ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
42709 | Cc1ccc(-c2csc3ncn(-n4cccc4)c(=O)c23)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][S][C][N][=C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][N][O][Ring2][Ring1][Ring2] | c15csc2ncn(-n3cccc3)c(=O)c12.Cc1ccc5o1 |
42710 | N#CCc1ccc(NC(=O)CCSc2ccccc2)cc1 | [N][#C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c17ccccc1.C3(=O)CC4.N#CC6.N35.S47 |
42711 | CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.CC4C.C36=O.N34 |
42712 | NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c15ccc(Cl)cc1Cl.C14CCN3CC1.NC4=O.C35=O |
42714 | COc1ccccc1C(=O)NCc1ccc(F)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccccc15.c16ccc(F)cc1.C25=O.CO3.N24.C46 |
42715 | O=S(=O)(c1ccc(-c2cn3cccnc3n2)cc1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | O=S4(=O)c1ccc5cc1.c15cn2cccnc2n1.N14CCCCC1 |
42716 | O=C(CSc1nnc2ccc3ccccc3n12)NCc1ccco1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c18nnc2ccc3ccccc3n12.c17ccco1.O=C4C6.S68.N45.C57 |
42717 | O=C(CSc1nnc2ccc3ccccc3n12)NCC1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][Ring1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1] | c18nnc2ccc3ccccc3n12.C17CCCO1.O=C4C6.S68.N45.C57 |
42719 | Cc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C][Cl] | Cc1ccc4cc1Cl.C2C(N)=O.S3(C)(=O)=O.N234 |
42720 | O=C(Nc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16ccccc17.c15ccccc1.N14CCCC1.O=C23.C47=O.N25.N36 |
42721 | COc1ccc(-c2nc3n(n2)CC(O)CS3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][Branch1][C][O][C][S][Ring1][Branch2][C][=C][Ring1][S][O][C] | c16nc2n(n1)CC(O)CS2.c14ccc6cc15.CO4.O5C |
42722 | CC1(C)CNC(=C2C(=O)OC(C)(C)OC2=O)NC1 | [C][C][Branch1][C][C][C][N][C][=Branch2][Ring1][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][=O][N][C][Ring1][P] | CC1(C)CNC(=C2C(=O)OC(C)(C)OC2=O)NC1 |
42723 | COc1ccc(-c2nc3n(n2)CC(OC(C)=O)CS3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][S][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c18nc2n(n1)CC5CS2.c16ccc8cc17.C4(C)=O.CO6.O45.O7C |
42724 | COc1ccc(C(C#N)c2cncc3nncn23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Ring1][C][#N][C][=C][N][=C][C][=N][N][=C][N][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C] | c16cncc2nncn12.c14ccc7cc15.C67C#N.CO4.O5C |
42725 | CCc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc(S5(=O)=O)cc1.N15CCN3CC1.C34=O.N4(C)C.CC6 |
42726 | O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(=O)[nH]c1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1] | c16ccc4cc1.c17ccc(=O)[nH]c1.c15ccccc1.O=C37.N36.O45 |
42727 | Cc1nnc(SCC(=O)NC(C)(C)C)n1Cc1ccccc1 | [C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n15.c16ccccc1.C4C2=O.C3(C)(C)C.S47.N23.C56 |
42729 | Cc1n[nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12 | [C][C][=N][NH1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][Ring1][=C] | Cc1n[nH]c2nc3cc4c12.C3(F)(F)F.C4(F)(F)F |
42730 | O=C(c1ccccc1C(=O)N1CCCCC1)N1CCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c14ccccc15.N13CCCCC1.N12CCCCC1.O=C24.C35=O |
42731 | CCCn1nnc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][=N][Ring2][Ring1][C] | c16cc(Cl)cc(Cl)c14.n17nnc5n1.CCC7.C36=O.N35.O4C |
42732 | CC(C)(C)c1ccc(-c2cc3ncc(C#N)c(N)n3n2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Ring1][=Branch2][N][=Ring1][N][C][=C][Ring2][Ring1][C] | c15cc2ncc(C#N)c(N)n2n1.c14ccc5cc1.CC4(C)C |
42735 | COc1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][P] | c13cccc(S4(=O)=O)c1.N14CC(C)CC(C)C1.CO3 |
42736 | COc1ccc(NC(=O)C(C)Oc2ccccc2OC)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2][Cl] | c15ccc8cc1Cl.c16ccccc17.C3(=O)C4C.CO5.N38.O46.O7C |
