ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34573 | COc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c13ccc6c4c1.c15nc7nc(N)n1.C7(F)(F)F.CO3.N56.O4C |
34574 | CCOc1ccc(C)cc1S(=O)(=O)NCc1ccccc1 | [C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc(C)cc1S5(=O)=O.c16ccccc1.CC2.O23.N45.C46 |
34575 | CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)(C)OC2 | [C][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][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2] | c18c6sc2c1CC(C)(C)OC2.C38=O.C47=O.C17CC1.CC5.O35.N46 |
34576 | Cn1nnnc1SCc1nc(N)nc(Nc2ccccc2)n1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C] | c16nc4nc(N)n1.Cn1nnnc17.c15ccccc1.S37.C36.N45 |
34577 | CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C] | c14ccc(S5(=O)=O)cc1C.N15CCC6CC1.C6(N)=O.CC3.O34 |
34578 | CC1CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | c14ncnc2c1[nH]c1ccc(Cl)cc12.CC1CN4CC(C)O1 |
34579 | COc1cc(S(=O)(=O)N2CCOCC2)ccc1Br | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | c13cc(S4(=O)=O)ccc1Br.N14CCOCC1.CO3 |
34580 | O=C(Nc1ccccc1Cl)C1CC(=O)n2ncnc2N1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][=Branch1][C][=O][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][#Branch2] | C15CC(=O)n2ncnc2N1.c14ccccc1Cl.O=C35.N34 |
34581 | CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S6(=O)(=O)c1ccc(C)cc1.c17ccco1.C4C2=O.N346.CC3.N25.C57 |
34584 | CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O | [C][C][C][N][N][=C][Branch2][Ring1][Branch1][O][C][=N][C][Branch1][Ring1][S][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][O][C][=C][C][Ring2][Ring1][C][=O] | n16nc3ccc1=O.c14nc5nc7n1.CCC6.N5(C)C.O34.S7C |
34585 | Cc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Cl] | Cc1nn7c(C)c1Cl.c18ccc6cc1.c15nccs1.C46=O.C78.N45 |
34586 | COc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][N][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n17ncc2c6ncnc21.c15ccc7cc1.N16CCC(C)CC1.CO5 |
34587 | Clc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | n17ncc2c5ncnc21.Clc1ccc7cc1.C16CCCC1.N56 |
34588 | CCc1cccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1] | c16c[nH]c(=O)[nH]c1=O.c17cccc5c1.C4C3=O.CC7.O45.N36 |
34590 | CCOc1ccc(-c2nnc3n2N=C(C)CS3)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][C][C][C][S][Ring1][#Branch1][C][=C][Ring1][S] | c16nnc2n1N=C(C)CS2.c15ccc6cc1.CC4.O45 |
34592 | Cc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][Ring1][=N] | Cc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 |
34593 | Cn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1.c16cnccn1.C3C4=O.S35 |
34594 | COc1ccc(CSc2nnc(-c3ccccn3)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8n1N.c18ccccn1.CO4.C56.S57 |
34595 | COc1cccc(OC)c1C(=O)Nc1nnn(C)n1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1] | c13cccc4c16.c15nnn(C)n1.C26=O.CO3.O4C.N25 |
34596 | Cc1nc2ccccc2nc1SCC(=O)N1CCC(C)CC1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | Cc1nc2ccccc2nc15.N13CCC(C)CC1.C4C3=O.S45 |
34597 | CC(C#N)On1c(SC(C)C#N)nc2ccccc2c1=O | [C][C][Branch1][Ring1][C][#N][O][N][C][Branch1][Branch2][S][C][Branch1][C][C][C][#N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | O3n1c5nc2ccccc2c1=O.CC3C#N.C4(C)C#N.S45 |
34598 | CN(C)c1ncnc2c1NC(O)c1c(F)c(F)c(F)c(F)c1S2 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][C][Branch1][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][S][Ring1][S] | c13ncnc2c1NC(O)c1c(F)c(F)c(F)c(F)c1S2.CN3C |
34599 | c1cncc(-c2nnc3sc(-c4ccco4)nn23)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c16nnc2sc5nn12.c1cncc6c1.c15ccco1 |
