ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27617 | CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccnc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | n16c7nnc18.C15CCCCC1.c18cccnc1.C4C3=O.CC6.S47.N35 |
27618 | CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C] | c16nnc7n1C.c17cccnc1.C3(=O)C5.CC4C.O34.S56 |
27619 | CCn1c(SCC(=O)OC(C)C)nnc1-c1cccnc1 | [C][C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c6nnc17.c17cccnc1.C4C2=O.C3(C)C.CC5.S46.O23 |
27620 | Cc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc7c1.c17nnc6n1C.N14CCCCC1.C5C4=O.S56 |
27621 | Cc1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | Cc1cccc9c1.c19nnc8n1C.c17ccco1.C6C4=O.S68.N45.C57 |
27622 | Cc1nnc(SCC(=O)N2CCCCC2)n1CCc1ccccc1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n15.N13CCCCC1.c16ccccc1.C4C3=O.C5C6.S47 |
27624 | COc1ccc(-c2nnnn2-c2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c13ccc6cc1.c15ccccc14.c16nnnn15.CO3.O4C |
27625 | CSc1nnc(CNc2ccc(C)cc2C)n1CC1CCCO1 | [C][S][C][=N][N][=C][Branch1][#C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][Ring1][#C][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(C)cc1C.c18nnc7n15.C16CCCO1.CS8.C37.N34.C56 |
27627 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1cccnc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c7nnc18.c18cccnc1.c16ccco1.C5C3=O.S57.N34.C46 |
27628 | CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cccnc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1.c17cccnc1.C4C3=O.CC5.S46 |
27631 | COc1ccccc1NC(=O)CSc1nncn1-c1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccccc15.c17nncn16.c16cccnc1.C2(=O)C4.CO3.N25.S47 |
27633 | O=C(CSc1nncn1-c1cccnc1)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c16nncn15.c15cccnc1.O=C2C3.S36.N24 |
27634 | O=C(CSc1nncn1-c1cccnc1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nncn14.c14cccnc1.N12CCOCC1.O=C2C3.S35 |
27635 | Cc1cccc(NC(=O)CSc2nncn2-c2cccnc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc5c1C.c17nncn16.c16cccnc1.C3(=O)C4.N35.S47 |
27636 | O=C(CSc1nncn1-c1cccnc1)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nncn15.c15cccnc1.C14CCCCC1.O=C2C3.S36.N24 |
27637 | O=C(CSc1nncn1-c1cccnc1)N1CCCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15nncn14.c14cccnc1.N12CCCCC1.O=C2C3.S35 |
27639 | CCc1ccc(NC(=O)CSc2nncn2-c2cccnc2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c16ccc5cc1.c18nncn17.c17cccnc1.C3(=O)C4.CC6.N35.S48 |
27640 | COc1ccc(-c2nnc(SCC(N)=O)n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring1][P][O][C] | c13ccc7cc14.c17nnc6n1C.C5C(N)=O.CO3.S56.O4C |
27641 | O=S(=O)(NCc1ccco1)c1cc(C(F)(F)F)ccc1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | O=S3(=O)c1cc5ccc1Cl.c14ccco1.C5(F)(F)F.N23.C24 |
27642 | Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc8c(C)cc2c1.c17ccco1.C6C4=O.S68.N45.C57 |
27643 | COC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c17nnc8n15.c18ccc(O)cc1.c16ccco1.C3(=O)C4.CO3.S47.C56 |
27644 | Cc1ccc(NC(=O)C(C)Sc2nc(N)cc(N)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5c(C)c1.c16nc(N)cc(N)n1.C3(=O)C4C.N35.S46 |
27646 | CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][P][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][=C][Ring2][Ring1][C][N] | C18CCc2ccccc2C1=O.c16cnc7nc1N.C46=O.CC5.O45.S78 |
27647 | Cc1nnc(SCC(N)=O)n1CC1CCCO1 | [C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1] | Cc1nnc5n13.C14CCCO1.C2C(N)=O.S25.C34 |
