ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23858 | c1coc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)c1 | [C][=C][O][C][Branch2][Ring1][=C][C][=N][N][C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1] | C16COc2ccccc2O1.c17nn2c6nnc2s1.c1coc7c1 |
23859 | c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c18nn2c7nnc2s1.n16cnc2ccccc21.c1ccc8cc1.C67 |
23860 | c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)nc1 | [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][N][=C][Ring2][Ring1][Ring2] | c15nn2c6nnc2s1.c1ccc5nc1.c16ccncc1 |
23861 | CCOc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1 | [C][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] | c17nn2c8nnc2s1.c16ccc7cc1.c18ccncc1.CC5.O56 |
23865 | Cc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2sc5nn12.Cc1ccc6cc1.c15ccccn1 |
23866 | Cc1ccc(-c2nnc3sc(-c4cnccn4)nn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2sc5nn12.Cc1ccc6cc1.c15cnccn1 |
23867 | CCOC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1C | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C] | c16ccc2c(C)cc(=O)oc2c1C.C3(=O)C5C.CC4.O34.O56 |
23868 | CC(=O)Oc1ccc2c(C)c(CC(C)OC(C)=O)c(=O)oc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][N][C][C][Branch1][C][C][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c16ccc2c(C)c7c(=O)oc2c1.C7C5C.CC3=O.C4(C)=O.O36.O45 |
23869 | CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OC | [C][C][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][Branch1][C][C][=C][Ring1][=N][O][C] | c14cc2c(C)cc(=O)oc2c(C)c13.CCC4=O.O3C |
23870 | CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OC(C)=O | [C][C][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][Branch1][C][C][=C][Ring1][=N][O][C][Branch1][C][C][=O] | c15cc2c(C)cc(=O)oc2c(C)c14.CCC5=O.C3(C)=O.O34 |
23871 | CCC(=O)Oc1c(C(=O)CC)cc2c(C)cc(=O)oc2c1C | [C][C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][S][C] | c14c5cc2c(C)cc(=O)oc2c1C.CCC3=O.C5(=O)CC.O34 |
23872 | CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][Branch1][C][C][=O] | c16ccc2c(C)cc(=O)oc2c17.C3(=O)C5CC.C7(C)=O.CC4.O34.O56 |
23873 | CCOc1ccc2c(C)cc(=O)oc2c1C(=O)CC | [C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][C][=Branch1][C][=O][C][C] | c14ccc2c(C)cc(=O)oc2c15.C5(=O)CC.CC3.O34 |
23874 | CCC(=O)c1c(OC(C)=O)ccc2c(C)cc(=O)oc12 | [C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][S][=Ring1][Branch2] | c15c4ccc2c(C)cc(=O)oc12.CCC5=O.C3(C)=O.O34 |
23875 | O=c1[nH]c2ccccc2cc1CNc1ccccc1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1[nH]c2ccccc2cc15.c14ccccc1.C35.N34 |
23876 | O=c1[nH]c2ccccc2cc1CNc1ccc(Cl)cc1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1[nH]c2ccccc2cc15.c14ccc(Cl)cc1.C35.N34 |
23877 | Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc4cc1.C3(=O)CCC5=O.c15ccccc1.N34 |
23878 | Cn1c(=O)c2nc(-c3ccccc3)c(=O)n(C)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2nc4c(=O)n(C)c2n(C)c1=O.c14ccccc1 |
23879 | O=C(Nc1ccccc1COC(=O)c1ccco1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc18.c17ccco1.c16ccco1.O=C36.C27=O.N35.C48.O24 |
23880 | Cc1cc(C)c2c(n1)sc1c(=O)n(-c3ccccc3)c(=O)[nH]c12 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][=C][Ring2][Ring1][C] | Cc1cc(C)c2c(n1)sc1c(=O)n4c(=O)[nH]c12.c14ccccc1 |
23881 | CSc1nc2sc3c(c2c(=O)n1N)CCCC3 | [C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][C][Ring1][O] | c14nc2sc3c(c2c(=O)n1N)CCCC3.CS4 |
23883 | Cc1cc(-c2ccccc2)nc2oc3c(=O)n(C)cnc3c12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=Ring1][Branch2][C][Ring2][Ring1][Branch1][=Ring1][O] | Cc1cc4nc2oc3c(=O)n(C)cnc3c12.c14ccccc1 |
23884 | CC(=O)Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1 | [C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring1][=Branch2] | c15cc(=O)oc2c1c(=O)n1c3c(cccc23)CC1.CC4=O.O45 |
23885 | CC1=Nn2c(nc3sc4c(c3c2=O)CCCC4)SC1 | [C][C][=N][N][C][=Branch2][Ring1][Branch1][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][S][C][Ring2][Ring1][C] | CC1=Nn2c(nc3sc4c(c3c2=O)CCCC4)SC1 |
