ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1561 | Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch1] | c16sc(C)c(C)c17.Cc1ccc5cc1.C4C3=O.C7(N)=O.O45.N36 |
1563 | COc1ccc(NC(=O)COc2ccccc2C)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c16ccccc1C.C3(=O)C4.CO5.N37.O46 |
1564 | Cc1cc(C)n(C(=O)COc2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][P] | Cc1cc(C)n(C(=O)C3)n1.c14ccc(Br)cc1.O34 |
1565 | Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c14sc(C)c(C)c16.Cc1ccc5cc1.C35=O.C6(N)=O.N34 |
1566 | COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c14sc(C)c(C)c15.C2(=O)CCC3=O.C5(N)=O.CO2.N34 |
1567 | Cc1sc(NC(=O)COc2ccc(Cl)cc2)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring2][C] | Cc1sc6c7c1C.c15ccc(Cl)cc1.C3(=O)C4.C7(N)=O.N36.O45 |
1568 | Cc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch1] | c16sc(C)c(C)c17.Cc1cccc5c1.C4C3=O.C7(N)=O.O45.N36 |
1569 | COC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.C37=O.C46=O.C16CC1.CO3.N45 |
1570 | NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][Ring1][=Branch1] | c16c4sc2c1CCCC2.C15CCCCC1.NC6=O.C35=O.N34 |
1572 | COc1ccccc1OCC(=O)n1nc(C)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | C2C(=O)n1nc(C)cc1C.c13ccccc14.CO3.O24 |
1574 | CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring1][P] | c17ccc(C)c(Br)c1.c15ccc6cc1.CC3=O.C47=O.N35.N46 |
1575 | Cc1ccc(C(=O)N2CCC(C)CC2)cc1Br | [C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][Br] | Cc1ccc4cc1Br.N13CCC(C)CC1.C34=O |
1576 | Cc1ccc(C(=O)N2CCCCC2)cc1Br | [C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Br] | Cc1ccc4cc1Br.N13CCCCC1.C34=O |
1577 | Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Br | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][Br] | Cc1ccc5cc1Br.c14ccccc16.C35=O.C6(N)=O.N34 |
1579 | CC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15cc(C)ccc1C.c17cccc6c1.C3(=O)C4.CC7=O.N36.O45 |
1580 | Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Br | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][Br] | Cc1ccc5cc1Br.c14ccc6cc1.C35=O.C6(N)=O.N34 |
1581 | Cc1cc(C)n(C(=O)c2ccc(C)c(Br)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][N][=Ring1][S] | Cc1cc(C)n(C3=O)n1.c13ccc(C)c(Br)c1 |
1582 | Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1Br | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Br] | Cc1ccc5cc1Br.c16ccccc1.C35=O.N34C.C46 |
1590 | Cc1sc(NC(=O)c2ccccc2)c(C(N)=O)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring1][P][C] | Cc1sc4c6c1C.c15ccccc1.C35=O.C6(N)=O.N34 |
1592 | Cc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring1] | c14sc(C)c(C)c16.Cc1cccc5c1.C35=O.C6(N)=O.N34 |
1593 | CC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C] | C5(=O)n1nc(C)cc1C.c14ccc5cc1.CC3=O.N34 |
1594 | CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O | [C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][=N][C][Branch1][C][N][=O] | c14sc6c(C)c15.c17ccccc1.CCC3=O.C5(N)=O.N34.C67 |
1597 | COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][S][C][C][C][Ring1][Branch1] | c18c7sc2c1CCC2.c16ccccc1.C4(=O)C5.C38=O.CO3.N47.O56 |
1599 | CCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c15ccccc1.CCC2=O.C36=O.N24.N35 |
1601 | NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccccc1.C3(=O)CC6.NC5=O.N34 |
1605 | CC(=O)N(C)c1ccc(NC(=O)COc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccccc1C.C4(=O)C5.CC3=O.N37C.N48.O56 |