27648 | Cc1nnc(SCc2ccccc2)n1CC1CCCO1 | [C][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][C][C][C][O][Ring1][Branch1] | Cc1nnc7n14.c16ccccc1.C15CCCO1.S37.C36.C45 |
27649 | Cc1nnc(SCc2ccccc2Cl)n1CC1CCCO1 | [C][C][=N][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][=C][C][C][C][C][C][O][Ring1][Branch1] | Cc1nnc7n14.c16ccccc1Cl.C15CCCO1.S37.C36.C45 |
27650 | Cc1nnc(SCc2ccc(Cl)cc2)n1CC1CCCO1 | [C][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][C][C][C][O][Ring1][Branch1] | Cc1nnc7n14.c16ccc(Cl)cc1.C15CCCO1.S37.C36.C45 |
27651 | Cc1ccc(NC(=O)CSc2nnc(C)n2CC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c18nnc(C)n16.C17CCCO1.C3(=O)C4.N35.S48.C67 |
27652 | CCn1c(SCC(N)=O)nc2ccccc2c1=O | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n14c5nc2ccccc2c1=O.C3C(N)=O.CC4.S35 |
27653 | CCn1c(SCC(=O)N2CCOCC2)nc2ccccc2c1=O | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n15c6nc2ccccc2c1=O.N13CCOCC1.C4C3=O.CC5.S46 |
27654 | CCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | n16c8nc2ccccc2c1=O.c17ccco1.C5C3=O.CC6.S58.N34.C47 |
27655 | COC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c17nc2ccccc2c(=O)n15.c16ccco1.C3(=O)C4.CO3.S47.C56 |
27656 | NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c16nc2ccccc2c(=O)n14.c15ccco1.NC(=O)C3.S36.C45 |
27657 | Nc1cc(N)nc(SCC(=O)c2ccc(Cl)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Nc1cc(N)nc5n1.c14ccc(Cl)cc1.C3C4=O.S35 |
27658 | Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc5cc1C.c16nc(N)cc(N)n1.C3(=O)C4.N35.S46 |
27662 | Cc1ccc2cc(C)c(SCC(=O)NCc3ccco3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc(C)c8nc2c1.c17ccco1.C6C4=O.S68.N45.C57 |
27663 | CC(C)C1NC(=O)c2c(sc3c2CCCC3)N1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Ring1][=C] | C14NC(=O)c2c(sc3c2CCCC3)N1.CC4C |
27664 | CCOC(=O)C(CC)Sc1nc(N)cc(N)n1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c15nc(N)cc(N)n1.C2(=O)C4CC.CC3.O23.S45 |
27665 | COc1ccc(-n2nnnc2SCC(N)=O)cc1 | [C][O][C][=C][C][=C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][S] | c13ccc5cc1.n15nnnc16.C4C(N)=O.CO3.S46 |
27666 | COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc7cc1.n17nnnc18.c16ccccc1.C5C3=O.CO4.S58.N36 |
27667 | COc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc6cc1.n16nnnc17.c15ccccc1.C4C5=O.CO3.S47 |
27668 | COc1ccc(-n2nnnc2SCC(=O)c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc6cc1.c15ccc(C)cc1.n16nnnc17.C4C5=O.CO3.S47 |
27669 | COc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.n18nnnc19.c17ccco1.C6C3=O.CO4.S69.N35.C57 |
27670 | Cn1nnnc1SCC(=O)Nc1ccc(Cl)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.Cn1nnnc15.C3C2=O.S35.N24 |
27671 | Cc1cccc(NC(=O)CSc2nnnn2C)c1 | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | Cc1cccc5c1.c16nnnn1C.C3(=O)C4.N35.S46 |
27672 | CC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc5cc1.c17nnnn1C.C3(=O)C4.CC6=O.N35.S47 |
27673 | Cn1nnnc1SCC(=O)Nc1cccc2ccccc12 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.Cn1nnnc16.C4C3=O.S46.N35 |
27674 | Cc1cccc(C)c1NC(=O)CSc1nnnn1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | Cc1cccc(C)c14.c15nnnn1C.C2(=O)C3.N24.S35 |
27675 | COC(=O)c1ccccc1NC(=O)CSc1nnnn1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | c16ccccc15.c17nnnn1C.C3(=O)C4.C26=O.CO2.N35.S47 |
27676 | Cn1nnnc1SCC(=O)N(c1ccccc1)c1ccccc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nnnc16.c14ccccc1.c15ccccc1.C3C2=O.N245.S36 |