23887 | CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1N | [C][C][O][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][N] | c16nc2sc(C)c(C)c2c(=O)n1N.C3(=O)C5.CC4.O34.S56 |
23888 | CSc1nc2sc(-c3ccccc3)cc2c(=O)n1N | [C][S][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][N] | c14nc2sc5cc2c(=O)n1N.c15ccccc1.CS4 |
23889 | c1coc(-c2cn3nc(-c4ccco4)sc3n2)c1 | [C][=C][O][C][Branch2][Ring1][=Branch1][C][=C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][#Branch2][=N][Ring1][=N][=C][Ring2][Ring1][C] | c15cn2nc6sc2n1.c1coc5c1.c16ccco1 |
23890 | COc1cc(-c2nnc3n2C(=O)CS3)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c17nnc2n1C(=O)CS2.CO4.O5C.O6C |
23891 | Cc1ccc(-c2cc3c(c(N)c2C#N)c(=O)oc2ccccc23)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][N][=C][Ring1][#Branch1][C][#N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][O][Ring2][Ring1][#Branch1] | c14cc2c(c(N)c1C#N)c(=O)oc1ccccc12.Cc1ccc4o1 |
23892 | Cc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12 | [C][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Ring1][N] | Cc1nnc4c2nn5c(C)c12.N14CCOCC1.c15ccccc1 |
23893 | Cc1nnc(N2CCOCC2)c2nn(-c3cccc(Cl)c3)c(C)c12 | [C][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][Ring1][=N] | Cc1nnc4c2nn5c(C)c12.c15cccc(Cl)c1.N14CCOCC1 |
23894 | CCOc1nnc(C)c2c(C)n(-c3cccc(Cl)c3)nc12 | [C][C][O][C][=N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][Ring1][=N] | c15nnc(C)c2c(C)n6nc12.c16cccc(Cl)c1.CC4.O45 |
23895 | Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12 | [C][C][=N][N][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Ring1][=N] | Cc1nnc5c2nn6c(C)c12.c16ccccc1F.C4(C)C.O45 |
23896 | Cc1nn2cnnc2c2nn(-c3ccc(Cl)cc3)c(C)c12 | [C][C][=N][N][C][=N][N][=C][Ring1][Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][=N] | Cc1nn2cnnc2c2nn4c(C)c12.c14ccc(Cl)cc1 |
23897 | CCOc1ccc(-n2nc3c(c(C)nn4cnnc34)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][Branch1][#C][C][Branch1][C][C][=N][N][C][=N][N][=C][Ring1][#Branch2][Ring1][Branch1][=C][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | n17nc2c(c(C)nn3cnnc23)c1C.c16ccc7cc1.CC5.O56 |
23898 | CCOc1ccc(-n2nc3c(c(C)nn4c(C)nnc34)c2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=N][N][N][=C][C][Branch2][Ring1][C][C][Branch1][C][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][O][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | n17nc2c(c(C)nn3c(C)nnc23)c1C.c16ccc7cc1.CC5.O56 |
23899 | COc1cccc(-n2nc3c(c(C)nn4cnnc34)c2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][C][Branch1][#C][C][Branch1][C][C][=N][N][C][=N][N][=C][Ring1][#Branch2][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | n16nc2c(c(C)nn3cnnc23)c1C.c15cccc6c1.CO5 |
23900 | Cc1nn2cnnc2c2nn(-c3ccccc3F)c(C)c12 | [C][C][=N][N][C][=N][N][=C][Ring1][Branch1][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][=N] | Cc1nn2cnnc2c2nn4c(C)c12.c14ccccc1F |
23905 | COc1cc(OC)cc(C(=O)Nc2ccccc2C)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14cc5cc7c1.c16ccccc1C.C37=O.CO4.O5C.N36 |
23906 | CCOc1ccccc1NS(=O)(=O)c1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c13ccccc15.CC2.O23.N45 |
23907 | O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1 | [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][Ring1][=Branch1] | O=S2(=O)c1ccccc1.c13ccc(F)c(Cl)c1.N23 |
23908 | COc1ccc(CC(=O)Nc2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16cccc(C)c1.C7C3=O.CO4.N36.O5C |
23909 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(C)C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring1][P] | c16ccc7c5c1.C4(=O)CC(C)C.C26=O.C37=O.CO2.O3C.N45 |
23910 | CCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=C] | c15cc6cc7c1.CCCC4=O.C26=O.C37=O.N45.O2C.O3C |
23912 | Cc1c(NC(=O)C2CCCCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C] | Cc1c4c(=O)n6n1C.C15CCCCC1.c16ccccc1.C35=O.N34 |
