ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
4849 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C2(=O)C1=C(C)N=C(C)C5C16.c16ccccc14.C35=O.CO2.O3C.O4C |
4851 | COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3ccccn23)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][C] | c18nnc2ccccn12.c17c(C)[nH]c6c1C.C6(=O)C5.C47=O.CO4.S58 |
4853 | Cc1ccccc1OCc1nc(-c2ccncc2)no1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | Cc1ccccc14.c15nc6no1.c16ccncc1.O34.C35 |
4854 | COc1cc(-c2nc(-c3cccnc3)no2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc7cc5c16.c17nc8no1.c18cccnc1.CO4.O5C.O6C |
4855 | CC1(O)c2ccccc2C(=O)N1CCc1ccccc1F | [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][=C][Ring1][=Branch1][F] | CC1(O)c2ccccc2C(=O)N13.c14ccccc1F.C3C4 |
4856 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccc(O)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15ccc(O)cc1.C34=O.CO2.O3C |
4857 | CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCCC1 | [C][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | S4(=O)(=O)c1ccc(C)cc1.CCC3C2=O.N12CCCCC1.N34 |
4858 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccccn1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15ccccn1.C34=O.CO2.O3C |
4859 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | C3(=O)C1=C(C)N=C(C)C5C16.c16ccc2c(c1)OCO2.C45=O.CO3.O4C |
4860 | CCOc1ccccc1NC(=O)CSc1nnc(C)s1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c14ccccc16.c17nnc(C)s1.C2(=O)C5.CC3.O34.N26.S57 |
4861 | CCOC(=O)N1CCN(C(=O)COc2ccc(C)c(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][C] | c18ccc(C)c(C)c1.N14CCN5CC1.C5(=O)C7.C34=O.CC6.O36.O78 |
4862 | Cc1nc2ccc(Cc3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][Ring2][Ring1][Branch2] | Cc1nc2ccc5cc2c(=O)o1.c16ccc2nc(C)oc(=O)c2c1.C56 |
4864 | Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | n15c(N)c(C#N)c2nc3ccccc3nc21.Cc1ccc5cc1 |
4865 | CCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | c16c(N)n7c2nc3ccccc3nc12.c17ccccc1.C46=O.CC5.O45 |
4866 | CCOC(=O)CSc1nc(N)c2c(C)c(C)sc2n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring1][N] | c16nc(N)c2c(C)c(C)sc2n1.C3(=O)C5.CC4.O34.S56 |
4867 | CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c15cccc(F)c1.CC(C)CC3=O.C45=O |
4868 | O=C(c1cccs1)N1CCN(C(=O)c2ccccc2F)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N13CCN4CC1.c16ccccc1F.c15cccs1.O=C35.C46=O |
4869 | CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C | [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][C] | c16nc2sc(C)c(C)c2c(=O)n1C.C3(=O)C5.CC4.O34.S56 |
4870 | N#Cc1cccc2cccc(S(=O)(=O)N3CCOCC3)c12 | [N][#C][C][=C][C][=C][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][Ring1][#C] | N#Cc1cccc2cccc(S4(=O)=O)c12.N14CCOCC1 |
4871 | O=C(c1ccncc1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=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.c16ccncc1.c15cccs1.O=C36.C45=O |
4872 | CNc1nnc(CSc2nc3ccccc3s2)s1 | [C][N][C][=N][N][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][S][Ring1][S] | c17nc2ccccc2s1.c15nnc6s1.CN5.C46.S47 |
4873 | Cc1cccc(OCC(=O)NCCc2c[nH]c3ccccc23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c18c[nH]c2ccccc12.Cc1cccc6c1.C5C4=O.C7C8.O56.N47 |
4874 | Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2F)n1 | [N][C][=N][C][=C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring2][Ring1][Branch2] | Nc1ncc4c5n1.c15ccccc1F.c14nnnn13.c13ccccc1 |
4875 | Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][N][=N][N][=C][Ring1][Branch1][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=Branch2] | c14cnc(N)nc15.Cc1ccc3cc1.c15ccccc1F.n13nnnc14 |
4876 | Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc3cc1.c15ccccc1F.n13nnnc14.c14cn[nH]c15 |
