879 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Br)cc1
BDBM50045880 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045881 Fc1ccc(cc1)-c1[nH]c2ccccc2c1CC(=O)Nc1ccccc1Br
BDBM50045882 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045883 CCCCCCN(CCCCCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
BDBM50045884 CCCCCCCCCCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045885 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccs1
BDBM50045886 CCCN(CCC)C(=O)\C=C\c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045887 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045888 CCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045889 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1cccs1
BDBM50045890 CCCCCCN(CCCCCC)CCc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045891 CCCN(CCC)C(=O)C(C)c1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045892 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(F)cc1
BDBM50045893 CCCCCCCCN(CCCCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045894 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045895 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1cccc(Cl)c1
BDBM50045896 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
BDBM50045854 C(C1=NCCN1)c1c([nH]c2ccccc12)-c1ccccc1 |t:1|
BDBM50045855 CCCN(CCC)C(=O)Cc1c2-c3ccccc3CCCn2c2ccccc12
BDBM50045856 CCCN(CCC)C(=O)Cc1cn(Cc2ccc(Br)cc2)c2ccccc12
BDBM50045857 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045858 CCN(CC)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045859 CCCCCCN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045860 CCCCCCCCCCNC(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045861 CCCN(CCC)C(=O)Cc1c2-c3ccccc3Cn2c2ccccc12
BDBM50045862 O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCC1
BDBM50045863 CCCCCN(CCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045864 CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)n(C)c2ccccc12
BDBM50045865 O=C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1
BDBM50045866 CN(C)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
BDBM50045867 CCCCN(CCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045868 CCCN(CCC)C(=O)Cc1c([nH]c2cc(F)ccc12)-c1ccccc1
BDBM50045869 CN(C)C(=O)Cc1c([nH]c2ccccc12)-c1ccccc1
BDBM50045870 CCCN(CCC)C(=O)Cc1c([nH]c2ccc(C)cc12)-c1ccc(C)cc1
BDBM50045871 CCCN(CCC)C(=O)Cc1c([nH]c2c(F)cccc12)-c1ccccc1
BDBM50045872 CCCCCCN(CCCCCC)C(=S)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1
BDBM50045873 CCCN(CCC)C(=O)CCc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
BDBM50045874 CCCN(CCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(I)cc1
BDBM50050467 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
BDBM50052880 [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50057128 COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
BDBM50058225 Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
BDBM50057837 Oc1cc2CC[C@@H]3NCc4ccsc4[C@H]3c2cc1O
BDBM50070514 Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
BDBM50070518 Cc1ccc(cc1C)N1CCN(CC[C@H]2NC(=O)c3ccccc23)CC1
BDBM50079939 COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
BDBM50081954 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50081955 FC[C@@H]1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50081824 CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081826 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
BDBM50081828 CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081817 CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50081818 CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
BDBM50081819 CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
BDBM50081821 CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
BDBM50081823 CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50080797 O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1
BDBM50084996 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
BDBM50087153 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087154 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087145 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087146 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087147 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087148 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087149 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087150 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087151 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50087152 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50085676 Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
BDBM50085677 Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
BDBM50085678 C1CC(c2cnc[nH]2)c2ccsc2C1
BDBM50085679 C1CC(c2cnc[nH]2)c2sccc2C1
BDBM50085680 C1Cc2sccc2C(=C1)c1cnc[nH]1 |c:8|
BDBM50085681 c1cc2c(cccc2s1)-c1c[nH]cn1
BDBM50085682 C1Cc2ccsc2C(=C1)c1cnc[nH]1 |c:8|
BDBM50085683 C[C@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50090326 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090328 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090330 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090332 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
BDBM50090333 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090335 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