23913 | CS(=O)(=O)Nc1ccccc1Oc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc12.c13ccccc1.CS4(=O)=O.N45.O23 |
23914 | COc1ccc(NC(=O)c2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c14ccc6cc15.c17cccc(C)c1.C37=O.CO4.N36.O5C |
23917 | Cc1ccnc(NC(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c15ccc(Cl)cc1Cl.Cc1ccnc4n1.C35=O.N34 |
23920 | CC(=O)Nc1ccc(NC(=O)Cc2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1F.C4(=O)C7.CC3=O.N35.N46 |
23922 | CCOc1cccc(NC(=O)Cc2ccccc2)c1 | [C][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] | c15cccc6c1.c17ccccc1.C3(=O)C7.CC4.O45.N36 |
23924 | COc1ccc(NS(=O)(=O)c2ccccc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1ccccc1C.c13ccc6c4c1.CO3.N56.O4C |
23925 | Cc1ccccc1S(=O)(=O)Nc1cccc(F)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1ccccc1S2(=O)=O.c13cccc(F)c1.N23 |
23926 | Cc1ccc(O)c(NS(=O)(=O)c2ccccc2C)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccccc1C.Cc1ccc(O)c4c1.N34 |
23927 | Cc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1 | [C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][P] | S3(=O)(=O)c1ccccc1.Cc1ccc4c(O)c1.N34 |
23930 | Cc1ccc(C(=O)Nc2cccc(C(C)O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c14cccc6c1.C35=O.C6(C)O.N34 |
23931 | Cc1cccc(C(=O)Nc2cccc(C(C)O)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][C] | Cc1cccc5c1.c14cccc6c1.C35=O.C6(C)O.N34 |
23933 | Cc1ccccc1S(=O)(=O)Nc1cccc(C(C)O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2] | Cc1ccccc1S2(=O)=O.c13cccc4c1.C4(C)O.N23 |
23934 | Cc1ccccc1C(=O)Nc1cccc(C(C)O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Ring1][=Branch2] | Cc1ccccc14.c13cccc5c1.C24=O.C5(C)O.N23 |
23936 | N#Cc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | S2(=O)(=O)c1cccc4c1.N#Cc1ccccc13.C4(F)(F)F.N23 |
23937 | Cc1ccc(S(=O)(=O)n2cnc3c(=O)[nH]c(N)nc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)n2cnc3c(=O)[nH]c(N)nc32)cc1 |
23939 | Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccccc1 | [N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c4nnn13.c14ccc(Cl)cc1.c13ccccc1 |
23941 | COc1cccc(CNc2nc(SC)ncc2CO)c1 | [C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][O][=C][Ring2][Ring1][C] | c15nc8ncc17.c13cccc6c1.CO3.C46.N45.S8C.C7O |
23942 | CCOC(=O)c1cnc(SC)nc1Nc1cc(C)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][N][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1] | c16cnc7nc14.c15cc(C)no1.C26=O.CC3.O23.S7C.N45 |
23945 | CSc1nnc(COc2ccc(C)cc2)n1N | [C][S][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][N] | c16nnc5n1N.c14ccc(C)cc1.CS6.C35.O34 |
23946 | COc1ccc(CCNC(=O)OC(C)(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C] | c15ccc8cc16.C4(C)(C)C.C8C7.C23=O.CO5.N37.O24.O6C |
23948 | COc1ccc2c(c1)CCCC2=CCN1C(=O)c2ccccc2C1O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][O] | c13ccc2c(c1)CCCC2=4.N15C(=O)c2ccccc2C1O.C=4C5.CO3 |
23949 | COc1ccc2c(c1)CCC1C2=CCN2C(=O)CCC12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][#Branch2][Ring1][=Branch1] | c13ccc2c(c1)CCC1C2=CCN2C(=O)CCC12.CO3 |
23951 | COc1cc2c(cc1OC)C(=CCC1(C)C(=O)CCC1=O)CCS2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][P][=C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=O][C][C][S][Ring2][Ring1][Ring2] | c13cc2c(cc14)C=5CCS2.C16(C)C(=O)CCC1=O.C=5C6.CO3.O4C |
23952 | C=CC1(O)CCN(S(=O)(=O)c2ccccc2)c2cc(OC)ccc21 | [C][=C][C][Branch1][C][O][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring2][Ring1][=Branch1] | C=CC1(O)CCN4c2cc3ccc21.S4(=O)(=O)c1ccccc1.O3C |
23953 | COC(=O)C1=C2c3ccc(OC)cc3CCC2(C)C(=O)C1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][P] | C4(=O)C1=C2c3ccc5cc3CCC2(C)C(=O)C1.CO4.O5C |
23954 | COC(=O)c1c(C(=O)OC)n2ccccc2cc1=O | [C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][=C][=O] | c16c5n2ccccc2cc1=O.C36=O.C45=O.CO3.O4C |
23955 | COC(=O)c1c(C)c2c(C(=O)OC)cc3cccc1n32 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][#C][N][Ring1][=Branch1][Ring1][=N] | c16c(C)c2c7cc3cccc1n32.C46=O.C57=O.CO4.O5C |