4877 | Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccc(F)cc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Branch2] | c15ccc(F)cc1F.Cc1ccc3cc1.n13nnnc14.c14cn[nH]c15 |
4878 | O=S1(=O)N=S(c2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=S][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)N=S(c2ccccc2)c2ccccc21 |
4879 | COC(=O)c1ccccc1S1=NS(=O)(=O)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c14ccccc1S1=NS(=O)(=O)c2ccccc21.C34=O.CO3 |
4880 | Cc1ccc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1][C] | Cc1ccc6cc1C.c17ccc8cc1.n18cnnn1.C6(=O)C5.C47=O.O45 |
4881 | O=c1c(=Cc2cccnc2)sc2n1CN(c1ccccc1)CN=2 | [O][=C][C][=Branch1][#Branch2][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][N][Ring1][N][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=Ring1][N] | O=c1c(=Cc2cccnc2)sc2n1CN3CN=2.c13ccccc1 |
4882 | NC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F | [N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c12c3cccc14.C3(F)(F)F.C4(F)(F)F.NC2=O |
4883 | Cc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][Branch2] | Cc1nc2ccccc2c(=O)n13.c13ccc2c(c1)OC(F)(F)O2 |
4884 | CC(=O)c1cccc(Nc2nc(-c3ccccn3)cs2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][C] | c16cccc5c1.c14nc7cs1.c17ccccn1.CC6=O.N45 |
4885 | CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F | [C][C][C][=Branch1][C][=O][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C34(C(F)(F)F)C(F)(F)F.c15ccc(O)cc1.CCC2=O.N23.N45 |
4886 | Cn1c(=O)c2cc3cc(Cl)c(Cl)cc3nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][=C][Ring1][N][N][Branch1][C][C][C][Ring2][Ring1][C][=O] | Cn1c(=O)c2cc3cc(Cl)c(Cl)cc3nc2n(C)c1=O |
4887 | CCc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C | [C][C][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C] | c14ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C.CC4 |
4888 | C#Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 | [C][#C][C][=C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | C#Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 |
4890 | Cn1c(=O)c2cc3cc(-c4ccccc4)ccc3nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][=C][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2cc3cc5ccc3nc2n(C)c1=O.c15ccccc1 |
4892 | COc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 | [C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1.CO4 |
4896 | CC(=O)Nc1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c15nc8cs1.c18ccccn1.CC4=O.N46.N57 |
4897 | CCn1nnnc1SCC(=O)Nc1ccc(Br)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.n15nnnc16.C3C2=O.CC5.S36.N24 |
4898 | O=S(=O)(CC1CC1(Cl)Cl)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(C2)c1ccccc1.C12CC1(Cl)Cl |
4900 | Cc1ccnc(Nc2nc(-c3ccccn3)cs2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][C] | Cc1ccnc4c1.c15nc6cs1.c16ccccn1.N45 |
4905 | CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][N][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][N][C][=Ring1][S][C] | c16nnc2c7c(C)nn2c1C.c17ccccc1.C46=O.CC5.O45 |
4906 | COc1cc(OC)cc(-c2nc(-c3nonc3N)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c17nc6no1.c16nonc1N.CO4.O5C |
4907 | Nc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1 | [N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c5nnn16.c18ccccc1.c17ccco1.C35=O.N34.C47.C68 |
4909 | Cn1c(=O)c2c(ncn2CC(O)COc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14ccccc1.C5C(O)C3.O34 |
4912 | CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C3=O)C5NC(=O)N1.c15cccs1.C4(C)C.O34 |
4913 | CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccncc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C2(=O)C1=C(C)N(C)C(C)=C(C3=O)C16.c16ccncc1.CC4.O24.O35.C5C |
4914 | COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(F)ccc1F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13cc(F)ccc1F.CO2 |