34600 | Nc1nc2n(n1)C(c1cccs1)CC(c1ccc(Cl)cc1)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1] | Nc1nc2n(n1)C(c1cccs1)CC3N2.c13ccc(Cl)cc1 |
34601 | Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccn1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nn1c5nnc16.c14cccc(Cl)c1.c16ccccn1.S35.C34 |
34602 | Nc1nc2n(n1)C(c1ccccc1Cl)CC(c1ccccc1)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1ccccc1Cl)CC3N2.c13ccccc1 |
34603 | CCn1c(SCC(=O)OC)nc2sc(C)c(C)c2c1=O | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][P][=O] | n15c6nc2sc(C)c(C)c2c1=O.C4C3=O.CC5.S46.O3C |
34604 | CCn1c(SCC(=O)OC(C)C)nc2sc(C)c(C)c2c1=O | [C][C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | n16c7nc2sc(C)c(C)c2c1=O.C5C3=O.C4(C)C.CC6.S57.O34 |
34605 | CCn1c(C2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | n15c7nc2ccccc21.C17CC(=O)N6C1.c16cccc4c1.CC5.O4C |
34607 | Cc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O] | c15nc2ccccc2[nH]1.Cc1ccccc14.N14CC5CC1=O |
34608 | Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc5cc1C.c16nnc7n1N.c17ccco1.C45.S46 |
34610 | Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccn1 | [N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nn1c6nnc17.c15cccc(F)c1.c17ccccn1.C4C3=O.S46.N35 |
34611 | O=c1c2ccccc2oc2nc3n(c(=O)c12)CCS3 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][#Branch1][C][C][S][Ring1][Branch2] | O=c1c2ccccc2oc2nc3n(c(=O)c12)CCS3 |
34612 | Cc1ccc(CSc2nnc(-c3cccnc3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nnc7n1C.c17cccnc1.C45.S46 |
34613 | CC(C)(C)C1=Nn2c(nnc2-c2ccccn2)SC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][#C] | CC(C)(C)C1=Nn2c3nnc2SC1.c13ccccn1 |
34614 | Cc1cccc(-n2ncc3c2ncn2nc(-c4ccncc4)nc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][#C][Ring1][O][=C][Ring2][Ring1][Branch2] | n15ncc2c1ncn1nc6nc21.Cc1cccc5c1.c16ccncc1 |
34615 | COC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][N] | c15nnc6n1N.c16cccc(Cl)c1.C3(=O)C4.CO3.S45 |
34616 | Cn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][=Branch1] | c16ccc8cc1.Cn1nnc7n1.C18CCCCC1.C4(=O)C5.N47.O56 |
34617 | Cn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | c15ccc(Cl)cc1.Cn1nnc4n1.C3(=O)C5.N34 |
34618 | CNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc2ccccc12 | [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][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15cccc2ccccc12.CN3.C45 |
34619 | Cc1nc(NC(=O)c2cccnc2)ccc1Br | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | Cc1nc4ccc1Br.c15cccnc1.C35=O.N34 |
34620 | CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C] | c17nc2sc(C)c(C)c2c(=O)n1C.C3(=O)C6.N345.CC4.C5C.S67 |
34621 | Cc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2[nH]1.Cc1cccc5c1.N15CC6CC1=O |
34622 | CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring1][S] | c18nc5cc(C)n1.c16ccc(=O)n(C)n1.C3(=O)C7.CC4.O34.S78.O56 |
34623 | CCn1c(NCc2ccc(OC)cc2OC)nc2ccccc21 | [C][C][N][C][Branch1][P][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n17c6nc2ccccc21.c18ccc3cc14.CC7.N56.C58.O3C.O4C |
34624 | COc1ccccc1C(=O)CSc1nnc(-c2cnccn2)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C] | c13ccccc15.c16nnc7n1C.c17cnccn1.C5(=O)C4.CO3.S46 |
34626 | COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c17nnc8n1C.c18cccs1.C6(=O)C5.CO4.S57 |
34627 | CC(C)(C)N(Cc1ccccc1)C(=O)C1COc2ccccc2O1 | [C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c17ccccc1.CC4(C)C.N345.C36=O.C57 |
34628 | COc1cccc(CSc2nnc(-c3ccncc3)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17nnc8n1N.c18ccncc1.CO4.C56.S57 |
34629 | COc1ccc(C(=O)N2CCC(c3ccccc3)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc7cc16.N14CCC8C1.c18ccccc1.C47=O.CO5.O6C |