42737 | COc1ccc(NC(=O)C(C)Oc2ccc(F)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc8c7c1.c16ccc(F)cc1.C3(=O)C4C.CO5.N38.O46.O7C |
42738 | Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCOCC3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16ccc(=O)n5n1.Cc1ccc6cc1.N14CCOCC1.C5C4=O |
42739 | CC1CC(C)CN(S(=O)(=O)c2c(F)cccc2F)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C] | S3(=O)(=O)c1c(F)cccc1F.CC1CC(C)CN3C1 |
42740 | CC1CCCC(C)N1S(=O)(=O)c1c(F)cccc1F | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | S2(=O)(=O)c1c(F)cccc1F.CC1CCCC(C)N12 |
42742 | O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S3(=O)c1cccc2cccnc12.c14ccc(F)c(Cl)c1.N34 |
42743 | Cc1ccc(-c2c(C)sc3ncn4nnnc4c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][S][C][N][=C][N][N][=N][N][=C][Ring1][Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c15c(C)sc2ncn3nnnc3c12.Cc1ccc5cc1 |
42744 | CS(=O)(=O)n1c(Cc2ccccc2)nc2ccccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | CS(=O)(=O)n1c3nc2ccccc21.c14ccccc1.C34 |
42745 | O=c1oc2ccccc2cc1-c1nc2cccnc2[nH]1 | [O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | O=c1oc2ccccc2cc13.c13nc2cccnc2[nH]1 |
42746 | CC(=O)N1CC(C)(C)Cn2c(-c3cnccn3)nnc21 | [C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][Ring1][P] | N14CC(C)(C)Cn2c5nnc21.c15cnccn1.CC4=O |
42748 | CC1(C)CN(CO)c2nnc(-c3cnccn3)n2C1 | [C][C][Branch1][C][C][C][N][Branch1][Ring1][C][O][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][Ring2][Ring1][C] | CC1(C)CN(CO)c2nnc4n2C1.c14cnccn1 |
42749 | CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2c(oc5cc2=O)C1c1cccnc1.CC4.O34.C5O |
42751 | O=C(Nc1ccc(Br)cc1)c1cc(=O)[nH]c2ccccc12 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15cc(=O)[nH]c2ccccc12.c14ccc(Br)cc1.O=C35.N34 |
42752 | COc1ccccc1OC(C)C(=O)Nc1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Cl)cc1.C3(C)C2=O.CO4.O35.N26 |
42753 | CSc1nnc(COc2ccc(Cl)cc2Cl)o1 | [C][S][C][=N][N][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring1][#C] | c14ccc(Cl)cc1Cl.c16nnc5o1.CS6.C35.O34 |
42754 | CN(C)C(=O)Cc1coc2ccc3ccccc3c12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][=N][Ring1][#Branch2] | c15coc2ccc3ccccc3c12.C4(=O)C5.CN4C |
42755 | COC(=O)c1sc(NC(=O)COc2c(C)cccc2C)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][C][=Ring2][Ring1][C][C] | c16c(C)cccc1C.c18sc7nc1C.C4(=O)C5.C38=O.CO3.N47.O56 |
42756 | CS(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)ccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | N16CCc2cc7ccc21.c18ccccc1.CS6(=O)=O.C47=O.N45.C58 |
42757 | O=C(COC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(=O)[nH]c1.c14ccc(Br)cc1.O=C4C3.C25=O.O23 |
42758 | N#Cc1c(SCC(N)=O)nnc(-c2ccccc2)c1-c1ccccc1 | [N][#C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | N#Cc1c4nnc5c16.c15ccccc1.c16ccccc1.C3C(N)=O.S34 |
42759 | CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c14ccc(F)cc1.c17ccncc1.C3C4=O.CC5.S36 |
42761 | COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19ccccc1N.C5(=O)C6.C38=O.C49=O.CO3.N57.O46 |
42762 | CC(C)NC(=O)c1ccccc1NS(C)(=O)=O | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc15.S4(C)(=O)=O.CC3C.C26=O.N23.N45 |
42763 | CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1] | c17cccc5c1.n18nnc6n1.C4C(C)C.CCC8.C37=O.N36.O45 |
42764 | OCC1OC(Nc2ccc(Br)cc2)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][Ring1][=C][O] | C15OC4C(O)C1O.c13ccc(Br)cc1.OC5.N34 |
42766 | O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1N1CCOCC1 | [O][=C][Branch1][=C][C][S][C][=N][C][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c16nccc(=O)[nH]1.c14ccccc15.N15CCOCC1.O=C2C3.S36.N24 |
42768 | O=C1OCCC1Sc1nnc(-c2cccc(Br)c2)o1 | [O][=C][O][C][C][C][Ring1][Branch1][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][Ring1][N] | c15cccc(Br)c1.O=C1OCCC14.c13nnc5o1.S34 |
