ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
24599 | N#Cc1cn2c(nc1NC(=O)c1ccc(F)cc1)nc1ccccc12 | [N][#C][C][=C][N][C][Branch2][Ring1][Branch1][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | N#Cc1cn2c(nc14)nc1ccccc12.c15ccc(F)cc1.C35=O.N34 |
24600 | N#Cc1cn2c(nc1NCc1ccccc1)nc1ccccc12 | [N][#C][C][=C][N][C][Branch1][#C][N][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | N#Cc1cn2c(nc14)nc1ccccc12.c15ccccc1.N34.C35 |
24602 | COc1ccc(C(NC(C)=O)NC(C)=O)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][#C][O][C] | c14ccc8cc15.C678.C2(C)=O.C3(C)=O.CO4.N26.N37.O5C |
24603 | Cc1cc(C)nc(SCC(=O)Nc2cc(F)c(F)cc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=N][Ring2][Ring1][Branch1] | c15cc(F)c(F)cc1F.Cc1cc(C)nc6n1.C4C3=O.S46.N35 |
24604 | Cn1ccnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.Cn1ccnc15.C3C2=O.S35.N24 |
24605 | Cn1ccnc1SCC(=O)Nc1cc(F)ccc1F | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cc(F)ccc1F.Cn1ccnc15.C3C2=O.S35.N24 |
24606 | O=C(CSc1ccccn1)Nc1cc(F)ccc1F | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cc(F)ccc1F.c15ccccn1.O=C2C3.S35.N24 |
24607 | Cc1cc(C)nc(SCC(=O)Nc2cc(F)ccc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc6n1.c15cc(F)ccc1F.C4C3=O.S46.N35 |
24608 | COCC(C)NC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c16ccc(Cl)c(Cl)c1.C4C5C.C23=O.CO4.N25.N36 |
24612 | O=C(c1cccs1)C(O)n1nnc2ccccc21 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n14nnc2ccccc21.O=C3C4O.c13cccs1 |
24613 | COc1ccc(C(=O)COc2ccc(F)cc2)c(O)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring2][Ring1][C] | c14ccc6c(O)c1.c15ccc(F)cc1.C6(=O)C3.CO4.O35 |
24614 | O=C(Cc1cnn(-c2ccccc2)c1)c1ccc(O)cc1O | [O][=C][Branch2][Ring1][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c13ccc(O)cc1O.c14cnn5c1.c15ccccc1.O=C3C4 |
24616 | O=C(c1cccs1)C(O)NS(=O)(=O)c1ccccc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.O=C4C2O.c14cccs1.N23 |
24617 | O=C(NC(O)C(=O)c1cccs1)c1ccccc1 | [O][=C][Branch1][P][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.C3(O)C4=O.c14cccs1.O=C25.N23 |
24618 | CC(=O)Oc1ccc(C(=O)COc2ccc(F)cc2)c(O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring2][Ring1][C] | c15ccc7c(O)c1.c16ccc(F)cc1.C7(=O)C4.CC3=O.O35.O46 |
24619 | CCOC(=O)COc1cc(C)c(NC(C)=O)c(C)c1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][N][C] | c16cc(C)c7c(C)c1C.C2(=O)C5.C3(C)=O.CC4.O24.O56.N37 |
24620 | COc1ccc(CC(=O)OCCn2cnc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#Branch1] | n17cnc2ccccc2c1=O.c16ccc8cc1.C8C4=O.C5C7.CO6.O45 |
24621 | Cc1conc1NC(=O)Cc1ccc(Cl)cc1Cl | [C][C][=C][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.Cc1conc13.C2(=O)C4.N23 |
24623 | Nc1ccccc1NC(=O)C(O)(c1ccccc1)c1ccccc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1ccccc13.C2(=O)C45O.c14ccccc1.c15ccccc1.N23 |
24624 | O=C(Oc1ccc2oc(=O)ccc2c1)c1cccnc1 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccc2oc(=O)ccc2c1.c15cccnc1.O=C35.O34 |
24625 | Cc1cc(=O)oc2cc(OC(=O)c3ccncc3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#C] | Cc1cc(=O)oc2cc5ccc12.c16ccncc1.C46=O.O45 |
24627 | COc1cc2nc(N(CCO)CCO)nc(N)c2cc1OC | [C][O][C][=C][C][=N][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=N][C][Branch1][C][N][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c13cc2nc7nc(N)c2cc14.N567.C5CO.C6CO.CO3.O4C |
24628 | CCOC(=O)C1=C(c2ccccc2)NC(C)NC1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][N][C][Ring1][=N][C] | C3(=O)C1=C(c2ccccc2)NC(C)NC1C.CC4.O34 |
24630 | CC(=O)Nc1ccc(NC(=O)c2ccccc2N)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1N.CC3=O.C47=O.N35.N46 |
24631 | COC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][Cl] | c13cc(S(N)(=O)=O)c(Cl)cc1Cl.C23=O.CO2 |