BDBM50090338 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
BDBM50090339 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
BDBM50090305 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
BDBM50219200 CS(=O)(=O)Oc1ccc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)Cc2c1 |wU:16.19,wD:13.12,(-.65,-16.53,;-.63,-15,;-2.01,-14.31,;-.33,-13.47,;.91,-14.92,;2.24,-14.15,;2.24,-12.6,;3.57,-11.83,;4.9,-12.58,;6.37,-12.09,;7.29,-13.35,;8.62,-12.58,;9.96,-13.35,;11.29,-12.56,;12.62,-13.33,;13.94,-12.56,;13.94,-11.02,;12.62,-10.25,;11.29,-11.02,;15.28,-10.27,;16.61,-11.04,;16.61,-12.58,;17.94,-10.27,;19.27,-11.04,;20.6,-10.27,;21.93,-11.04,;23.27,-10.27,;23.27,-8.73,;24.36,-7.64,;21.93,-7.96,;20.6,-8.73,;6.39,-14.61,;4.91,-14.14,;3.58,-14.92,)|
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50119377 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50119380 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50130286 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
BDBM50130297 CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
BDBM50130270 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50131920 COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc34)C2=O)CC1
BDBM50131921 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1
BDBM50131922 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50131923 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c(Cl)c1
BDBM50131925 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
BDBM50131926 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50131930 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
BDBM50131357 Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
BDBM50131359 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131360 C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|
BDBM50131361 COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131362 COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|
BDBM50131363 COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|
BDBM50131364 COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|
BDBM50131365 COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131366 COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131367 COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131368 COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|
BDBM50131346 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131347 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131348 COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|
BDBM50131350 COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|
BDBM50131351 COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131352 COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|
BDBM50131353 COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
BDBM50131354 COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
BDBM50131355 COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
BDBM50131356 COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|
BDBM50136494 Brc1cccc2c3CCNCc3[nH]c12
BDBM50151341 COCCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
BDBM50151343 FCC1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
BDBM50160146 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50160152 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50160161 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
BDBM50163104 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
BDBM50163106 COCCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163105 CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163108 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
BDBM50163107 CCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163109 NS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1
BDBM50163110 FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1
BDBM50187381 COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
BDBM50201046 Cc1noc2c(nn(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c12)-c1ccccc1
BDBM50240797 CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
BDBM50258431 ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
BDBM50258495 N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
BDBM50258462 N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
BDBM50289986 COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
BDBM50287720 CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12
BDBM50308002 Clc1ccc(cc1)-n1cc(CN2CCN(CC2)c2ccccc2)cn1
BDBM50299660 Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
BDBM50299661 Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
BDBM50299662 Fc1ccc2c(c1)nc(N1CCN(Cc3ncc[nH]3)CC1)c1cccn21
BDBM50366618 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
BDBM50370569 C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50224298 CC(C)NCC(O)c1cc(O)c(O)cc1F
BDBM50224297 CC(C)NCC(O)c1cc(O)c(O)c(F)c1
BDBM50403737 Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
BDBM50403738 Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403739 Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403740 Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403741 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1
BDBM50403742 Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403743 COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