42769 | O=C1OCCC1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 | [O][=C][O][C][C][C][Ring1][Branch1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P] | c13nc5c6o1.O=C1OCCC14.c15ccccc1.c16ccccc1.S34 |
42770 | Cn1cnnc1SCC(=O)c1ccc(C(C)(C)C)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c13ccc4cc1.Cn1cnnc15.C2C3=O.C4(C)(C)C.S25 |
42771 | Cc1ccc(C)c(C(=O)CSc2nnc(C)s2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | Cc1ccc(C)c4c1.c15nnc(C)s1.C4(=O)C3.S35 |
42772 | CC(=O)Nc1ccc(C(=O)CSc2nnc(C)s2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc6cc1.c17nnc(C)s1.C6(=O)C4.CC3=O.N35.S47 |
42773 | CC(=O)Nc1ccc(C(=O)CSc2nncn2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][S] | c15ccc6cc1.c17nncn1C.C6(=O)C4.CC3=O.N35.S47 |
42774 | Cn1cnnc1SCC(=O)c1cc2ccccc2oc1=O | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c14cc2ccccc2oc1=O.Cn1cnnc15.C3C4=O.S35 |
42775 | CC(=O)c1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][P] | c16cccc5c1.C3C2=O.S4(C)(=O)=O.CC6=O.N345.N2(C)C |
42776 | CN(C)S(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1 | [C][N][Branch1][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][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N34.c14ccccc1.N12CCCC1.C3C2=O |
42777 | CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c17cc5c8cc16.c19ccccc1.CCC3=O.C49=O.N37.O5C.N48.O6C |
42778 | Cc1cc(F)ccc1S(=O)(=O)N1CCCCC1 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cc1cc(F)ccc1S2(=O)=O.N12CCCCC1 |
42779 | CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc7cc1.c15ccc(Cl)cn1.CCCC3=O.C47=O.N36.N45 |
42780 | COc1cc(NS(=O)(=O)c2ccc(F)cc2C)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(F)cc1C.c13cc4cc6c1.CO3.N56.O4C |
42781 | CCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc7cc1.CCCC3=O.C18CCCO1.C47=O.N36.N45.C58 |
42782 | CCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c17ccc9cc1.N15CCC8CC1.CCCC4=O.C59=O.C38=O.N47.O36.C6C |
42783 | Cc1ccc(SCc2ccc(C(=O)N3CCOCC3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c17ccc6cc1.N14CCOCC1.C46=O.S58.C57 |
42784 | CSc1ccccc1C(=O)N(C)Cc1ccccc1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc14.c15ccccc1.C24=O.N23C.CS6.C35 |
42785 | CC(=O)c1cccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2] | c17cccc6c1.N13CCOCC1.C4C3=O.S5(C)(=O)=O.CC7=O.N456 |
42786 | O=C(NCc1ccccc1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.c15ccccc1.O=C24.N23.C35 |
42787 | O=C(COc1ccc(F)cc1)NCc1ccccc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(F)cc1.c16ccccc1.O=C2C3.O34.N25.C56 |
42788 | CCOC(=O)CSc1ncc(-c2ccccc2)nn1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N] | c16ncc7nn1.c17ccccc1.C3(=O)C5.CC4.O34.S56 |
42790 | CCOC(=O)C1C(=O)OC(C)(C)C1C(CC)C(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14C(=O)OC(C)(C)C16.C6(CC)C5=O.c15ccccc1.C24=O.CC3.O23 |
42791 | CCSc1ccccc1C(=O)Nc1ccncc1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccccc15.c14ccncc1.C25=O.CC3.S36.N24 |
42792 | Cc1ccc(C(=O)N2CCCCCC2)c(F)c1F | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S][F] | Cc1ccc4c(F)c1F.N13CCCCCC1.C34=O |
42793 | CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c17ccc6cc1.c15ccc(Cl)cn1.CC7=O.C34=O.N36.N45 |
42794 | CC1CCN(C(=O)c2ccc(Cl)c(F)c2F)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][F][C][C][Ring1][P] | c14ccc(Cl)c(F)c1F.CC1CCN3CC1.C34=O |
42796 | Cc1ccc(C(=O)N2CCC(C)CC2)c(F)c1F | [C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S][F] | Cc1ccc4c(F)c1F.N13CCC(C)CC1.C34=O |
42797 | C=CCN(CC=C)C(=O)Nc1ccc(C(C)=O)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c16ccc7cc1.C=CC4.N245.C5C=C.C23=O.C7(C)=O.N36 |
42798 | CS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][P] | c16ccc(F)cc1F.N15CCN3CC1.CS5(=O)=O.C34=O.N46 |
