ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936867 | CCOc1ccc(-c2csc3nnc(N)n23)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][S][C][=C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C][Cl] | c16csc2nnc(N)n12.c15ccc6cc1Cl.CC4.O45 |
1936869 | O=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 | [O][=C][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring1] | S4(=O)(=O)c1ccc2c(c1)CCCO2.O=C1CCCN4C1 |
1936870 | CC(C)Nc1ccc(S(=O)(=O)NCc2ccco2)cn1 | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][Ring1][S] | c16ccc(S5(=O)=O)cn1.c17ccco1.CC3C.N36.N45.C47 |
1936871 | Cc1cc(S(=O)(=O)NC2CCCC2)cnc1NC1CC1 | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][N][=C][Ring1][#C][N][C][C][C][Ring1][Ring1] | Cc1cc(S3(=O)=O)cnc14.C15CCCC1.C16CC1.N35.N46 |
1936875 | CCOC(=O)N1CCN([S+]([O-])c2ccc(N)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN([S+]([O-])c2ccc(N)cc2)CC1.C34=O.CC5.O35 |
1936877 | NC(=O)C1CCC(C(=O)OC2CCCCC2)CC1 | [N][C][=Branch1][C][=O][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C15CCC6CC1.C14CCCCC1.NC5=O.C36=O.O34 |
1936878 | NC(=O)c1csc(C(=O)Oc2ccc3c(c2)CCC3)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][P] | c15ccc2c(c1)CCC2.c17csc6c1.NC7=O.C46=O.O45 |
1936880 | CC1(C)C(=O)Nc2ccc(-c3csc4nc(N)cn34)cc21 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=C][S][C][=N][C][Branch1][C][N][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | CC1(C)C(=O)Nc2ccc5cc21.c15csc2nc(N)cn12 |
1936881 | Cc1c(C(=O)CCN2CCC(=O)CC2)c2ccccc2n1C | [C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c4c2ccccc2n1C.N13CCC(=O)CC1.C4(=O)CC3 |
1936882 | COc1c(Cl)cc(Cl)cc1-c1nc(C)nc(CN)n1 | [C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][C][N][=N][Ring1][=Branch2] | c12c4cc(Cl)cc1Cl.c14nc3nc(C)n1.CO2.C3N |
1936883 | COc1cc(Cl)c(-c2nc(C)nc(CN)n2)cc1Cl | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=N][C][Branch1][C][C][=N][C][Branch1][Ring1][C][N][=N][Ring1][=Branch2][C][=C][Ring1][S][Cl] | c13cc(Cl)c5cc1Cl.c15nc4nc(C)n1.CO3.C4N |
1936886 | N#CC(C(=O)C1CC1c1ccc(OC(F)(F)F)cc1)c1ccccn1 | [N][#C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc2cc1.N#CC4C3=O.c14ccccn1.O2C(F)(F)F.C13CC15 |
1936887 | Cc1nc(CN)nc(-c2ccc3c(c2)N(C)C(=O)C(C)O3)n1 | [C][C][=N][C][Branch1][Ring1][C][N][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)N(C)C(=O)C(C)O2.Cc1nc4nc5n1.C4N |
1936888 | CC(C)c1nn2c(-c3ccc4c(c3)CCCN4)nnc2s1 | [C][C][Branch1][C][C][C][=N][N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C] | c16ccc2c(c1)CCCN2.c15nn2c6nnc2s1.CC5C |
1936889 | Cc1sc(=O)n(CC(=O)OCCOc2ccccc2)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring1][C] | Cc1sc(=O)n7c1C.c16ccccc1.C7C3=O.C4C5.O34.O56 |
1936890 | NC(=O)c1csc(C(=O)OCCc2ccccc2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S] | c16csc5c1.c17ccccc1.NC6=O.C35=O.C4C7.O34 |
1936891 | Cc1sc(=O)n(CC(=O)OCCNC(=O)c2ccncc2)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C] | Cc1sc(=O)n8c1C.c17ccncc1.C8C3=O.C5C6.C47=O.O35.N46 |
1936892 | Cc1csc(=O)n1CC(=O)OCCNC(=O)c1ccncc1 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1csc(=O)n17.c16ccncc1.C7C2=O.C4C5.C36=O.O24.N35 |