24633 | CCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)C1=C(C)NC2=C(C(=O)OC2)C15.c15ccccc1.CC4.O34 |
24634 | O=C1OCc2nc3c(c(-c4ccccc4)c21)C(=O)OC3 | [O][=C][O][C][C][=N][C][=C][Branch1][P][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][Ring1][#C][C][=Branch1][C][=O][O][C][Ring1][=C] | O=C1OCc2nc3c(c5c21)C(=O)OC3.c15ccccc1 |
24646 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2ccccc2c1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | n15cnc2ccccc2c1=O.c14ccc2ccccc2c1.O=C3C5.N34 |
24670 | Cc1ccccc1Cn1cnc2ccc(F)cc2c1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][=O] | n13cnc2ccc(F)cc2c1=O.Cc1ccccc14.C34 |
24671 | O=C(Cn1cnc2ccc(F)cc2c1=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n14cnc2ccc(F)cc2c1=O.c13ccc(F)cc1.O=C3C4 |
24672 | O=c1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)[nH]1 | [O][=C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#C] | O=c1cnn3c(=O)[nH]1.c13ccc(Cl)c(Cl)c1 |
24674 | COc1ccc2c(C)nc(NS(=O)(=O)c3ccc(N)cc3)nc2c1 | [C][O][C][=C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c14ccc2c(C)nc6nc2c1.S5(=O)(=O)c1ccc(N)cc1.CO4.N56 |
24675 | Cc1[nH]c(C)c(C(=O)NCc2ccccc2)c(=O)c1Cl | [C][C][NH1][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][Cl] | Cc1[nH]c(C)c5c(=O)c1Cl.c16ccccc1.C35=O.N34.C46 |
24676 | CSc1ncc(N(C)C)c(NS(=O)(=O)c2ccc(N)cc2)n1 | [C][S][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | S3(=O)(=O)c1ccc(N)cc1.c16ncc5c4n1.N5(C)C.CS6.N34 |
24677 | CCOC(=O)C(c1ccccc1)c1nc2ccccc2[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O] | c15nc2ccccc2[nH]c1=O.c16ccccc1.C3(=O)C56.CC4.O34 |
24678 | O=C(Cn1cnc2ccccc2c1=O)c1cccc(Br)c1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | n14cnc2ccccc2c1=O.c13cccc(Br)c1.O=C3C4 |
24679 | O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | n14cnc2ccccc2c1=O.c13ccc(Cl)cc1Cl.O=C3C4 |
24682 | CN(C)C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P] | c16ccc2c7cc(=O)oc2c1.c17ccccc1.C4(=O)C5.CN4C.O56 |
24683 | O=C1CCCCC1Oc1ccc2ccc(=O)oc2c1 | [O][=C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c14ccc2ccc(=O)oc2c1.O=C1CCCCC13.O34 |
24684 | COC(=O)c1c(C)oc2ccc(OCC(=O)OC(C)(C)C)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | c18c(C)oc2ccc7cc12.C5C4=O.C6(C)(C)C.C38=O.CO3.O57.O46 |
24685 | O=C1CCCCC1Oc1ccc2c3c(c(=O)oc2c1)CCC3 | [O][=C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2] | c15ccc2c3c(c(=O)oc2c1)CCC3.O=C1CCCCC14.O45 |
24686 | CCOc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 | [C][C][O][C][=C][C][=C][O][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][N][=C][Ring1][S] | c16ccc2oc(C)c7c2c1.C37=O.C5(C)C.CC4.O46.O35 |
24687 | Brc1ccc(-c2cn3c(n2)CCC3)cc1 | [Br][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C] | c14cn2c(n1)CCC2.Brc1ccc4cc1 |
24688 | O=C(Cn1nnc(-c2ccccc2)n1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14nnc5n1.c15ccccc1.c13ccccc1.O=C3C4 |
24689 | CCn1c(SCC(=O)OC)nc2ccccc2c1=O | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15c6nc2ccccc2c1=O.C4C3=O.CC5.S46.O3C |
24690 | COc1ccc(-c2c(-c3ccccc3)noc2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][N][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c17c6noc1N.c16ccccc1.CO4.O5C |
24691 | COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O | [C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring1][S][=O] | c13c(O)cc2c(c1O)C1OC4C(O)C(O)C1OC2=O.CO3.C4O |
24692 | CC(=O)Oc1c[nH]c2ccc(Br)cc12 | [C][C][=Branch1][C][=O][O][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c14c[nH]c2ccc(Br)cc12.CC3=O.O34 |
24693 | Cc1ccccc1C(=O)Cn1c(=O)sc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n14c(=O)sc2ccccc21.Cc1ccccc13.C3(=O)C4 |
