ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
42827 | CCCC1=C(C(=O)OCC)C(c2ccc(NC(C)=O)cc2)NC(=O)N1 | [C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CCCC1=C(C3=O)C7NC(=O)N1.c17ccc6cc1.C4(C)=O.O35.C5C.N46 |
42833 | CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | N13CCN5CC1.c15ccccc16.c17cccnc1.CCC3=O.C47=O.N46 |
42834 | CCSc1ccc(NC(=O)COc2ccccc2OC)cc1 | [C][C][S][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c19ccc8cc1.c15ccccc16.C3(=O)C4.CC7.S79.N38.O45.O6C |
42835 | CCOC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c1%11c7cccc18.c19ccc%10cc1.C34=O.C5%11=O.CC6.O36.N49.N5%10.O7C.O8C |
42836 | CCN1C(=O)NC2C1N(S(C)(=O)=O)CCN2S(C)(=O)=O | [C][C][N][C][=Branch1][C][=O][N][C][C][Ring1][=Branch1][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][N][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | N15C(=O)NC2C1N3CCN24.S3(C)(=O)=O.S4(C)(=O)=O.CC5 |
42837 | CC1CN(C(=O)N2CCOCC2)CCN1C(=O)N1CCOCC1 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | CC1CN3CCN15.N14CCOCC1.N16CCOCC1.C34=O.C56=O |
42838 | CN(C)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(Cl)c1Cl.C2(=O)C3.S4(C)(=O)=O.CN2C.N345 |
42840 | CC(=O)c1cccc(NC(=O)CCSc2ccccc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16cccc5c1.c17ccccc1.C3(=O)CC4.CC6=O.N35.S47 |
42842 | CSc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.c18nnn6n1.c15ccccc1.C6C4=O.CS7.N45 |
42845 | O=C(N1CCOCC1)N1CCN(C(=O)N2CCOCC2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN5CC1.N13CCOCC1.N16CCOCC1.O=C34.C56=O |
42846 | Cc1cc2n(n1)C(O)(C(F)(F)F)CC(O)(C(F)(F)F)N2 | [C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][P] | Cc1cc2n(n1)C(O)(C(F)(F)F)CC3(O)N2.C3(F)(F)F |
42848 | Fc1ccc(Cn2nnc(-c3ccccc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][C] | Fc1ccc5cc1.n14nnc6n1.c16ccccc1.C45 |
42849 | O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccco2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c19ccccc1.c17ccco1.O=C38.C47=O.N35.C59.N46 |
42851 | CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.C2C(N)=O.CN23 |
42852 | CCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][C][C][O][Ring1][S] | c16cc2c(cc14)OCCO2.c15cccs1.CCC6=O.C35=O.N34 |
42854 | CCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16ccc8cc1.c17ccc9cc1.CCC4=O.C58=O.C39=O.N46.N57.O3C |
42857 | O=C(Nc1cccc(F)c1)C1CCN(C(=O)Cc2ccccc2)CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | c15cccc(F)c1.C16CCN4CC1.c17ccccc1.C4(=O)C7.O=C36.N35 |
42858 | O=C1CC(C(=O)Nc2nccs2)C(c2ccccc2)O1 | [O][=C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | O=C1CC5C6O1.c16ccccc1.c14nccs1.C35=O.N34 |
42859 | COC(=O)c1ccc(NC(=O)c2ccc(OC(C)=O)c(OC)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c1%10ccc6c7c1.c19ccc8cc1.C39=O.C5%10=O.C4(C)=O.CO3.N58.O46.O7C |
42861 | COC(=O)COc1cc2oc(=O)c(C)c(C)c2cc1Cl | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][=Branch2][C][=C][Ring1][=N][Cl] | c15cc2oc(=O)c(C)c(C)c2cc1Cl.C3(=O)C4.CO3.O45 |
42862 | CCOC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][=Branch2] | c16cc(C)cc2oc(=O)c(C)c(C)c12.C3(=O)C5.CC4.O34.O56 |
42863 | CCc1cc(=O)oc2cc(C)cc(OCC(=O)N(C)C)c12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | c16cc(=O)oc2cc(C)cc5c12.C4C3=O.N3(C)C.CC6.O45 |
42864 | Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(C)c(C(N)=O)c1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2] | Cc1ccc2c(c1)CCCN23.S3(=O)(=O)c1ccc(C)c4c1.C4(N)=O |
42865 | O=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16ccsc1.c15cccs1.O=C36.C45=O |
