ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15815 | CCn1ccnc1C(O)c1cccc2ccccc12 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.n13ccnc14.C45O.CC3 |
15817 | COc1ccc(C(=O)Nc2ccccc2Br)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S][O][C] | c14ccc7cc15.c16ccccc1Br.C37=O.CO4.N36.O5C |
15819 | Cn1cnc2cc(NC(=O)c3ccccc3)ccc21 | [C][N][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | Cn1cnc2cc5ccc21.c16ccccc1.C46=O.N45 |
15820 | COc1cc(C(O)c2nc3ccccc3n2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c17nc2ccccc2n1C.c14cc8cc5c16.C78O.CO4.O5C.O6C |
15822 | CC(=O)Nc1nc2sc(C)c(C)c2c(=O)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][S][Ring1][N] | c14nc2sc(C)c(C)c2c(=O)s1.CC3=O.N34 |
15823 | Cc1sc2nc(NC(=O)Cc3ccccc3)sc(=O)c2c1C | [C][C][S][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2nc5sc(=O)c2c1C.c16ccccc1.C4(=O)C6.N45 |
15824 | COc1ccc(C(O)c2cnc(C(C)C)n2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][=C][Ring1][P][O][C] | c13ccc7cc14.c15cnc6n1C.C57O.C6(C)C.CO3.O4C |
15825 | CCOc1ccc(C(O)Cc2nc3ccccc3n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | c16nc2ccccc2n1C.c15ccc7cc1.C7(O)C6.CC4.O45 |
15826 | CC1(C)Nc2ccccc2N(Cc2ccccc2)C1=O | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | CC1(C)Nc2ccccc2N(C3)C1=O.c13ccccc1 |
15827 | CN1c2ccccc2N(Cc2ccccc2)C(=O)C1(C)C | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Branch1][C][C][C] | CN1c2ccccc2N(C3)C(=O)C1(C)C.c13ccccc1 |
15828 | CN1C(=O)C(C)(C)N(Cc2ccccc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CN1C(=O)C(C)(C)N3c2ccccc21.c14ccccc1.C34 |
15830 | CC1(O)c2ccccc2C(=O)N1Cc1ccccc1 | [C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(O)c2ccccc2C(=O)N13.c14ccccc1.C34 |
15831 | CC(C)(C)C(=O)NC(n1cnccc1=O)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=N][C][=C][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | n14cnccc1=O.CC(C)(C)C2=O.C34C(Cl)(Cl)Cl.N23 |
15833 | CC(C)(C)C(=O)NC(n1ccc(=O)[nH]c1=O)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | n14ccc(=O)[nH]c1=O.CC(C)(C)C2=O.C34C(Cl)(Cl)Cl.N23 |
15835 | Cc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5ccc16.c18ccccc1F.c17ccco1.C38=O.C47=O.N35.N46 |
15836 | Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc5ccc16.c18cccnc1.c17ccco1.C38=O.C47=O.N35.N46 |
15837 | CC(C)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.CC(C)C3=O.c17ccco1.C47=O.N35.N46 |
15838 | O=C(COc1ccc(Cl)cc1Cl)N1CCCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][Ring1][Branch1] | c14ccc(Cl)cc1Cl.N12CCCC1.O=C2C3.O34 |
15839 | O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | S4(=O)(=O)c1ccccc1.c15ccc6cc1.c17ccco1.O=C37.N35.N46 |
15840 | Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.Cc1cccc(C)c14.C35=O.N34 |
15841 | Cc1ccc2cccc(OC(=O)c3ccc4c(c3)OCCO4)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | Cc1ccc2cccc6c2n1.c17ccc2c(c1)OCCO2.C57=O.O56 |
15842 | CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c15ccc6cc1.c16nc7no1.c17ccncc1.CC4.O45 |
15843 | Clc1ccccc1-c1nc(-c2ccccn2)no1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | Clc1ccccc14.c14nc3no1.c13ccccn1 |
15844 | CCOc1ccc(-c2nc(-c3ccccn3)no2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c15ccc7cc1.c17nc6no1.c16ccccn1.CC4.O45 |
15845 | CC(C)(C)C(=O)NC(n1cccnc1=O)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | n14cccnc1=O.CC(C)(C)C2=O.C34C(Cl)(Cl)Cl.N23 |