24694 | O=c1sc2cc(Br)ccc2n1CO | [O][=C][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][O] | O=c1sc2cc(Br)ccc2n13.C3O |
24695 | O=c1sc2ccccc2n1S(=O)(=O)c1ccccc1 | [O][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1sc2ccccc2n1S(=O)(=O)c1ccccc1 |
24696 | Cc1ccc(-c2cc(C(N)=O)c3ccccc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15cc4c2ccccc2n1.Cc1ccc5cc1.C4(N)=O |
24697 | NC(=O)c1cc(-c2cccs2)nc2ccccc12 | [N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | c13cc4nc2ccccc12.c14cccs1.NC3=O |
24698 | Cc1ccc(O)c(C(=O)CSc2nnnn2-c2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | Cc1ccc(O)c4c1.c16nnnn15.c15ccccc1.C4(=O)C3.S36 |
24700 | Cc1ccc(O)c(-c2n[nH]c(=O)c3ccccc23)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c14n[nH]c(=O)c2ccccc12.Cc1ccc(O)c4c1 |
24702 | COc1ccc(C(=O)NCc2ccc(C)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | c17ccc(C)cc1C.c14ccc6cc1.C36=O.CO4.N35.C57 |
24703 | COc1ccc(C(=O)Nc2cc(C)ccc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring1][P] | c15cc(C)ccc1O.c14ccc6cc1.C36=O.CO4.N35 |
24705 | O=C(Cn1cnc2ccccc2c1=O)c1cccc2ccccc12 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | n14cnc2ccccc2c1=O.c13cccc2ccccc12.O=C3C4 |
24706 | Cc1ccc(C(O)C(=O)c2ccc(N(C)C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c14ccc3cc1.C5(O)C4=O.N3(C)C |
24707 | Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Nc1ccc6cc1.c15ccc(Cl)cc1.C4C3=O.S46.N35 |
24712 | NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=C] | c15ccc(Cl)cc1.c16nnc7s1.NC(=O)C3.S36.S47.C45 |
24713 | C=CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 | [C][=C][C][Branch1][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][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.C=CC3C.S36.C45 |
24714 | COc1ccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | n16c7nc2ccccc2c1=O.c14ccc6cc1.C5C(N)=O.CO4.S57 |
24715 | NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][P] | c16cccc2ccccc12.c17nnc8s1.NC(=O)C4.S47.S58.C56 |
24716 | CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 | [C][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)n(C)c(=O)n2C)n14.c15ccc(Cl)cc1.CN3.C45 |
24717 | Cc1nc2sc3c(c2c(=O)n1N)CCC(C(C)(C)C)C3 | [C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] | Cc1nc2sc3c(c2c(=O)n1N)CCC4C3.C4(C)(C)C |
24718 | Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccccc1 | [C][C][S][C][=N][C][=N][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=C][Ring1][=C][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1sc2ncnc4c2c15.n14ncc(C#N)c1N.c15ccccc1 |
24719 | Cc1ccc(-c2csc3ncn(N)c(=O)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][N][=C][N][Branch1][C][N][C][=Branch1][C][=O][C][Ring1][O][=Ring1][Branch2][C][=C][Ring1][P] | c14csc2ncn(N)c(=O)c12.Cc1ccc4cc1 |
24720 | CCOC(=O)c1cnn(-c2nc(C)nc3sc4c(c23)CCC4)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=Ring2][Ring1][C][N] | c18nc(C)nc2sc3c(c12)CCC3.c17cnn8c1N.C57=O.CC6.O56 |
24721 | C=CCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][=C][C][N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCC1.C=CC4 |
24722 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 | [C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15cccc(C)c1.CN3.C45 |
24723 | O=C(CSc1nc2n(n1)CCCCC2)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2n(n1)CCCCC2.c15ccccc1.O=C3C4.S46.N35 |
24724 | CC(C)N(C(=O)CSc1nc2n(n1)CCCCC2)c1ccccc1 | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2n(n1)CCCCC2.c16ccccc1.C3(=O)C5.CC4C.N346.S57 |
24725 | Cc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c17nc2n(n1)CCCCC2.Cc1ccc6c(C)c1.C4(=O)C5.N46.S57 |
24726 | COc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c17nc2n(n1)CCCCC2.c14ccc6cc1.C6(=O)C5.CO4.S57 |