34630 | c1cncc(-c2nnc3sc(-c4cccs4)nn23)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c16nnc2sc5nn12.c1cncc6c1.c15cccs1 |
34631 | Nn1c(SCc2cccc(F)c2)nnc1-c1ccco1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Nn1c5nnc16.c14cccc(F)c1.c16ccco1.S35.C34 |
34632 | CCCn1nnc(NC(=O)c2ccc(OC)c(Cl)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][Ring1][P] | c16ccc4c(Cl)c1.n17nnc5n1.CCC7.C36=O.N35.O4C |
34634 | CCOC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c19cc6cc7c1.C18CCN4CC1.C38=O.C49=O.CC5.O35.O6C.O7C |
34635 | Cc1ccccc1CSc1nnc(-c2cccnc2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C] | Cc1ccccc14.c15nnc6n1C.c16cccnc1.C34.S35 |
34636 | Nn1c(SCc2c(F)cccc2F)nnc1-c1ccccn1 | [N][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14c(F)cccc1F.Nn1c5nnc16.c16ccccn1.S35.C34 |
34637 | C=C(C)CSc1nnc(-c2ccc(OC)cc2)n1N | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][N] | c15nnc6n1N.c16ccc3cc1.C=C(C)C4.S45.O3C |
34640 | c1ccc(-c2nnc3sc(C4CCCCC4)nn23)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][N][=C][Ring2][Ring1][Ring2] | c15nnc2sc6nn12.c1ccc5nc1.C16CCCCC1 |
34641 | CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C] | c16nnc7n1C.c17ccccn1.C3(=O)C5.CC4C.O34.S56 |
34642 | COC(=O)CSc1nnc(-c2ccncc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][N] | c15nnc6n1N.c16ccncc1.C3(=O)C4.CO3.S45 |
34643 | CCOc1ccc(C2CC(c3ccccc3)Nc3ncnn32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC6Nc3ncnn32)cc1.c16ccccc1.CC4.O45 |
34644 | Cn1c(SCc2c(F)cccc2F)nnc1-c1ccccn1 | [C][N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14c(F)cccc1F.Cn1c5nnc16.c16ccccn1.S35.C34 |
34645 | CC(=O)N1c2ccc(F)cc2C2OCCC2C1c1ccco1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | N13c2ccc(F)cc2C2OCCC2C14.c14ccco1.CC3=O |
34647 | N#Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2N)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc5cc1.c16nnc7n1N.c17ccc(F)cc1.C45.S46 |
34648 | COC(=O)CSc1nnc(-c2ccc(OC)cc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][N] | c16nnc7n1N.c17ccc4cc1.C3(=O)C5.CO3.S56.O4C |
34649 | CCOc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c18nn2c7nnc2s1.c16ccc8cc1.c17ccccn1.CC5.O56 |
34650 | COc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC | [C][O][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][O][C] | c17nn2c8nnc2s1.c15ccc7cc16.c18ccncc1.CO5.O6C |
34651 | NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][N] | c14nnc5n1N.c15cccc(Cl)c1.NC(=O)C3.S34 |
34653 | CCn1c(SCC(N)=O)nnc1-c1cccs1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | n13c4nnc15.c15cccs1.C2C(N)=O.CC3.S24 |
34654 | CCOn1c(SCC)nc2ccccc2c1=O | [C][C][O][N][C][Branch1][Ring2][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | O3n1c5nc2ccccc2c1=O.CC3.S45.C4C |
34655 | CCCc1nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12 | [C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][Ring1][=N] | c14nc2ccccc2n2cc3c(=O)n(C)c(=O)n(C)c3c12.CCC4 |
34656 | Cc1[nH]c2ccccc2c1C(=O)COc1cccc2cccnc12 | [C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | Cc1[nH]c2ccccc2c15.c14cccc2cccnc12.C5(=O)C3.O34 |
34657 | COc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1] | c17nc2ccccc2n1C.c15cccc6c1.N16CC7CC1=O.CO5 |
34658 | C=CCn1c(SCc2ccccc2C)nnc1-c1cnccn1 | [C][=C][C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n14c6nnc17.c15ccccc1C.c17cnccn1.C=CC4.S36.C35 |
34659 | COc1ccc2c(c1)[nH]c1c(N3CCCC(C)C3)ncnc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][P] | c14ccc2c(c1)[nH]c1c5ncnc12.N15CCCC(C)C1.CO4 |
34660 | Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Nn1c5nnc16.c14ccc(F)cc1.c16ccccn1.S35.C34 |