1606 | COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.c16cccs1.C37=O.C46=O.CO3.N45 |
1615 | CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc(S6(=O)=O)cc1.c17ccncc1.CC3.O34.N56.C57 |
1616 | CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc(S7(=O)=O)cc1.c18ccc5cc1.CC3.O34.N67.C68.O5C |
1617 | Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c(S4(=O)=O)c(C)c1.c15cccnc1.N34.C35 |
1618 | O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.N13CCCCC1 |
1620 | COC(=O)c1ccccc1NC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccccc14.c16cccnc1.C25=O.C36=O.CO2.N34 |
1622 | COc1cc(SC)ccc1C(=O)Nc1cccnc1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc6ccc15.c14cccnc1.C25=O.CO3.S6C.N24 |
1623 | CCC(CC)NC(=O)c1ccc(OC)cc1OC | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c16ccc3cc14.CCC5CC.C26=O.N25.O3C.O4C |
1624 | Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | Cc1ccc5o1.c16nnc7o1.c17ccco1.C5(=O)C4.S46 |
1627 | COC(=O)c1cc(Br)cc(Br)c1N | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N] | c13cc(Br)cc(Br)c1N.C23=O.CO2 |
1628 | Nc1ncnc2c1ncn2C1CC(O)C(CO)O1 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2] | Nc1ncnc2c1ncn24.C14CC(O)C3O1.C3O |
1630 | CC(C)(C)c1ccc(C(=O)Nc2cccnc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc5cc1.c14cccnc1.CC6(C)C.C35=O.N34 |
1631 | COc1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c19cc7ccc18.c15ccc6cc1.C4C3=O.CO5.O46.N39.O7C.O8C |
1632 | COc1cccc(NC(=O)COc2ccccc2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | c15cccc8c1.c16ccccc17.C3(=O)C4.CO5.N38.O46.O7C |
1633 | COc1ccc(NC(=O)COc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16ccccc17.C3(=O)C4.CO5.N38.O46.O7C |
1634 | O=C(COc1ccc(Cl)cc1Cl)NCc1ccco1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc1Cl.c16ccco1.O=C2C3.O34.N25.C56 |
1635 | CCc1cccc(C)c1NC(=O)COc1ccc(OC)cc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17cccc(C)c16.c14ccc5cc1.C2(=O)C3.CC7.N26.O34.O5C |
1636 | O=c1c(=Cc2ccco2)sc2nnc(-c3ccccc3)n12 | [O][=C][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][O] | O=c1c(=Cc2ccco2)sc2nnc4n12.c14ccccc1 |
1637 | COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][O][C] | c15cccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c16.CO5.O6C |
1638 | COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)cc1.CO5 |
1639 | Cc1ccc(NC(=O)CSc2nccn2C)cc1Cl | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P][Cl] | Cc1ccc5cc1Cl.c16nccn1C.C3(=O)C4.N35.S46 |
1640 | Cc1ccc(SCC(=O)Nc2ccccc2C#N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][Ring1] | c15ccccc1C#N.Cc1ccc6cc1.C4C3=O.S46.N35 |
1641 | COc1cc(NC(=O)CSc2ccccn2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][Cl] | c14cc7c5cc1Cl.c18ccccn1.C3(=O)C6.CO4.N37.S68.O5C |
1643 | COc1cccc(NC(=O)c2nc(N)nc(N(C)C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c17nc5nc(N)n1.c14cccc6c1.C37=O.N5(C)C.CO4.N36 |
1645 | Cc1ccc(OCc2nc(N)nc(N(C)C)n2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C] | Cc1ccc4cc1C.c16nc5nc(N)n1.N5(C)C.O34.C36 |
1646 | CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccccc2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | S4(=O)(=O)c1ccccc1.c15nc6nc(N)n1.CN5C.N34C.C36 |
1647 | C=CCn1c(SC)nnc1-c1ccc(OC)c(OC)c1 | [C][=C][C][N][C][Branch1][Ring1][S][C][=N][N][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16ccc2c3c1.n14c5nnc16.C=CC4.S5C.O2C.O3C |