15846 | COC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 | [C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][C][=C][Ring1][N] | c14ccc(S(=O)(=O)C(F)F)cc1.C23=O.CO2.N34 |
15847 | COc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc5cc1.n16nnc7n1.c17ccccc1.C5(=O)C6.CO4 |
15851 | O=C(COc1ccc(Br)cc1)NCc1ccco1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Br)cc1.c16ccco1.O=C2C3.O34.N25.C56 |
15852 | COc1ccc(C(=O)NC(O)C(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccccc1.C5(O)C7=O.C36=O.CO4.N35 |
15853 | CC(C)(C)C(=O)NC(Nc1ncccn1)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | CC(C)(C)C2=O.C34C(Cl)(Cl)Cl.c15ncccn1.N23.N45 |
15855 | Cc1nnc(SCC(=O)NCc2ccccc2)c2ccccc12 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nnc7c2ccccc12.c16ccccc1.C5C3=O.S57.N34.C46 |
15858 | Cc1csc(CC(=O)c2ccc(O)c(C)c2O)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][O][=N][Ring1][P] | c13ccc(O)c(C)c1O.Cc1csc4n1.C4C3=O |
15860 | Cc1cc(O)c(C(=O)Cc2csc(C)n2)c(O)c1 | [C][C][=C][C][Branch1][C][O][=C][Branch1][S][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][P] | Cc1cc(O)c3c(O)c1.c14csc(C)n1.C3(=O)C4 |
15861 | O=C(Cc1nncn1-c1ccccc1)c1ccc(O)cc1O | [O][=C][Branch1][P][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c12ccc(O)cc1O.c13nncn14.c14ccccc1.O=C2C3 |
15862 | CC(=O)Oc1ccc2cc(-c3ccc4c(c3)OCCO4)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2cc7c(=O)oc2c1.c17ccc2c(c1)OCCO2.CC5=O.O56 |
15864 | O=C(Cc1ccc2c(c1)OCCCO2)c1ccc(O)cc1O | [O][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc2c(c1)OCCCO2.c13ccc(O)cc1O.O=C3C4 |
15867 | O=C(Cc1ccc2c(c1)OCCCO2)c1c(O)cc(O)cc1O | [O][=C][Branch2][Ring1][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O] | c14ccc2c(c1)OCCCO2.c13c(O)cc(O)cc1O.O=C3C4 |
15868 | Cc1cc(=O)n(-c2cccc(C(F)(F)F)c2)n1C | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Ring1][S][C] | Cc1cc(=O)n4n1C.c14cccc3c1.C3(F)(F)F |
15869 | COc1cccc(OC)c1C(=O)Nc1cccc(C)c1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c13cccc4c16.c15cccc(C)c1.C26=O.CO3.O4C.N25 |
15870 | O=C(Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.n14nnc5n1.c15ccccc1.O=C3C4 |
15871 | COC(=O)C1=C(C)NC(=O)CC1c1cccc(F)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC13.c13cccc(F)c1.CO2 |
15873 | CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)C1CCCCC1 | [C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][C][C][C][C][C][C][Ring1][=Branch1] | c17cc2cc4ccc2oc1=O.C16CCCCC1.N356.C37=O.CC5.O4C |
15874 | Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C#N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][=C][Ring2][Ring1][Branch1] | c16nc(C)cc(C)c1C#N.Cc1cccc5c1.C3(=O)C4.N35.S46 |
15875 | Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | c17nc2c(cc1C#N)CCC2.Cc1cccc6c1.C4(=O)C5.N46.S57 |
15876 | COc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c15cccc6c1.c17ccc8cc1.n18cnnn1.C47=O.CO5.N46 |
15877 | CCOc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] | c15nc(C)cc(C)c17.c14ccc6cc1.C7(N)=O.CC3.O34.N56 |
15878 | Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)c5c3n1.c14cccc(Cl)c1.C5(N)=O.N34 |
15879 | N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][P] | N#Cc1cc2c(nc16)CCC2.c15nccs1.C4C3=O.S46.N35 |
15880 | Cc1sc2ncn(-c3ccc(Cl)cc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncn4c(=O)c2c1C.c14ccc(Cl)cc1 |
15881 | N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc16)CCCC2.c15nccs1.C4C3=O.S46.N35 |