27677 | Cn1nnnc1SCC(=O)Nc1ccccc1Cl | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.Cn1nnnc15.C3C2=O.S35.N24 |
27679 | Cc1ccc(NC(=O)CSc2nnnn2C)cc1Cl | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P][Cl] | Cc1ccc5cc1Cl.c16nnnn1C.C3(=O)C4.N35.S46 |
27680 | CCOC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | c18cccc7c1.c19nnnn1C.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
27682 | Cc1ccc(C(=O)CSc2nnnn2C)c(C)c1 | [C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc4c(C)c1.c15nnnn1C.C4(=O)C3.S35 |
27683 | COc1ccc(Cl)cc1C(=O)CSc1nnnn1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | c12ccc(Cl)cc14.c15nnnn1C.C4(=O)C3.CO2.S35 |
27684 | Cn1nnnc1SCC(=O)NC1CCCCC1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cn1nnnc15.C14CCCCC1.C3C2=O.S35.N24 |
27685 | Cc1cccc(NC(=O)CSc2nc3c(=O)[nH]c(=O)[nH]c3n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][N][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | c17nc2c(=O)[nH]c(=O)[nH]c2n1C.Cc1cccc6c1.C4(=O)C5.N46.S57 |
27687 | COC(=O)CSc1ncnc2c1cnn2-c1ccccc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ncnc2c1cnn25.c15ccccc1.C3(=O)C4.CO3.S46 |
27688 | CC(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ncnc2c1cnn26.c16ccccc1.C3(=O)C5.CC4C.O34.S57 |
27689 | COc1ccccc1NCc1cc2cc(C)c(Cl)cc2[nH]c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c16cc2cc(C)c(Cl)cc2[nH]c1=O.c13ccccc15.CO3.N45.C46 |
27690 | CCOc1ccc2[nH]c(=O)c(CNc3ccccc3C)cc2c1 | [C][C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]c(=O)c8cc2c1.c17ccccc1C.CC4.O45.C68.N67 |
27691 | CCOc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1 | [C][C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]c(=O)c8cc2c1.c17ccc(F)cc1.CC4.O45.C68.N67 |
27692 | COc1ccc2cc(CNc3ccccc3C)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc7c(=O)[nH]c2c1.c16ccccc1C.CO4.C57.N56 |
27693 | COc1ccc2cc(CNc3ccc(C)cc3)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc7c(=O)[nH]c2c1.c16ccc(C)cc1.CO4.C57.N56 |
27694 | CCc1ccccc1NCc1cc2ccc(OC)cc2[nH]c1=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2ccc3cc2[nH]c1=O.c16ccccc15.CC6.N45.C47.O3C |
27695 | COc1ccc2cc(CNc3ccccc3C(F)(F)F)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2cc7c(=O)[nH]c2c1.c16ccccc18.C8(F)(F)F.CO4.C57.N56 |
27696 | COc1ccc2cc(CNc3cccc(C(F)(F)F)c3)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c14ccc2cc7c(=O)[nH]c2c1.c16cccc8c1.C8(F)(F)F.CO4.C57.N56 |
27697 | COc1ccc2cc(CNc3ccccc3OC)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][NH1][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c14ccc2cc8c(=O)[nH]c2c1.c17ccccc15.CO4.C68.N67.O5C |
27699 | COc1ccc2cc(CNc3ccccc3Cl)c(=O)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2cc7c(=O)[nH]c2c1.c16ccccc1Cl.CO4.C57.N56 |
27700 | CCn1c(C)nnc1SCC(=O)Nc1ccc(OC)cc1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n16c7nnc1C.c15ccc3cc1.C4C2=O.CC6.S47.N25.O3C |
27701 | CCn1c(C)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | n16c7nnc1C.c14ccc5cc1.C3C2=O.C5(C)=O.CC6.S37.N24 |
27702 | CCn1c(C)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | n15c7nnc1C.c14cccc6c1.C3C2=O.C6(F)(F)F.CC5.S37.N24 |
27703 | CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | n15c6nnc1C.c14ccc(Cl)cc1.C3C2=O.CC5.S36.N24 |
27704 | CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | n15c6nnc1C.c14cccc(Cl)c1.C3C2=O.CC5.S36.N24 |
27705 | CCn1c(C)nnc1SCC(=O)Nc1cccc(C)c1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | n15c6nnc1C.c14cccc(C)c1.C3C2=O.CC5.S36.N24 |