BDBM50403744 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403745 COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403746 Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
BDBM50403747 Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403748 Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403749 Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1
BDBM50403750 Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403751 O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
BDBM50403752 Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
BDBM50403753 Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403754 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
BDBM50403755 Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50224296 CC(C)NCC(O)c1ccc(O)c(O)c1F
BDBM50222134 COc1cc(CC2(NCCc3cc(O)c(O)cc23)C(O)=O)ccc1O
BDBM50222135 COc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1O
BDBM50222193 [H][C@@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
BDBM50222198 [H][C@]1(Cc2ccc(OC)c(O)c2)NCCc2cc(OC)c(O)cc12
BDBM50222200 OC(=O)C1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
BDBM50222194 [H][C@@]1(Cc2ccc(O)c(O)c2)NCCc2cc(O)c(O)cc12
BDBM50222196 COc1ccc(CC2NCCc3cc(OC)c(O)cc23)cc1O
BDBM50421592 C(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421596 Cc1ncoc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421597 C(Nc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
BDBM50421598 C(Nc1ccccc1-c1cnco1)C1=NCCN1 |t:15|
BDBM50421599 C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15|
BDBM50421600 C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
BDBM50421601 C(Nc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421602 CO\N=C\c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421640 Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421641 C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
BDBM50421512 CNC(=O)c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421513 CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421514 O=C(NC1CC1)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421515 CCCCNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421516 CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421517 CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421506 CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
BDBM50421575 CSc1ccccc1NCc1cnc[nH]1
BDBM50421576 CCCNC(=O)c1ccccc1NCc1cnc[nH]1
BDBM50421577 CCCNC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421578 C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50421579 C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1
BDBM50421580 CSc1ccccc1NCC1=NCCN1 |t:11|
BDBM50429260 Oc1ccc(cc1)N1CCN(Cc2cnn(c2)-c2ccc(Cl)cc2)CC1
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50219167 CCO\N=C(/C)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50219079 CC\C(=N/OC)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50219256 FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1 |t:20|
BDBM50219300 CO\N=C(/C)c1ccccc1NCC1=NCCN1 |t:14|
BDBM50218603 Oc1ccc2cccc(NCc3c[nH]cn3)c2c1
BDBM50213345 CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|
BDBM50213346 Brc1c(NC2=NCCO2)ccc2nccnc12 |t:4|
BDBM50213347 Ic1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM50213348 Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM50218602 C(Nc1ccccc1-c1cnco1)c1c[nH]cn1
BDBM50218601 Oc1ccc2cccc(NCC3=NCCN3)c2c1 |t:11|
BDBM50218568 COc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:9|
BDBM50218569 CCN(CC)C(=O)c1ccccc1OCc1c[nH]cn1
BDBM50218596 C(Oc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
BDBM50218597 C(Oc1ccccc1-c1ccno1)c1c[nH]cn1
BDBM50218598 CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1
BDBM50218600 C(Nc1ccccc1N1CCCCC1)c1c[nH]cn1
BDBM50218594 CS(=O)(=O)c1ccccc1NCc1c[nH]cn1
BDBM50218570 C(Nc1ccccc1N1CCCCC1)C1=NCCN1 |t:16|
BDBM50218593 CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
BDBM50213350 Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|
BDBM50213351 Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
BDBM50213028 Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
BDBM50213029 C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
BDBM50213343 Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
BDBM50213349 [H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
BDBM50213344 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
BDBM50220782 CCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50071684 CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1
BDBM50218551 C[C@@H]1OC(=O)N([C@@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50220783 CN(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50220784 Cc1c[nH]c(=O)n(CC(C)(C)CN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
BDBM50220785 Cc1c[nH]c(=O)n(CCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50219129 CCC(C)NC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219130 CC(C)COC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219131 CCNC(=O)c1ccccc1NCC1=NCCN1 |t:14|
BDBM50219134 O=C(N1CCCCC1)c1ccccc1NCC1=NCCN1 |t:18|
BDBM50219136 CCCCOC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219150 CC(C)NC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50219151 O=C(N1CCCC1)c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219168 Cc1noc(n1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50220748 Fc1ccc(N2CCN(CCCN3C(=O)CCNC3=O)CC2)c(OCC(F)(F)F)c1