15884 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1 | [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] | c15ccccc1.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
15885 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCCCC1.c15ccccc1.CS4(=O)=O.C3C2=O.N345 |
15886 | Cc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456 |
15887 | Cc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc6cc1C.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456 |
15888 | Cc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1C | [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][=C][Ring2][Ring1][Ring2][C] | Cc1ccc6cc1C.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456 |
15891 | COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c16ccc(S(N)(=O)=O)cc1.c14ccc7cc15.C37=O.CO4.N36.O5C |
15892 | CCc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc4c5c1.c18ccc6cc1.C37=O.CC8.N36.O4C.O5C |
15894 | COc1ccc(C(O)C(C)c2nc3ccccc3n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2] | c15nc2ccccc2n1C.c14ccc6cc1.C6(O)C5C.CO4 |
15895 | COc1cc(NC(=O)c2ccco2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][Cl] | c14cc6c5cc1Cl.c17ccco1.C37=O.CO4.N36.O5C |
15896 | COc1ccccc1C(O)c1nc2ccccc2n1C(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C] | c15nc2ccccc2n14.c13ccccc16.C56O.C4(C)C.CO3 |
15898 | COc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][O][C] | c17nc2ccccc2n16.c14cccc8c15.C78O.C6(C)C.CO4.O5C |
15899 | O=S(=O)(Nc1ccc(F)cc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13ccc(F)cc1.N23 |
15901 | CC1CSc2nc3sc4c(c3c(=O)n21)CCCC4 | [C][C][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring1][=N][C][C][C][C][Ring1][#Branch2] | CC1CSc2nc3sc4c(c3c(=O)n21)CCCC4 |
15902 | O=C(NCC1CCCO1)c1cccc(NC(=O)c2cccs2)c1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.C19CCCO1.c17cccs1.O=C38.C47=O.N35.C59.N46 |
15903 | Nc1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=C][Ring2][Ring1][Branch2] | Nc1cccc8c1.c16cccc9c1.C17CCCCC1.C48=O.C59=O.N46.N57 |
15904 | COc1ccc(C(=O)N2CCCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.N13CCCCCC1.C36=O.CO4.O5C |
15905 | CCc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ccccc14.c16ccc5cc1.C26=O.C3(C)=O.CC7.N24.N35 |
15906 | Cc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)CN3)cc1.c14ccccc1.C34=O |
15908 | O=C(Nc1ccccc1Br)c1ccco1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc1Br.c14ccco1.O=C24.N23 |
15909 | COc1cc(C(=O)N2CCCC(C(F)(F)F)C2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc7cc5c16.N13CCCC8C1.C8(F)(F)F.C37=O.CO4.O5C.O6C |
15911 | CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc(S6(=O)=O)cc1.c17ccc8cc1.C38=O.CC4.O45.N67.O3C |
15913 | C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] | S6(=O)(=O)c1ccc7cc1.N13CCCC1.C=CC4.N456.C5C=C.C37=O |
15914 | [O-][S+](c1ccc2ccccc2c1)N1CCOCC1 | [O-1][S+1][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | [O-][S+](c1ccc2ccccc2c1)N1CCOCC1 |
15915 | CC(=O)Oc1cccc(N2Cc3ccccc3C2=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][Ring1][S] | N16Cc2ccccc2C1=O.c15cccc6c1.CC4=O.O45 |
15916 | Cc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)n3c(=O)n14.c15ccccc1.c16ccccc1.C35.C46 |
15917 | Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Br | [C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][N][Br] | Cc1[nH]c(=O)n2c(=O)c1Br.C2(C)(C)C |