4916 | C=CCN1C(=O)CN2c3ccccc3C(C)(C)C12C | [C][=C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][Ring1][O][C] | N14C(=O)CN2c3ccccc3C(C)(C)C12C.C=CC4 |
4918 | c1cc2c(cc1-n1nnnc1SCC1CC1)OCO2 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][C][C][Ring1][Ring1][O][C][O][Ring1][P] | c1cc2c(cc15)OCO2.n15nnnc16.C14CC1.S36.C34 |
4919 | c1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][N][=C][C][=Branch1][Branch2][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c15cn2nc3c(nc2n1)CCCC3.c1ccc5cc1 |
4920 | Cc1n[nH]c2c1C(c1ccc(Cl)cc1)CC(=O)N2 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=C] | Cc1n[nH]c2c1C(c1ccc(Cl)cc1)CC(=O)N2 |
4921 | c1ccc(-n2nnnc2-c2cnoc2-c2cccs2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c1ccc3cc1.n13nnnc15.c15cnoc14.c14cccs1 |
4922 | Cc1ccc(-n2nnnc2-c2cnoc2-c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc3cc1.n13nnnc15.c15cnoc14.c14cccs1 |
4923 | COc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc8cc15.c17nc9cs1.c19cccnc1.C8C6.CO4.N67.O5C |
4924 | Cc1cc2[nH]nc(-c3ccc(C(F)(F)F)cc3)n2n1 | [C][C][C][=C][NH1][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Ring1][#C][N][=Ring2][Ring1][C] | Cc1cc2[nH]nc5n2n1.c15ccc4cc1.C4(F)(F)F |
4925 | CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cs2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c15nc8cs1.c18cccnc1.CC4=O.N46.N57 |
4926 | c1ccc(Nc2nc(-c3cccnc3)cs2)nc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][N][=C][Ring2][Ring1][C] | c1ccc4nc1.c15nc6cs1.c16cccnc1.N45 |
4927 | c1cnc(Nc2nc(-c3cccnc3)cs2)nc1 | [C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][N][=C][Ring2][Ring1][C] | c1cnc4nc1.c15nc6cs1.c16cccnc1.N45 |
4929 | Cc1ccnc(Nc2nc(-c3cccnc3)cs2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][C] | Cc1ccnc4c1.c15nc6cs1.c16cccnc1.N45 |
4931 | CCOC(=O)CSc1nc(N)nc(C)c1Br | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][C][C][=C][Ring1][Branch2][Br] | c15nc(N)nc(C)c1Br.C2(=O)C4.CC3.O23.S45 |
4933 | CCOC(=O)Cn1nnc(-c2ccccc2F)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c16ccccc1F.n15nnc6n1.C3(=O)C5.CC4.O34 |
4934 | CCOC(=O)Cn1c(-c2nonc2NC(=O)CC)nc2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][#C][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n17c8nc2ccccc21.c18nonc16.C3(=O)C7.C4(=O)CC.CC5.O35.N46 |
4935 | O=C(Cn1nnc(N2CCOCC2)n1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.n15nnc3n1.N13CCOCC1.O=C4C5 |
4936 | O=C(Cn1nnc(N2CCOCC2)n1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc3n1.N13CCOCC1.c14ccccc1.O=C4C5 |
4937 | COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(F)c(F)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | C2(=O)C1=C(C)N(C)C(=O)NC13.c13ccc(F)c(F)c1.CO2 |
4939 | Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 | [N][C][=N][C][=N][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring1][=Ring1][#C] | Nc1ncnc2oc4c5c12.c14ccco1.c15ccco1 |
4940 | O=C(Cn1nnc(N2CCCCC2)n1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.n15nnc3n1.N13CCCCC1.O=C4C5 |
4941 | CC(=O)Nc1nc(NC(C)=O)nc(N2CCCCC2)n1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][S] | c15nc6nc7n1.N17CCCCC1.CC3=O.C4(C)=O.N35.N46 |
4942 | CC1CCCC(C)N1C(=O)c1cc(F)c(F)cc1Cl | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c13cc(F)c(F)cc1Cl.CC1CCCC(C)N12.C23=O |
4943 | O=C(Cn1nnc(N2CCCCC2)n1)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.n15nnc3n1.N13CCCCC1.O=C4C5 |
4944 | Clc1cccc(Cl)c1Cn1nnc(N2CCCC2)n1 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][N][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2] | Clc1cccc(Cl)c15.n14nnc3n1.N13CCCC1.C45 |
4945 | O=C(Cn1nnc(N2CCCCC2)n1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc3n1.N13CCCCC1.c14ccccc1.O=C4C5 |
