ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23738 | COC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c15cn6c2ccccc12.N14C(C)CCCC1C.C6C4=O.C35=O.CO3 |
23739 | COC(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15cn6c2ccccc12.N14CCC(C)CC1.C6C4=O.C35=O.CO3 |
23740 | COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c16cn7c2ccccc12.C15CCCCC1.C7C4=O.C36=O.CO3.N45 |
23741 | COC(=O)c1cn(CC(=O)NC2CCCCCC2)c2ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c16cn7c2ccccc12.C15CCCCCC1.C7C4=O.C36=O.CO3.N45 |
23742 | CS(=O)(=O)N(CC(=O)N1CCCC1)Cc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.N12CCCC1.CS5(=O)=O.C3C2=O.N345.C46 |
23743 | CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCCCC1.c16ccccc1.CS5(=O)=O.C3C2=O.N345.C46 |
23744 | CC1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring2][Ring1][Branch1] | CC1CCN3CC1.c17ccccc1.C3(=O)C4.S6(C)(=O)=O.N456.C57 |
23746 | CCNC(=O)COc1ccc(Br)cc1C | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C] | c14ccc(Br)cc1C.C2(=O)C3.CC5.N25.O34 |
23747 | Cc1cc(Br)ccc1OCC(=O)NC(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | Cc1cc(Br)ccc14.C3C2=O.C5(C)C.O34.N25 |
23748 | Cc1cc(Br)ccc1OCC(=O)NCC(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | Cc1cc(Br)ccc14.C3C2=O.C5C(C)C.O34.N25 |
23749 | CCC(C)NC(=O)COc1ccc(Br)cc1C | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C] | c14ccc(Br)cc1C.CCC5C.C2(=O)C3.N25.O34 |
23750 | Cc1cccc(OCC(=O)NCc2ccc(F)cc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c17ccc(F)cc1.C4C3=O.O45.N36.C67 |
23751 | Cc1cccc(OCC(=O)NCc2ccccn2)c1C | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | Cc1cccc5c1C.c17ccccn1.C4C3=O.O45.N36.C67 |
23752 | Cc1cc(OCC(=O)NC(C)C)cc(C)c1Br | [C][C][=C][C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][#C][Br] | Cc1cc4cc(C)c1Br.C3C2=O.C5(C)C.O34.N25 |
23753 | COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.C17CCCC1.C5C3=O.N56C.CO4.N37 |
23754 | COc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCCO2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S7(=O)=O)cc1.C18CCCO1.C5C3=O.N57C.CO4.N36.C68 |
23755 | CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N] | CC1CCCCC15.c16nnc7n1N.c17ccccc1.C3(=O)C4.N35.S46 |
23756 | COC(=O)CN(c1cccc(F)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(F)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
23757 | CN(c1ccc(C(=O)N2CCCCC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc6cc1.N13CCCCC1.S4(C)(=O)=O.CN45.C36=O |
23759 | CN(Cc1ccccc1)C(=O)c1ccc(N(C)S(C)(=O)=O)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | c16ccc5cc1.c17ccccc1.S4(C)(=O)=O.CN23.C26=O.N45C.C37 |
23761 | CN(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.c16ccccc1.C3(=O)C5.CN34.C46 |
23762 | Cc1ccc(SCCC(=O)N2CCCCC2)cc1 | [C][C][=C][C][=C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.N13CCCCC1.C4CC3=O.S45 |
23763 | COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C] | c12ccc(S4(=O)=O)cc1C.C3(C)(C)C.CO2.N34 |
23764 | CCNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N] | c16ccc5cc1.S4(C)(=O)=O.C26=O.N45C.CC3.N23 |
23765 | Cc1ccc(SC(C)C(=O)NC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S] | Cc1ccc5cc1.C4(C)C2=O.C3(C)(C)C.S45.N23 |
23766 | CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1cccc(F)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c16ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
23767 | CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl] | S3(=O)(=O)c1ccc2c(Cl)c1Cl.CN3.O2C |
23768 | CCNC(=O)COc1ccc(CC)cc1Br | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][Br] | c14ccc6cc1Br.C2(=O)C3.CC5.N25.O34.C6C |
23770 | Cc1cccc(OCc2nc(-c3ccncc3)no2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c16nc7no1.c17ccncc1.O45.C46 |
23771 | Cc1ccc(-c2nnc(SCC(N)=O)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][N][C][=C][Ring1][P] | Cc1ccc5cc1.c15nnc4n1N.C3C(N)=O.S34 |
23772 | CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n13c4nnc15.c15ccc(Cl)cc1.C2C(N)=O.CC3.S24 |
23773 | O=C(NCc1cccs1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(Cl)cc1.c16cccs1.O=C35.N34.C46 |
23774 | O=C(NCc1cccs1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(F)cc1.c16cccs1.O=C35.N34.C46 |
23775 | Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17cccs1.C46=O.N45.C57 |