15918 | Cc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1 | [C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c(Br)c(=O)[nH]c(=O)n12.c13ccccc1.C23 |
15922 | O=C(Nc1ccccc1)N1CC2CC(C1)c1cccc(=O)n1C2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N] | N14CC2CC(C1)c1cccc(=O)n1C2.c15ccccc1.O=C34.N35 |
15923 | Cc1cccc(NC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][N][=C][Ring2][Ring1][#Branch1] | N15CC2CC(C1)c1cccc(=O)n1C2.Cc1cccc6c1.C45=O.N46 |
15931 | Cc1cc(C)c(NC(=O)CSc2nnc(C)s2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(C)c1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
15932 | Cc1cc(C)c(NC(=O)CSc2nnnn2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1cc(C)c5c(C)c1.c16nnnn1C.C3(=O)C4.N35.S46 |
15933 | COc1ccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc7cc1.c17nnc6n15.c15ccccc1.C4C(N)=O.CO3.S46 |
15934 | CSc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][C] | N4C1=NS(=O)(=O)c2ccccc21.c15cccc4c1.CS5 |
15935 | O=C(COC(=O)c1cccnc1)c1ccc(Br)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c15cccnc1.O=C4C3.C25=O.O23 |
15936 | O=C(COC(=O)c1ccco1)c1ccc(Br)cc1 | [O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.c14ccco1.O=C5C3.C24=O.O23 |
15937 | Cc1ccccc1OCC(=O)OCC(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc15.c16ccccc1.C3C2=O.C4C6=O.O35.O24 |
15939 | CC(=O)Nc1scc(-c2ccc3c(c2)OCO3)c1C#N | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Ring1][=C][C][#N] | c16ccc2c(c1)OCO2.c15scc6c1C#N.CC4=O.N45 |
15942 | C=CCN(CC=C)C(=O)c1ccc(OC)c(OC)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c17ccc3c4c1.C=CC5.N256.C6C=C.C27=O.O3C.O4C |
15944 | O=C(Nc1ccc(Cl)cc1Cl)c1ccco1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][O][Ring1][Branch1] | c13ccc(Cl)cc1Cl.c14ccco1.O=C24.N23 |
15945 | Cc1ccc(NC(=O)c2ccco2)c(Br)c1 | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][#C] | Cc1ccc4c(Br)c1.c15ccco1.C35=O.N34 |
15947 | O=C(Oc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc6cc1.c18ccncc1.c17ccncc1.O=C37.C48=O.O35.O46 |
15948 | Cc1ccc(NC(=O)c2ccncc2)c(Br)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][S] | Cc1ccc4c(Br)c1.c15ccncc1.C35=O.N34 |
15949 | COc1ccccc1N1C(=O)CN=C1Nc1nc(C)cc(C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | N14C(=O)CN=C1N3.c13nc(C)cc(C)n1.c12ccccc14.CO2 |
15950 | O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c16cccc5c1.c18ccco1.c17ccco1.O=C47.C38=O.N46.O35 |
15951 | O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccc5cc1.c18ccncc1.c17ccncc1.O=C47.C38=O.N46.O35 |
15954 | CC(C)(Cc1ccc(O)cc1)NC(=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(O)cc1.c14ccccc1.CC3(C)C5.C24=O.N23 |
15955 | CCOC(=O)C=C1NC2(CCCC2)Cc2cc(OC)c(OC)cc21 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring2][Ring1][C] | C1=7NC2(CCCC2)Cc2cc5c6cc21.C3(=O)C=7.CC4.O34.O5C.O6C |
15956 | COc1cc2c(cc1OC)-c1nnc(C)n1C1(CCCC1)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C] | c13cc2c(cc14)-c1nnc(C)n1C1(CCCC1)C2.CO3.O4C |
15957 | Cc1ccn(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 | [C][C][C][=C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][S][Ring1][#C][N][=Ring2][Ring1][=Branch1] | c15cc2c(C)nn6c2s1.Cc1ccn(C5=O)n1.c16ccccc1 |
15958 | O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N16C(=O)c2ccccc2S1(=O)=O.c15ccccc1.O=C35.C4C6.O34 |
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