1648 | O=C(CSc1ccc(Cl)cc1)Nc1cccnc1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(Cl)cc1.c14cccnc1.O=C2C3.S35.N24 |
1651 | O=c1cc(-c2ccc(O)cc2O)oc2ccccc12 | [O][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | O=c1cc3oc2ccccc12.c13ccc(O)cc1O |
1662 | CCS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(OC)cc1 | [C][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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc3cc1.CCS5(=O)=O.N12CCCC1.C4C2=O.N456.O3C |
1664 | COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1.C14CCCC1.CO5.O34 |
1665 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc3c4c1.CO2.O3C.O4C |
1666 | Cc1cc(N2CCOCC2)n2c(nc3ccccc32)c1C#N | [C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Ring2][Ring1][Ring1][C][#N] | Cc1cc4n2c(nc3ccccc32)c1C#N.N14CCOCC1 |
1668 | Nc1c(Br)cc(Br)c2nonc12 | [N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=N][O][N][=C][Ring1][O][Ring1][Branch1] | Nc1c(Br)cc(Br)c2nonc12 |
1669 | Nc1nc(=O)n(C2CCC(CO)O2)cc1Br | [N][C][=N][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=C][Ring1][=C][Br] | Nc1nc(=O)n4cc1Br.C14CCC3O1.C3O |
1671 | CCOC(=O)n1c(=O)sc2cc(Br)ccc21 | [C][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=O][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | C3(=O)n1c(=O)sc2cc(Br)ccc21.CC4.O34 |
1672 | CCOC(=O)Nc1nc2c(Cl)cccc2s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2] | c16nc2c(Cl)cccc2s1.C34=O.CC5.O35.N46 |
1673 | CCC1(O)C(=O)Nc2ccc(Br)cc21 | [C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N] | CCC1(O)C(=O)Nc2ccc(Br)cc21 |
1674 | CCOC(=O)Cn1cnc2c1c(=O)[nH]c(=O)n2C | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15cnc2c1c(=O)[nH]c(=O)n2C.C3(=O)C5.CC4.O34 |
1675 | CCn1c(SCC(N)=O)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3C(N)=O.CC4.S35 |
1677 | CSc1ccc(Cl)c(C(=O)Nc2nccs2)c1 | [C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | c16ccc(Cl)c5c1.c14nccs1.C35=O.CS6.N34 |
1678 | Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring2][Ring1][C] | c15cc(Cl)cc(Cl)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
1679 | Cn1cnnc1SCC(=O)c1ccc(Cl)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.Cn1cnnc14.C2C3=O.S24 |
1680 | Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][P] | c15cccc(Cl)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
1681 | CCOC(=O)Cn1nnnc1-c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.n14nnnc15.C2(=O)C4.CC3.O23 |
1682 | CCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][C][C][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][=Ring1][N][C] | c15sc2nc(C)n(N)c(=O)c2c1C.C35=O.CC4.O34 |
1683 | CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.C3(=O)C5.CC4.O34 |
1685 | CCOC(=O)C(C)n1cnc2c1c(=O)[nH]c(=O)n2C | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n15cnc2c1c(=O)[nH]c(=O)n2C.C3(=O)C5C.CC4.O34 |
1687 | CCOC(=O)c1ccc(S(C)(=O)=O)c(C)c1O | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][O][O] | c14ccc(S(C)(=O)=O)c(C)c1O.C24=O.CC3.O23 |
1688 | Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | Cn1c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1 |
1689 | CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(C)C | [C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][Branch1][C][C][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n13.C3C(C)C.CS4 |