4947 | CCC1C(=O)C(C)(C)C(=O)OC1c1ccccc1F | [C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C12C(=O)C(C)(C)C(=O)OC13.c13ccccc1F.CC2 |
4948 | Clc1cccc(Cl)c1Cn1nnc(N2CCCCC2)n1 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | Clc1cccc(Cl)c15.n14nnc3n1.N13CCCCC1.C45 |
4951 | COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][C][Branch1][C][C][=C][Ring1][P][C] | c17c6sc(C)c1C.c18cccc5c1.C37=O.C48=O.CO3.N46.O5C |
4952 | COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][C][Branch1][C][C][=C][Ring1][P][C] | c17c6sc(C)c1C.c18ccc5cc1.C37=O.C48=O.CO3.N46.O5C |
4953 | COC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][Branch1][C][C][=C][Ring1][#C][C] | c16c5sc(C)c1C.c17ccoc1C.C36=O.C47=O.CO3.N45 |
4954 | Fc1cccc(Cl)c1Cn1nnc(N2CCCCC2)n1 | [F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O] | Fc1cccc(Cl)c15.n14nnc3n1.N13CCCCC1.C45 |
4955 | Clc1ccc(Cn2nnc(N3CCCCC3)n2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][C] | Clc1ccc6cc1.n15nnc4n1.N14CCCCC1.C56 |
4957 | Cc1nc2ccccc2n1CCc1nc(N)nc(N)n1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2] | Cc1nc2ccccc2n13.c14nc(N)nc(N)n1.C3C4 |
4958 | Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][=N][O][Ring2][Ring1][Branch1] | Cc1cc6no1.c18ncn7n1.c17ccccc1.C4(=O)C5.N46.S58 |
4959 | CC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring1][P] | c16nc2ccccc2c(=O)o1.c15ccc6cc1.CC(C)C4=O.N45 |
4962 | CC(=O)Oc1ccc2nc(-c3ccccc3)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] | c15ccc2nc6oc(=O)c2c1.c16ccccc1.CC4=O.O45 |
4963 | CC(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][Ring1][P] | c16nc2ccccc2c(=O)o1.c15cccc6c1.CC(C)C4=O.N45 |
4964 | O=C(CSc1nnnn1-c1ccc(F)cc1F)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(F)cc1F.c15nnnn14.N12CCOCC1.O=C2C3.S35 |
4966 | Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O | [C][N][C][=N][C][=C][Branch2][Ring1][#Branch2][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=O] | Cn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O |
4967 | Nc1nonc1-c1noc(-c2sc3ccccc3c2Cl)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch1][#C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][=N][Ring1][#C] | c15sc2ccccc2c1Cl.Nc1nonc14.c14noc5n1 |
4970 | Cc1sc2ncnc(NCCc3ccc4c(c3)OCCO4)c2c1C | [C][C][S][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1sc2ncnc6c2c1C.c17ccc2c(c1)OCCO2.C5C7.N56 |
4971 | CC(C)(C)C(=O)Cn1nnc(N2CCOCC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O] | CC(C)(C)C(=O)C4.n14nnc3n1.N13CCOCC1 |
4972 | NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 | [N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | NC(=O)CN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1 |
4973 | CCCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1 |
4974 | COCc1cc(OC(=O)N(C)C)nc(-c2ccncc2)n1 | [C][O][C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c17cc6nc8n1.c18ccncc1.C34=O.N4(C)C.CO5.C57.O36 |
4975 | CCCN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc21 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)cc1 |
4976 | COCc1cc(OC(=O)N(C)C)nc(SC)n1 | [C][O][C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=C] | c16cc5nc7n1.C23=O.N3(C)C.CO4.C46.O25.S7C |
4977 | COc1cc(NC(=O)C2CCCCC2)cc2sc(NC(C)=O)nc12 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Ring2][Ring1][=Branch1][=Ring1][=Branch2] | c15cc7cc2sc6nc12.C18CCCCC1.C38=O.C4(C)=O.CO5.N37.N46 |
4980 | Nc1ncnc(Nc2ccc(Br)cc2)n1 | [N][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][=C] | Nc1ncnc3n1.c14ccc(Br)cc1.N34 |
4981 | Nc1ncnc(Nc2cccc(C(F)(F)F)c2)n1 | [N][C][=N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][P] | Nc1ncnc3n1.c14cccc5c1.C5(F)(F)F.N34 |
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