34661 | Cn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15ccc(Cl)cc1Cl.Cn1nnc4n1.C35=O.N34 |
34662 | CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C)cc3)ccc2c1=O | [C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][C][Ring2][Ring1][Branch1][=O] | n17c(=O)[nH]c2cc6ccc2c1=O.c15ccc(C)cc1.C46=O.CC7.N45 |
34663 | Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccn1 | [N][N][C][Branch1][P][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15cccc2ccccc12.Nn1c6nnc17.c17ccccn1.S46.C45 |
34665 | CCOC(=O)c1sc2nc3c(cc2c1N)COC(C(C)C)C3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=N] | c16sc2nc3c(cc2c1N)COC7C3.C46=O.C7(C)C.CC5.O45 |
34666 | CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n15c6nnc17.c14ccccc1.c17cnccn1.C3C4=O.CC5.S36 |
34668 | CCOC(=O)C1(c2nc(N)cs2)COC(=O)C1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][O][C][=N][C][Branch1][C][N][=C][S][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][Ring1][N] | C156COC(=O)C1.c16nc(N)cs1.C35=O.CC4.O34 |
34669 | Cc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nnc7n1C.c17ccccn1.C45.S46 |
34671 | Cn1c(SCc2cccc3ccccc23)nnc1-c1cnccn1 | [C][N][C][Branch1][P][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][N][=C][Ring1][P][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15cccc2ccccc12.Cn1c6nnc17.c17cnccn1.S46.C45 |
34673 | COc1cccc(CSc2nnc(-c3ccco3)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c17nnc8n1N.c18ccco1.CO4.C56.S57 |
34674 | Clc1ccccc1C1CC(c2cccs2)n2ncnc2N1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][=C] | C13CC(c2cccs2)n2ncnc2N1.Clc1ccccc13 |
34675 | CCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21 | [C][C][N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccc(C)cc1.CC4 |
34677 | CC1=Nn2c(nnc2-c2cccc(Cl)c2)SC1 | [C][C][=N][N][C][=Branch1][P][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][Ring1][S] | CC1=Nn2c3nnc2SC1.c13cccc(Cl)c1 |
34678 | O=c1nc2oc3ccccc3cc-2c(=O)n1Cc1ccccc1 | [O][=C][N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1nc2oc3ccccc3cc-2c(=O)n14.c15ccccc1.C45 |
34679 | Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N | [C][C][=N][N][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Ring1][S][=C][Ring2][Ring1][Ring1][C][#N] | Cc1nn2c(C)c6cnc2c1C#N.c15ccccc1.C46=O.N45 |
34680 | COc1ccc(C(=O)Nc2nnn(C)n2)cc1Cl | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c14ccc6cc1Cl.c15nnn(C)n1.C36=O.CO4.N35 |
34681 | Cn1c(SCc2ccc(F)cc2)nnc1-c1cccnc1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(F)cc1.c16cccnc1.S35.C34 |
34682 | Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC(c1ccccc1)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1ccc(Cl)cc1)CC3N2.c13ccccc1 |
34684 | Cc1cccc(OCC(=O)N(C)CCc2ccccn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c17ccccn1.C4C3=O.N36C.C6C7.O45 |
34685 | COc1cccc(OC)c1-c1nn2c(-c3ccco3)nnc2s1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N] | c17nn2c6nnc2s1.c14cccc5c17.c16ccco1.CO4.O5C |
34686 | Cc1cccc(N2CC(c3nc4ccccc4n3C)CC2=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1] | c16nc2ccccc2n1C.Cc1cccc5c1.N15CC6CC1=O |
34687 | CCn1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n13c4nnc15.C2C(=O)C(C)(C)C.c15cccnc1.CC3.S24 |
34688 | Nc1nc2n(n1)C(c1cccc(Cl)c1)CC(c1ccccc1)N2 | [N][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2] | Nc1nc2n(n1)C(c1cccc(Cl)c1)CC3N2.c13ccccc1 |
34689 | Cc1ccc(C2CC(c3ccccc3)Nc3nc(N)nn32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C2CC4Nc3nc(N)nn32)cc1.c14ccccc1 |
34690 | CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n13c4nnc15.C2C(=O)C(C)(C)C.c15ccccn1.CC3.S24 |
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