42867 | CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(C)CC2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C] | c16ccc4c(S5(=O)=O)c1.N15CCC(C)CC1.C36=O.CN3.O4C |
42868 | CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(C)c7c1.c14ccc6cc1.C7(N)=O.CC3.O34.N56 |
42869 | Cc1c(C)c2cc(Cl)c(OCC(N)=O)cc2oc1=O | [C][C][=C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][N][O][C][Ring1][P][=O] | Cc1c(C)c2cc(Cl)c4cc2oc1=O.C3C(N)=O.O34 |
42870 | COc1cccc(C(=O)COc2ccc3ccc(=O)oc3c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][Branch1] | c16ccc2ccc(=O)oc2c1.c15cccc7c1.C7(=O)C4.CO5.O46 |
42871 | CCc1cc(=O)oc2cc(OCC(N)=O)c(Cl)cc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][N] | c15cc(=O)oc2cc4c(Cl)cc12.C3C(N)=O.CC5.O34 |
42872 | O=C(c1ccccc1)c1cccc(NC(=O)C2CC2)c1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N] | c17cccc4c1.c16ccccc1.O=C67.C35=O.C15CC1.N34 |
42873 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NC)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][O] | S5(=O)(=O)c1ccc(Cl)c6c1.N345.C26=O.CC3.C4C.N2C |
42875 | O=C(Cc1ccccc1)NCC(=O)OCc1ccc(Cl)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c17ccc(Cl)cc1.c16ccccc1.O=C3C6.C5C2=O.N35.O24.C47 |
42876 | CC(=O)C(C)Oc1cc2oc(=O)cc(C)c2cc1Cl | [C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=Ring1][Branch2][C][=C][Ring1][N][Cl] | c14cc2oc(=O)cc(C)c2cc1Cl.CC(=O)C3C.O34 |
42877 | COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2] | S3(=O)(=O)c1ccc(C)c5c1.c12ccccc14.C5(N)=O.CO2.N34 |
42878 | O=C(COC(=O)C1CC(=O)N(c2ccccc2)C1)c1ccccc1 | [O][=C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CC(=O)N7C1.c17ccccc1.c16ccccc1.O=C6C4.C35=O.O34 |
42879 | COc1ccc(OCC(=O)N(C)CCc2ccccn2)cc1 | [C][O][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][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccn1.C4C3=O.N37C.C7C8.CO5.O46 |
42880 | CNC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc3cc14.C2(=O)C5.S6(C)(=O)=O.N567.CN2.O3C.O4C |
42881 | CC(=O)Nc1cc(NC(=O)c2ccco2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c15cc6ccc1Cl.c17ccco1.CC3=O.C47=O.N35.N46 |
42882 | CCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c17ccc9cc1.c18nnc%10s1.c1%10ccco1.C45=O.CC6.O67.N49.N58 |
42883 | COc1cc(OC)cc(C(=O)NCc2ccc(Cl)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c18ccc(Cl)cc1.C37=O.CO4.O5C.N36.C68 |
42884 | CCOc1cccc(C(=O)Nc2c(C)cccc2C)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16c(C)cccc1C.c15cccc7c1.C37=O.CC4.O45.N36 |
42885 | Brc1ccc(-c2nnc3ccc(-n4cccn4)nn23)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16nnc2ccc5nn12.Brc1ccc6cc1.n15cccn1 |
42886 | CC(Oc1ccccc1)C(=O)Nc1ccc(F)cc1F | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c14ccccc1.CC3C2=O.O34.N25 |
42887 | CC(Oc1ccccc1)C(=O)Nc1ccccc1C(N)=O | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c15ccccc16.c14ccccc1.CC3C2=O.C6(N)=O.O34.N25 |
42888 | CNC(=O)c1cc(Br)c(C)c(C)c1C | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C] | c13cc(Br)c(C)c(C)c1C.C23=O.CN2 |
42889 | CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] | c15ccc(C#Cc2ccccc2)cc1.CC1CCN4CC1.C45=O |
42890 | CC(C)(CO)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.C2(=O)C3(C)C.CC5(C)CO.N25.O34 |
42891 | Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc(S4(=O)=O)cc1C.c15ccccc1.N34.C35 |
42892 | CC(C)CNC(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c18ccc6cc1.c17ccco1.CC(C)C5.C38=O.C47=O.N35.N46 |