1690 | CCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C | [C][C][N][C][Branch1][#Branch1][S][C][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c5nc2c1c(=O)[nH]c(=O)n2C.C3(C)C.CC4.S35 |
1691 | CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c15nc2c(c(=O)[nH]c(=O)n2C)n1C.N345.CC3.C4C |
1692 | O=C(Nc1cc(F)c(F)cc1Cl)c1cccnc1 | [O][=C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cc(F)c(F)cc1Cl.c14cccnc1.O=C24.N23 |
1693 | N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1c3nc4nc1N.c14ccccc1.C3(F)(F)F |
1694 | O=C(CSc1ncccn1)Nc1cc(F)c(F)cc1F | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | c14cc(F)c(F)cc1F.c15ncccn1.O=C2C3.S35.N24 |
1695 | O=C(CSc1ncccn1)Nc1ccc(F)cc1F | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c15ncccn1.O=C2C3.S35.N24 |
1697 | CCOC(=O)c1c(Cl)c2ccccc2[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][O][=O] | c15c(Cl)c2ccccc2[nH]c1=O.C35=O.CC4.O34 |
1699 | CC(=O)Nc1nc2cc3nc(NC(C)=O)sc3cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=Ring1][=Branch2][C][=C][Ring1][=N][S][Ring1][S] | c16nc2cc3nc7sc3cc2s1.CC4=O.C5(C)=O.N46.N57 |
1700 | Cn1ccnc1SCC(=O)Nc1cccc(Cl)c1Cl | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.Cn1ccnc15.C3C2=O.S35.N24 |
1701 | Cn1ccnc1SCC(=O)Nc1ccc(Br)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.Cn1ccnc15.C3C2=O.S35.N24 |
1702 | Cc1cc(Br)ccc1NC(=O)CSc1nncn1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | Cc1cc(Br)ccc14.c15nncn1C.C2(=O)C3.N24.S35 |
1703 | COc1c(Cl)cc(Cl)cc1C(=O)N1CCOCC1 | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13c4cc(Cl)cc1Cl.N12CCOCC1.C24=O.CO3 |
1704 | CC(C)OC(=O)Cn1c(=O)sc2ccccc21 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)sc2ccccc21.C3(=O)C5.CC4C.O34 |
1705 | Cc1cc(C)nc(SCC(=O)Nc2cc(C)on2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc6n1.c15cc(C)on1.C4C3=O.S46.N35 |
1706 | CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC | [C][C][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][#Branch2][C][=Branch1][C][=O][O][C] | c15sc6c(C)c17.CCC4=O.C26=O.C37=O.N45.O2C.O3C |
1707 | CCc1ccc(NC(=O)CSc2nnnn2C)cc1 | [C][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] | c16ccc5cc1.c17nnnn1C.C3(=O)C4.CC6.N35.S47 |
1708 | OCC1OC(Nc2ccc(Br)cc2)C(O)C(O)C1O | [O][C][C][O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][O] | C15OC4C(O)C(O)C1O.c13ccc(Br)cc1.OC5.N34 |
1709 | OCC1OC(Nc2ccc(Cl)cc2)C(O)C(O)C1O | [O][C][C][O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][S][O] | C15OC4C(O)C(O)C1O.c13ccc(Cl)cc1.OC5.N34 |
1710 | CCC(CC)NC1=NS(=O)(=O)c2ccccc21 | [C][C][C][Branch1][Ring1][C][C][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.CCC3CC |
1711 | CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C] | c17nc2c(c(=O)[nH]c(=O)n2C)n16.C3(=O)C5.CC4.O34.S57.C6C |
1712 | OCC1OC(Nc2ccccc2)C(O)C(O)C1O | [O][C][C][O][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#C][O] | C15OC4C(O)C(O)C1O.c13ccccc1.OC5.N34 |
1713 | Cn1c(=O)[nH]c(=O)c2[nH]c(N3CCCCCC3)nc21 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][NH1][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=Ring1][N][Ring2][Ring1][C] | Cn1c(=O)[nH]c(=O)c2[nH]c4nc21.N14CCCCCC1 |
1715 | COc1ccc(NS(=O)(=O)N2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | N4S(=O)(=O)N1CCCCC1.c13ccc4cc1.CO3 |
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