27706 | CCn1c(C)nnc1SCC(=O)Nc1ccccc1OC | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | n16c7nnc1C.c15ccccc13.C4C2=O.CC6.S47.N25.O3C |
27707 | CCn1c(C)nnc1SCC(=O)Nc1c(C)cccc1C | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c14c(C)cccc1C.n15c6nnc1C.C3C2=O.CC5.S36.N24 |
27709 | CCn1c(C)nnc1SC(C)C(=O)Nc1ccc(C(C)=O)cc1 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | n16c7nnc1C.c14ccc5cc1.C3(C)C2=O.C5(C)=O.CC6.S37.N24 |
27710 | CCOc1ccc(NC(=O)CSc2nnc(C)n2CC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c19nnc(C)n18.C3(=O)C6.CC4.O45.N37.S69.C8C |
27711 | CCc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc(N)cc(N)n1.c16ccc5cc1.C3(=O)C4.CC6.N35.S47 |
27712 | Cc1ccc(-c2nnc(SCC(N)=O)n2-c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c16nnc5n14.c14ccc(C)cc1.C3C(N)=O.S35 |
27714 | COc1ccccc1NC(=O)Cc1csc(NC(C)=O)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][Ring1][=Branch2] | c14ccccc16.c17csc5n1.C2(=O)C7.C3(C)=O.CO4.N26.N35 |
27715 | CCC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][S][Ring1][P] | c17ccccc15.c16nc8cs1.CCC3=O.C8C4=O.N36.N47.O5C |
27717 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4cc1.n14c5nnc16.c16ccccc1.C3C(N)=O.S35 |
27718 | Cc1cc(C)c2[nH]c(=O)c(CNc3ccc(F)cc3)cc2c1 | [C][C][=C][C][Branch1][C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c2[nH]c(=O)c6cc2c1.c15ccc(F)cc1.C46.N45 |
27719 | Cc1ccc(C)c2[nH]c(=O)c(CNc3ccccc3)cc12 | [C][C][=C][C][=C][Branch1][C][C][C][NH1][C][=Branch1][C][=O][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][Ring2][=Ring1][#C] | Cc1ccc(C)c2[nH]c(=O)c6cc12.c15ccccc1.C46.N45 |
27720 | CCSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1 | [C][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][=C][C][C][C][C][C][O][Ring1][Branch1] | c19nnc8n16.c15ccc(F)cc1.C17CCCO1.CC4.S49.C38.N35.C67 |
27721 | Cc1ccc(C(=O)CSc2nc(C)cc(SCC(N)=O)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c16nc7cc(C)n1.Cc1ccc5cc1.C5(=O)C3.C4C(N)=O.S36.S47 |
27722 | Cc1cccc(C)c1NC(=O)c1ccc(-n2cnnn2)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | Cc1cccc(C)c14.c15ccc6cc1.n16cnnn1.C35=O.N34 |
27723 | Cc1ccc(C)c(NC(=O)c2ccc(-n3cnnn3)cc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.c16ccc7cc1.n17cnnn1.C46=O.N45 |
27724 | Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16ccc7cc1.n17cnnn1.C46=O.N45 |
27725 | CCOC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19ccc%10cc1.n1%10cnnn1.C48=O.C59=O.CC6.O46.N57 |
27726 | COC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.c18ccc9cc1.n19cnnn1.C47=O.C58=O.CO4.N56 |
27727 | CC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc5cc1.c17ccc8cc1.n18cnnn1.CC6=O.C47=O.N45 |
27729 | O=C(c1ccc(-n2cnnn2)cc1)N1CCCc2ccccc21 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.c14ccc5cc1.n15cnnn1.O=C34 |
27730 | CCc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccccc14.c15ccc7cc1.n17cnnn1.C35=O.CC6.N34 |
27731 | O=C(Nc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c14ccc(F)cc1.c15ccc6cc1.n16cnnn1.O=C35.N34 |
27732 | CCc1nnc(NC(=O)c2ccc(-n3cnnn3)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][S][Ring2][Ring1][Ring1] | c16ccc8cc1.c17nnc5s1.n18cnnn1.C46=O.CC7.N45 |
27734 | Cc1cc(C)c(NC(=O)c2ccc(-n3cnnn3)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(C)c1.c16ccc7cc1.n17cnnn1.C46=O.N45 |
27735 | CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1] | CC1CCN4CC1.c15ccc6cc1.n16cnnn1.C45=O |
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