42800 | CCOC(=O)N1CCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1] | c17nc2c([nH]1)c(=O)n(C)c(=O)n2C.N15CCN7CC1.C45=O.CC6.O46 |
42801 | CC1(C)CC(=O)c2cnc(NCc3ccc(F)cc3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][#C][C][Ring2][Ring1][Branch1] | CC1(C)CC(=O)c2cnc5nc2C1.c16ccc(F)cc1.N45.C46 |
42802 | CC1=C(C(=O)Nc2ccccc2C)C2(CCCC2)C(C(N)=O)C(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C2(CCCC2)C5C(=O)N1.c14ccccc1C.C5(N)=O.N34 |
42803 | Cc1ccc2c(c1C)NC(=O)C2(O)CC(=O)c1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | Cc1ccc2c(c1C)NC(=O)C2(O)CC3=O.c13ccc2c(c1)OCO2 |
42804 | O=S1(=O)N=C(NCc2ccc(Cl)cc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c14ccc(Cl)cc1.C34 |
42805 | CC(Sc1n[nH]c(=O)n1-c1ccccc1)C(=O)Nc1nccs1 | [C][C][Branch2][Ring1][Ring2][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | c16n[nH]c(=O)n15.c15ccccc1.CC3C2=O.c14nccs1.S36.N24 |
42806 | CCC(NC(=O)c1ccccc1Br)c1ccccc1 | [C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1Br.c15ccccc1.CCC35.C24=O.N23 |
42807 | O=S1(=O)N=C(Nc2cccc(Cl)c2Cl)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c13cccc(Cl)c1Cl |
42808 | CC1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)C1 | [C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Branch1][C][C][C][Ring2][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.CC1CCN3C(C)C1.C35=O.N4(C)C |
42809 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1F | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | n15c(=O)oc2ccccc21.c14ccccc1F.O=C3C5.N34 |
42810 | COc1ccccc1OCC(=O)Nc1cc(C)ccc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F] | c16cc(C)ccc1F.c14ccccc15.C3C2=O.CO4.O35.N26 |
42811 | O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1Cl | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | n15c(=O)oc2ccccc21.c14cccc(Cl)c1Cl.O=C3C5.N34 |
42812 | Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)no1 | [C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=N][O][Ring2][Ring1][Branch1] | c17ccc6cc1.Cc1cc5no1.C4(=O)CC(C)C.C37=O.N35.N46 |
42813 | CCC(NC(=O)c1ccccc1O)c1ccccc1 | [C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1O.c15ccccc1.CCC35.C24=O.N23 |
42814 | Nc1nncn1C(=O)COc1ccc2ccccc2c1Br | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Br] | c14ccc2ccccc2c1Br.Nc1nncn1C(=O)C3.O34 |
42816 | COc1ccc(C(=O)CSc2nnc(CC(C)O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][O][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2] | c13ccc5cc1.c17nnc6n1C.C5(=O)C4.C6C(C)O.CO3.S47 |
42817 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1O | [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][C][=C][Ring1][=Branch1][O] | Cn1c7nnc18.c18ccccc1O.c16ccco1.C5C3=O.S57.N34.C46 |
42819 | CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccn1 | [C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc7cc1.c16ccccn1.CC3C2=O.C7(C)(C)C.O34.N25.C56 |
42821 | Cn1nnnc1SCC(=O)Nc1ccc(F)c(F)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.Cn1nnnc15.C3C2=O.S35.N24 |
42822 | Cc1cccc2sc(NC(=O)CSc3nnnn3C)nc12 | [C][C][=C][C][=C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1cccc2sc6nc12.c17nnnn1C.C4(=O)C5.N46.S57 |
42823 | CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1 | [C][C][=Branch1][C][=O][N][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] | c16cccc7c1.c18nnnn1C.C4(=O)C5.CC3=O.N36.N47.S58 |
42824 | Cn1nnnc1SCC(=O)Nc1ncccn1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cn1nnnc15.c14ncccn1.C3C2=O.S35.N24 |
42825 | Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 | [C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | Cn1c2c(c(=O)[nH]c1=O)C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 |
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