42893 | O=C(c1ccc2ccccc2c1)N1CCc2ccccc2C1 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | c14ccc2ccccc2c1.N13CCc2ccccc2C1.O=C34 |
42894 | Cc1cccnc1NC(=O)COc1ccccc1Cl | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | Cc1cccnc15.c14ccccc1Cl.C2(=O)C3.N25.O34 |
42895 | O=C(COc1ccccc1Cl)NCc1ccncc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccccc1Cl.c16ccncc1.O=C2C3.O34.N25.C56 |
42896 | CC(C)(C)NC(=O)NCCc1c[nH]c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c17c[nH]c2ccccc12.CC5(C)C.C34=O.C6C7.N35.N46 |
42897 | O=C(Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14cccc2ccccc12.c15ccc2c(c1)OCCO2.O=C35.N34 |
42900 | O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc(Br)cc1.O=C35.N34 |
42903 | O=C(NCc1cccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][#C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc(C#CC2(O)CCCCC2)cc1.c16cccnc1.O=C35.N34.C46 |
42904 | O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc1.c13ccccc1.O=S2(=O)C4.N23 |
42906 | COc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2cc7c(=O)oc2c1.c18ccco1.C47=O.CO5.N46.C68 |
42907 | COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccsc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][C][=C][S][C][=Ring1][Branch1] | C2(=O)C1=C(C)NC(=O)NC15.c13ccccc14.c15ccsc1.CO3.N24 |
42909 | O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14cc(Cl)c(Cl)cc1Cl.N12CCOCC1.O=C2C3.O34 |
42911 | O=C(c1cccc(Br)c1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15cccc(Br)c1.N13CCN4CC1.c14ccccc1.O=C35 |
42912 | COC(=O)c1cc(NC(C)=O)c(Cl)c(NC(C)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][C][Cl][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#C] | c17cc5c(Cl)c6c1.C27=O.C3(C)=O.C4(C)=O.CO2.N35.N46 |
42913 | COC(=O)c1cc(Br)cc(NC(C)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][O] | c15cc4cc(Br)c1.C25=O.C3(C)=O.CO2.N34 |
42914 | COc1cc(NC(=O)c2ccc(C)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14cc5cc6c1.c17ccc(C)cc1.C37=O.CO4.N36.O5C |
42916 | CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2O)c1 | [C][C][Branch1][C][C][Branch1][C][C][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][O][=C][Ring1][S] | c15cccc7c1.c16ccccc1O.CC(C)(C)C3=O.C47=O.N35.N46 |
42917 | COc1cccc(OCC(=O)N2CCOCC2)c1 | [C][O][C][=C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] | c15cccc6c1.N13CCOCC1.C4C3=O.CO5.O46 |
42918 | COc1ccc(C)cc1NC(=O)COc1ccccc1OC | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c14ccc(C)cc17.c15ccccc16.C2(=O)C3.CO4.N27.O35.O6C |
42919 | COc1cccc(NCCC(=O)c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c13cccc5c1.c16ccccc1.C4CC6=O.CO3.N45 |
42920 | CC(C)(C)c1ccc(OCC(=O)NCc2cccnc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c18cccnc1.CC7(C)C.C4C3=O.O45.N36.C68 |
42921 | COc1ccc(CCNC(=O)c2c(OC)cccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c18c5cccc16.c14ccc9cc1.C9C7.C38=O.CO4.N37.O5C.O6C |
42922 | O=C(Nc1ncccc1Cl)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ncccc1Cl.O=C35.N34 |
42923 | COc1ccc(CCNC(=O)C2CCCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S][O][C] | c14ccc8cc15.C17CCCC1.C8C6.C37=O.CO4.N36.O5C |
42925 | CCn1ncn2c(=O)c3c4c(sc3nc12)COC(C)(C)C4 | [C][C][N][N][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][S][C][=Ring1][Branch1][N][=C][Ring1][=N][Ring1][#Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N] | n15ncn2c(=O)c3c4c(sc3nc12)COC(C)(C)C4.CC5 |
42926 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(O)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(O)cc1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