24727 | Cc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][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][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | n15cnc2c1c(=O)[nH]c(=O)n2C.Cc1ccc4c(C)c1.C4(=O)C5 |
24729 | COC(=O)c1cn(-c2ccccc2C)nc1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][N][C][=Branch1][C][=O][O][C] | c16cn7nc15.c17ccccc1C.C36=O.C45=O.CO3.O4C |
24730 | CCC(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c16ccc4cc1.c15cccs1.CCC6=O.C35=O.N34 |
24731 | O=C(c1ccc2ccccc2c1)c1cnc2ncccn12 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][N][=C][N][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | c14ccc2ccccc2c1.c13cnc2ncccn12.O=C34 |
24732 | Cc1cc(N)n(-c2nc(C)nc3sc4c(c23)CCC(C)C4)n1 | [C][C][C][=C][Branch1][C][N][N][Branch2][Ring1][N][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2][N][=Ring2][Ring1][Branch1] | c15nc(C)nc2sc3c(c12)CCC(C)C3.Cc1cc(N)n5n1 |
24733 | COC(=O)c1c(C)cc(N2CCOCC2)n2c1nc1ccccc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c15c(C)cc4n2c1nc1ccccc12.N14CCOCC1.C35=O.CO3 |
24735 | O=c1c(Oc2cnn(-c3ccccc3)c2)coc2c3c(ccc12)OCO3 | [O][=C][C][Branch2][Ring1][Ring1][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][O][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1][O][C][O][Ring1][Branch2] | O=c1c4coc2c3c(ccc12)OCO3.c15cnn6c1.c16ccccc1.O45 |
24736 | COC(=O)c1c(N)n(-c2ccccc2O)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.c16ccccc1O.C45=O.CO4 |
24737 | COC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.C6CC(C)C.C45=O.CO4 |
24738 | COC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.c16cccc(O)c1.C45=O.CO4 |
24739 | CCC(CO)n1c(N)c(C(=O)OC)c2nc3ccccc3nc21 | [C][C][C][Branch1][Ring1][C][O][N][C][Branch1][C][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][C] | n16c(N)c5c2nc3ccccc3nc21.CCC6CO.C45=O.O4C |
24740 | CCOc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S] | n16c(N)c(C#N)c2nc3ccccc3nc21.c15ccccc16.CC4.O45 |
24741 | N#Cc1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14ccc2c(c1)OCO2 |
24743 | CCOC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | c16c(N)n7c2nc3ccccc3nc12.C18CCCO1.C46=O.CC5.O45.C78 |
24744 | COC(=O)c1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | c15c(N)n6c2nc3ccccc3nc12.c16ccc(O)cc1.C45=O.CO4 |
24746 | COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | n16c(N)c(C#N)c2nc3ccccc3nc21.c15ccc7cc1.CO5.C67 |
24747 | N#Cc1c(N)n(-c2cccc(N)c2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14cccc(N)c1 |
24748 | COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][=Branch1][O][C] | n17c(N)c(C#N)c2nc3ccccc3nc21.c15ccc7cc16.CO5.O6C |
24749 | CCC(C)n1c(N)c(C#N)c2nc3ccccc3nc21 | [C][C][C][Branch1][C][C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S] | n14c(N)c(C#N)c2nc3ccccc3nc21.CCC4C |
24750 | N#Cc1c(N)n(-c2ccc3c(c2)OCCO3)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c14ccc2c(c1)OCCO2 |
24751 | COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][Branch2] | n16c(N)c(C#N)c2nc3ccccc3nc21.c15ccc7cc1.C7C6.CO5 |
24752 | N#Cc1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 | [N][#C][C][=C][Branch1][C][N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch2] | N#Cc1c(N)n4c2nc3ccccc3nc12.c15ccc(F)cc1.C45 |
24753 | COC(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c18ccc7cc1.c16ccc(F)cc1.C4(=O)C5.C38=O.CO3.N47.O56 |
24754 | Cc1cccn2c(=O)c(C#N)c(SCc3ccccc3)nc12 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccn2c(=O)c(C#N)c6nc12.c15ccccc1.S46.C45 |
24755 | COc1cc(OC)c2c(N)c(C(=O)c3ccccc3)oc2c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=C][Ring2][Ring1][Ring2] | c14cc5c2c(N)c6oc2c1.c17ccccc1.C67=O.CO4.O5C |
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