BDBM50220747 FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM50219152 CCC(CC)OC(=O)c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219153 COC(=O)c1ccccc1NCC1=NCCN1 |t:13|
BDBM50219156 CCC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219157 CCOC(=O)c1ccccc1NCC1=NCCN1 |t:14|
BDBM50219158 O=C(NC1CCCC1)c1ccccc1NCC1=NCCN1 |t:18|
BDBM50219159 CC(C)CNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219160 O=C(NC1CCC1)c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219162 O=C(OC1CCCCC1)c1ccccc1NCC1=NCCN1 |t:19|
BDBM50219135 CC(C)(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219154 CN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:14|
BDBM50219155 CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219161 O=C(OC1CCCC1)c1ccccc1NCC1=NCCN1 |t:18|
BDBM50220750 Cc1c[nH]c(=O)n(CCCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50220749 Cc1cn(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)[nH]c1=O
BDBM50220742 CC(C)c1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50219439 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
BDBM50222195 COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
BDBM50222197 COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O
BDBM50220744 Cc1n[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
BDBM50220743 [H][C@@]1(O)NC(=O)N(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)C(=O)[C@]1(C)O
BDBM50220779 Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(Cl)c3=O)CC2)c(OCC(F)(F)F)c1
BDBM50220773 Cc1cc(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c(=O)[nH]1
BDBM50222199 Oc1cc(Br)c(CC2NCCc3cc(O)c(O)cc23)cc1O
BDBM50220781 OCc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50220780 Fc1ccc(N2CCN(CCCn3c(=O)cc[nH]c3=O)CC2)c(OCC(F)(F)F)c1
BDBM50220745 FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]cc(c2=O)C(F)(F)F)CC1
BDBM50220746 Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
BDBM50220786 Cc1c[nH]c(=O)n(CC2(CN3CCN(CC3)c3ccccc3OCC(F)(F)F)CC2)c1=O
BDBM50220787 COc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50220788 Fc1ccc(N2CCN(CCCn3c(=O)[nH]cc(F)c3=O)CC2)c(OCC(F)(F)F)c1
BDBM50217825 O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
BDBM50217833 O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1cc2ccccc2[nH]1)c1ccc2cc[nH]c2c1
BDBM50217835 Fc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
BDBM50223423 NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50223424 CC(C)NCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50219022 Cc1cc(on1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219080 Cc1ccsc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219164 Nc1nccc(n1)-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219165 C(Nc1ccccc1-c1cccs1)C1=NCCN1 |t:15|
BDBM50219166 Cc1cccnc1-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50219169 C(Nc1ccccc1-c1ccco1)C1=NCCN1 |t:15|
BDBM50219170 Cc1ccc(s1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219171 C(Nc1ccccc1-c1cnoc1)C1=NCCN1 |t:15|
BDBM50219172 Cc1nc(co1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219255 Cc1nc(cs1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219258 Cc1nc(no1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50217828 Fc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
BDBM50217829 Oc1nc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
BDBM50217831 O=S(=O)(N1CCC[C@@H]1CCN1CCC(CC1)c1c[nH]c2ccccc12)c1ccc2cc[nH]c2c1 |r|
BDBM50217832 Clc1ccc(cc1)C(=O)C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1
BDBM50219296 CC\C(=N\OC)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50219297 C(Nc1ccccc1-c1cnccn1)C1=NCCN1 |t:16|
BDBM50219298 Cc1ccc(o1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50219299 Cc1ncc(o1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50222926 FC(F)(F)Cn1ncnc1-c1ccccc1NCC1=NCCN1 |t:20|
BDBM50222927 Cc1n[nH]c(n1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50223422 CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O
BDBM50231569 Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
BDBM50222903 CCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:18|
BDBM50222904 CCn1ccc(n1)-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50222905 Cn1ncnc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50222906 FC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:20|
BDBM50222907 Cn1ccc(n1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50222910 C(Nc1ccccc1-c1nc[nH]n1)C1=NCCN1 |t:15|
BDBM50222911 CCCCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:19|
BDBM50222923 CCn1nccc1-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50222924 Cc1nc(-c2ccccc2NCC2=NCCN2)n(C)n1 |t:13|
BDBM50222925 CC(C)n1nccc1-c1ccccc1NCC1=NCCN1 |t:18|
BDBM50222928 Cn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50222929 CCn1cccc1-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50222930 CC(C)n1ncnc1-c1ccccc1NCC1=NCCN1 |t:18|
BDBM50222931 Cc1ccc(-c2ccccc2NCC2=NCCN2)n1C |t:14|
BDBM50222933 CCCn1nccc1-c1ccccc1NCC1=NCCN1 |t:18|
BDBM50222934 Cn1cccc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50222935 C(Nc1ccccc1-c1cn[nH]c1)C1=NCCN1 |t:15|
BDBM50225364 C(CCCNCc1ccc[nH]1)CCNCCSSCCNCCCCCCNCc1ccc[nH]1
BDBM50222908 CCn1ncnc1-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50222909 CCn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:17|
BDBM50222932 Cn1ccnc1-c1ccccc1NCC1=NCCN1 |t:16|