23776 | O=C(NCc1cccs1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.c17ccccc1.c16cccs1.O=C35.N34.C46 |
23777 | COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | S6(=O)(=O)c1ccc4c(C)c1.c13ccc7cc1.C7C5.CO3.N56.O4C |
23778 | Cc1ccc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2c(c1)OCCO2.Cc1ccc7cc1.C5(C)C4=O.S57.N46 |
23779 | CN(c1ccc(C(=O)NC2CCCCCC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.C16CCCCCC1.S4(C)(=O)=O.CN45.C37=O.N36 |
23780 | CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.c16ccc(F)cc1.CC3.O34.N56 |
23781 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | S7(=O)(=O)c1ccc6cc1.C18CCN7CC1.C38=O.CC4.O34.O56.C5C |
23782 | O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccco1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | O=C4CN1C(=O)c2cccc3cccc1c23.c16ccco1.N45.C56 |
23783 | COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc7cc1.C7C#N.CO3.N56.O4C |
23785 | CN(c1ccc(C(=O)NC2CC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.S4(C)(=O)=O.CN45.C37=O.C16CC1.N36 |
23786 | COc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc17.C7(C)C.CO3.N56.O4C |
23787 | Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.N13CCC5CC1.C4CC3=O.C5(N)=O.S46 |
23790 | CN(c1ccccc1C(=O)NC(C)(C)C)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc16.C3(C)(C)C.S4(C)(=O)=O.CN45.C26=O.N23 |
23791 | CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c14ccc(S6(=O)=O)cc1.c17ccccc1Cl.CC3.O34.N56.C57 |
23792 | COc1ccccc1Cc1nc(-c2ccncc2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c13ccccc15.c14nc6no1.c16ccncc1.CO3.C45 |
23793 | CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc6cc1.N13CCCCCC1.S4(C)(=O)=O.CN45.C36=O |
23794 | CC(C)C(NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C(C)C | [C][C][Branch1][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C][Branch1][C][C][C] | CC(C)C3C(C)C.c16ccc5cc1.S4(C)(=O)=O.C26=O.N45C.N23 |
23795 | CCOc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc(S5(=O)=O)cc1.c16ccc7cc1.C7C#N.CC3.O34.N56 |
23796 | O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC1CC2CCC1C2 | [O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] | N15C(=O)c2ccccc2S1(=O)=O.C14CC2CCC1C2.O=C3C5.N34 |
23797 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc5c(C)c1.C17CCN6CC1.C37=O.CC4.O34.O5C |
23798 | Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccccc17.C4C(C)C.C37=O.N56.N34 |
23800 | COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][P] | c12ccc(S4(=O)=O)cc1.C3(C(C)C)C(C)C.CO2.N34 |
23802 | CS(=O)(=O)N(CC(=O)NC1CC1)C1CCCCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1] | C15CCCCC1.CS4(=O)=O.C3C2=O.N345.C16CC1.N26 |
23803 | Cc1ccc(CNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.C17CCCCC1.C3(=O)C5.S6(C)(=O)=O.N567.C48.N34 |
23804 | Cc1ccccc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.C16CCCCC1.C2(=O)C3.S4(C)(=O)=O.N346.N25 |
23805 | Cc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | Cc1cccc6c1.C17CCCCC1.C3(=O)C4.S5(C)(=O)=O.N457.N36 |
23806 | Cc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.C16CCCCC1.C2(=O)C3.S4(C)(=O)=O.N346.N25 |
23808 | Cc1cccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | Cc1cccc7c1.c18ccccc1.C3(=O)C4.S6(C)(=O)=O.N456.C5C8.N37 |
23809 | Cc1ccc(NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c18ccccc1.C3(=O)C4.S6(C)(=O)=O.N456.C5C8.N37 |
23810 | Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1 | [C][N][C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][O][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c6nnc18.c15ccccc1.c17cccs1.C4C3=O.C67.S48.N35 |
23812 | Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.c16nc7no1.c17ccccc1.N45C.C46 |
23813 | Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccncc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.c16nc7no1.c17ccncc1.N45C.C46 |
23814 | Cc1nnc(SCC(=O)NC(C)(C)C)n1C1CCCCC1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nnc6n15.C15CCCCC1.C4C2=O.C3(C)(C)C.S46.N23 |
23815 | C=CCN(c1ccc(C(=O)NC(C)C)cc1)S(C)(=O)=O | [C][=C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.S5(C)(=O)=O.C=CC3.N356.C27=O.C4(C)C.N24 |
23816 | CN(Cc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] | c16ccc5cc1.c17ccccc1.S4(C)(=O)=O.CN23.C26=O.C37.N45 |
23817 | CN(Cc1ccccc1)C(=O)c1ccccc1NS(C)(=O)=O | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.c17ccccc1.S4(C)(=O)=O.CN23.C26=O.C37.N45 |