42928 | COc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c14cccc7c1.c18ccccc1.C3(=O)C5.S6(C)(=O)=O.N568.CO4.N37 |
42929 | COc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | c14ccc7cc1.c18ccccc1.C3(=O)C5.S6(C)(=O)=O.N568.CO4.N37 |
42931 | CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][P] | c16ccc(F)cc1.c17nnc5s1.C3(=O)C4.CCC7.N35.N46 |
42932 | O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C] | c15cccc6c1.c18ccccc1.c17ccco1.O=C3C8.C47=O.N35.N46 |
42933 | COc1ccc(OC)c(NC(=O)COc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15ccc6c8c1.c17ccc(F)cc1.C3(=O)C4.CO5.O6C.N38.O47 |
42934 | O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccc(Cl)cc1.O=C3C5.N34 |
42935 | CC(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1F.CC3=O.C47=O.N35.N46 |
42936 | O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2] | O=c1[nH]c2ccc5cc2[nH]1.S4(=O)(=O)c1ccc(F)cc1.N45 |
42937 | Cc1cc(Br)cc(C)c1NC(=O)COc1ccccc1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(Br)cc(C)c15.c14ccccc1.C2(=O)C3.N25.O34 |
42941 | CCOc1cc(OCC)cc(C(=O)Nc2ccccn2)c1 | [C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16cc7cc9c1.c18ccccn1.C39=O.CC4.O46.O57.C5C.N38 |
42942 | Cc1cc(Br)cc(C)c1NC(=O)c1ccco1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1cc(Br)cc(C)c13.c14ccco1.C24=O.N23 |
42943 | O=C(c1ccc(F)cc1F)n1nnc2ccccc21 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3n1nnc2ccccc21.c13ccc(F)cc1F |
42944 | CCOC(=O)c1cnn(CCOc2ccccc2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][N] | c17cnn8c1N.c16ccccc1.C37=O.C8C5.CC4.O34.O56 |
42945 | CCOC(=O)c1c(C)n(C)c2c(C)cc(O)c(OC(C)=O)c12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][P][Ring1][N] | c17c(C)n(C)c2c(C)cc(O)c6c12.C37=O.C4(C)=O.CC5.O35.O46 |
42946 | Cc1ccccc1OCC(=O)Nc1ccc(Br)cn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | Cc1ccccc14.c15ccc(Br)cn1.C3C2=O.O34.N25 |
42947 | CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3C)cc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][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][=C][Ring2][Ring1][Branch1][Ring1][P] | c16c(C)oc2ccc5cc12.S4(=O)(=O)c1ccccc1C.CC6=O.N45 |
42948 | Nc1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Nc1ccc2nc7sc2c1.c16nc2ccccc2[nH]1.S57.C56 |
42949 | O=C(NCc1ccccc1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N7C1.c17ccc(F)cc1.c16ccccc1.O=C35.N34.C46 |
42951 | Cc1ccc(-n2nnnc2-c2nnnn2-c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc3cc1.c14ccc(C)cc1.n13nnnc15.c15nnnn14 |
42952 | COc1cc(NC(=O)COc2ccc(C)cc2)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15cc7cc8c1.c16ccc(C)cc1.C3(=O)C4.CO5.N38.O46.O7C |
42953 | CCCC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccccc17.c16ccc4cc1.CCCC2=O.C37=O.N25.N36.O4C |
42955 | O=C(Nc1cccnc1)c1cc(Br)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.c13cccnc1.O=C24.N23 |
42956 | O=C(Nc1ccncc1)c1cc(Br)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.c13ccncc1.O=C24.N23 |
42957 | NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 | [N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C] | c14cnn2c5cc6nc12.c16ccco1.C5(F)(F)F.NC4=O |
42958 | COc1ccc(CC(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.c17cccc8c1.C9C3=O.C6C(C)C.C48=O.CO5.N37.N46 |
42959 | COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1ccco1 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c15cc6ccc17.c19ccccc1.c18ccco1.C39=O.C48=O.CO5.N36.N47 |
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