23958 | COc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c18cccc2cccnc12.c15cc9cc6c17.C49=O.CO5.N48.O6C.O7C |
23959 | CC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccccc1.C3(=O)CC6.CC5=O.N34 |
23960 | Cc1cccc(C(=O)Nc2cccc3cccnc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c15cccc2cccnc12.Cc1cccc6c1.C46=O.N45 |
23961 | CC(=O)c1ccc(NC(=O)CN(C(C)=O)c2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc6cc1.c17ccccc1.C3(=O)C5.CC8=O.N457.C4(C)=O.N36 |
23962 | CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][N][Ring1][=Branch1] | c16sc2nc7nc3c2c1NCN3.C46=O.CC5.O45.S7C |
23964 | COc1ccc(CNC(=O)c2ccccc2N)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17ccccc1N.C37=O.CO4.C68.N36.O5C |
23965 | CC(C)C(=O)Nc1c(F)cc(F)cc1Br | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br] | c13c(F)cc(F)cc1Br.CC(C)C2=O.N23 |
23966 | COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][Ring1][P] | c16ccc(Cl)cc1Cl.c14ccc5cn1.C36=O.CO4.N35 |
23967 | COC(=O)c1onc(-c2c(C)cc(C)cc2C)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][N][=C][Branch1][S][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=Ring1][=C][C][=Branch1][C][=O][O][C] | c17c(C)cc(C)cc1C.c15onc7c16.C35=O.C46=O.CO3.O4C |
23968 | CCOC(=O)c1cc(-c2c(OC)cc(OC)cc2OC)no1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=N][O][Ring1][P] | c19c5cc6cc17.c18cc9no1.C38=O.CC4.O34.O5C.O6C.O7C |
23969 | COC(=O)c1cn(Cc2c(C)cc(C)cc2C)nn1 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][N][=N][Ring1][#C] | c16c(C)cc(C)cc1C.c14cn5nn1.C34=O.CO3.C56 |
23970 | CC(=O)C1Sc2nnc(-c3ccccc3)n2N=C1C | [C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring1][#C][C] | C14Sc2nnc5n2N=C1C.c15ccccc1.CC4=O |
23971 | CC(=O)C1Sc2nnc(-c3ccc(C)cc3)n2N=C1C | [C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N][=C][Ring1][S][C] | C14Sc2nnc5n2N=C1C.c15ccc(C)cc1.CC4=O |
23973 | CC1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccco2)CC1 | [C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1] | c17cc(Cl)ccc15.CC1CCN3CC1.c16ccco1.C37=O.C46=O.N45 |
23974 | CC1CCCCN1C(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c16cc(Cl)ccc14.CC1CCCCN12.c15ccco1.C26=O.C35=O.N34 |
23975 | O=C(Nc1ccc(Cl)cc1C(=O)N1CCCCCC1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc16.N13CCCCCC1.c15ccco1.O=C25.C36=O.N24 |
23976 | O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc16.N13CCCC1.c15ccco1.O=C25.C36=O.N24 |
23977 | CC1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | CC1CCCCN12.c16ccccc14.c15ccco1.C26=O.C35=O.N34 |
23978 | CC(C)NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17cc(Cl)ccc15.c16ccco1.CC4C.C27=O.C36=O.N24.N35 |
23980 | O=C(Nc1ccc(Cl)cc1C(=O)NCc1ccco1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)cc17.c18ccco1.c16ccco1.O=C26.C37=O.N25.N34.C48 |
23981 | O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc17.c15ccncc1.c16ccco1.O=C26.C37=O.N24.N35 |
23984 | O=C1c2ccccc2NC(c2ccccn2)N1Cc1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1c2ccccc2NC5N13.c15ccccn1.c14ccccc1.C34 |
23985 | O=C1c2ccccc2NC(c2ccccn2)N1c1ccccc1F | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C1c2ccccc2NC4N13.c13ccccc1F.c14ccccn1 |
23986 | O=C1c2ccccc2NC(c2cccnc2)N1c1ccccc1F | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C1c2ccccc2NC4N13.c13ccccc1F.c14cccnc1 |
23987 | O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c14ccccc16.N13CCOCC1.O=C25.C36=O.C15CC1.N24 |
23988 | O=C(CC1CCCCC1)Nc1ccccc1C(=O)N1CCOCC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc15.C16CCCCC1.N13CCOCC1.O=C2C6.C35=O.N24 |
23989 | COc1ccc(CC(O)c2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][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.c13ccc6cc1.C6C7O.CO3.O4C.O5C |
23990 | COc1cc(OC)c(C(=O)Nc2ccccc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c17ccccc1.C38=O.CO4.O5C.N37.O6C |
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