23818 | O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CC1 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1] | c15cc8ccc16.N14CCCC1.N16CCCC1.O=C37.C48=O.C17CC1.N35 |
23819 | COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c13ccc(C)cc1S5(=O)=O.C4C2=O.N45C.C16CC1.CO3.N26 |
23822 | CCc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc14.c16ccccc15.S3(C)(=O)=O.C26=O.CC7.N24.N35 |
23823 | COC(=O)c1ccc2ccn(CC(=O)NC3CCCCC3)c2c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c17ccc2ccn8c2c1.C16CCCCC1.C8C5=O.C47=O.CO4.N56 |
23825 | COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][N][=C][Ring1][S] | c16ccc2ccn7c2c1.C7C4=O.C36=O.C5(C)C.CO3.N45 |
23826 | COc1ccc(CCNc2nc3nc(C)c(C)nc3n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][O][C] | c17nc2nc(C)c(C)nc2n1C.c14ccc8cc15.C8C6.CO4.N67.O5C |
23827 | O=c1oc(NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12 | [O][=C][O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=c1oc4nc2ccccc12.S3(=O)(=O)c1ccc(Cl)cc1.N34 |
23828 | Cc1ccc(S(=O)(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S3(=O)=O)cc1.c14nc(C#N)c(C#N)[nH]1.N34 |
23830 | CCOC(=O)Nc1cccc2c1C(=O)c1ccccc1-2 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c16cccc2c1C(=O)c1ccccc1-2.C34=O.CC5.O35.N46 |
23833 | COc1cccc2cc3c(=O)oc4ccccc4c3nc12 | [C][O][C][=C][C][=C][C][=C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring2][Ring1][Ring1][Ring1][#C] | c15cccc2cc3c(=O)oc4ccccc4c3nc12.CO5 |
23834 | COc1ccc2nc3c(cc2c1)c(=O)oc1ccccc13 | [C][O][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c14ccc2nc3c(cc2c1)c(=O)oc1ccccc13.CO4 |
23835 | Cc1sc2nc(SCC(N)=O)n(-c3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] | Cc1sc2nc6n5c(=O)c2c1C.c15ccccc1.C4C(N)=O.S46 |
23837 | Cc1cc(C)nc(Sc2ncnc3sc4c(c23)CCC4)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c16ncnc2sc3c(c12)CCC3.Cc1cc(C)nc5n1.S56 |
23838 | Cc1cc(C)nc(Sc2ncnc3sc(C)c(C)c23)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch1][S][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c15ncnc2sc(C)c(C)c12.Cc1cc(C)nc4n1.S45 |
23839 | O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ncnc2sc3c(c12)CCC3.c16ccccc1.O=C4C5.S57.N46 |
23841 | COc1ccccc1Nc1nc(N)c2ccccc2n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O] | c14nc(N)c2ccccc2n1.c13ccccc15.CO3.N45 |
23842 | Nc1nc(Nc2ccc(O)cc2)nc2ccccc12 | [N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Nc1nc3nc2ccccc12.c14ccc(O)cc1.N34 |
23843 | CCc1cc2c(NCC3CCCO3)nc(C)nc2s1 | [C][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][Branch1][C][C][N][=C][Ring1][=C][S][Ring1][P] | c17cc2c5nc(C)nc2s1.C16CCCO1.CC7.N45.C46 |
23844 | Cc1nc(NCC2CCCO2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1nc4c2c(C)c(C)sc2n1.C15CCCO1.N34.C35 |
23845 | c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15nn2c6nnc2s1.c1ccc5cc1.c16ccncc1 |
23846 | Fc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c14nn2c5nnc2s1.Fc1ccccc14.c15ccncc1 |
23847 | c1csc(-c2nn3c(-c4ccncc4)nnc3s2)c1 | [C][=C][S][C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][=C][Ring2][Ring1][Ring1] | c15nn2c6nnc2s1.c16ccncc1.c1csc5c1 |
23848 | c1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15nnc2sc7nn12.c1ccc6cc1.c17ccco1.C56 |
23849 | c1ccc(Cc2nnc3sc(-c4ccccn4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15nnc2sc7nn12.c1ccc6cc1.c17ccccn1.C56 |
23850 | c1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15nnc2sc7nn12.c1ccc6cc1.c17cccnc1.C56 |
23852 | c1ccc(OCc2nnc3sc(-c4cnccn4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c17nnc2sc8nn12.c1ccc6cc1.c18cnccn1.O56.C57 |
23853 | O=C(Cn1nnc2ccccc21)NCCc1ccccc1 | [O][=C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc2ccccc21.c16ccccc1.O=C3C5.C4C6.N34 |
23854 | c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2sc5nn12.c1ccc6cc1.c15ccccn1 |
23855 | c1ccc(-c2nnc3sc(-c4cnccn4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2sc5nn12.c1ccc6cc1.c15cnccn1 |
23856 | c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccncc3)nn12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O] | c1ccc2c(c1)nnn24.c15nnc2sc6nn12.c16ccncc1.C45 |
23857 | c1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][C][=N][N][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] | c17nn2c8nnc2s1.n16cnc2ccccc21.c1ccc9cc1.C79.C68 |
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