1936893 | CCn1nnc2cc(C(=O)OCCNC(=O)c3ccncc3)ccc21 | [C][C][N][N][=N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | n1%10nnc2cc8ccc21.c19ccncc1.C48=O.C6C7.C59=O.CC%10.O46.N57 |
1936894 | NC(=O)c1csc(C(=O)OCCCc2cccnc2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][P] | c16csc5c1.c17cccnc1.C4CC7.NC6=O.C35=O.O34 |
1936896 | CC(=O)c1cc(C(=O)OCC#Cc2ccccc2)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring2][Ring1][C] | C4C#Cc1ccccc1.c16cc5n(C)c1.CC6=O.C35=O.O34 |
1936897 | O=C(Cn1c(=O)[nH]c2ccccc21)OCC#Cc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(=O)[nH]c2ccccc21.C4C#Cc1ccccc1.O=C3C5.O34 |
1936898 | O=C(CCNS(=O)(=O)c1cccnc1)OCC#Cc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1cccnc1.C3C#Cc1ccccc1.O=C2CC4.N45.O23 |
1936899 | Cc1ccc(NC(=O)COC(=O)c2cc(C(N)=O)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | Cc1ccc6cc1.c17cc8cs1.C4(=O)C5.C37=O.C8(N)=O.N46.O35 |
1936900 | CCC(C)OC(=O)C1CCN(C(=O)COc2ccccc2)CC1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C18CCN4CC1.c17ccccc1.CCC5C.C4(=O)C6.C38=O.O35.O67 |
1936901 | CCC(C)OC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | C16CCN5CC1.c17ccccc1.S5(=O)(=O)C7.CCC4C.C36=O.O34 |
1936902 | CCC(C)OC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCCC1.CCC4C.C36=O.O34 |
1936903 | CC1(C)C2CC=C(COC(=O)CCn3ccccc3=O)C1C2 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][Ring1] | CC1(C)C2CC=C(C5)C1C2.n16ccccc1=O.C4(=O)CC6.O45 |
1936904 | CC1CCCC(OC(=O)C2CCC(C(N)=O)CC2)C1 | [C][C][C][C][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Ring2][Ring1][C] | CC1CCCC4C1.C15CCC6CC1.C35=O.C6(N)=O.O34 |
1936905 | Cc1sc(=O)n(CC(=O)OC(C)COc2ccccc2)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring2][C] | Cc1sc(=O)n7c1C.c16ccccc1.C7C3=O.C4(C)C5.O34.O56 |
1936906 | Cc1csc(=O)n1CC(=O)OC(C)COc1ccccc1 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1csc(=O)n16.c15ccccc1.C6C2=O.C3(C)C4.O23.O45 |
1936907 | CC(COc1ccccc1)OC(=O)Cn1c(=O)[nH]c2ccccc21 | [C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n17c(=O)[nH]c2ccccc21.c16ccccc1.CC5C4.C3(=O)C7.O46.O35 |
1936908 | NC(=O)c1csc(C(=O)OC2CCCc3ccccc32)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C] | O4C1CCCc2ccccc21.c16csc5c1.NC6=O.C45=O |
1936909 | Cc1onc(-c2ccccc2)c1C(=O)OCC1(C)COC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][O][C][Ring1][Branch1] | Cc1onc7c15.c17ccccc1.C16(C)COC1.C35=O.O34.C46 |
1936910 | COC1CCCCC1OC(=O)c1ccc2c(c1)CCC(=O)N2 | [C][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c16ccc2c(c1)CCC(=O)N2.C14CCCCC15.C36=O.CO4.O35 |
1936911 | COC1CCCCC1OC(=O)C1CCC(C(N)=O)CC1 | [C][O][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | C13CCCCC14.C15CCC6CC1.C25=O.C6(N)=O.CO3.O24 |
1936912 | CCOC(=O)N1CCC(OC(=O)c2cnn(C)c2-n2cccc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | N15CCC7CC1.c18cnn(C)c19.n19cccc1.C35=O.C48=O.CC6.O36.O47 |
1936913 | CCOC(=O)N1CCC(OC(=O)c2n[nH]c3c2CCCC3)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c19n[nH]c2c1CCCC2.N16CCC8CC1.C46=O.C59=O.CC7.O47.O58 |
1936915 | CCNC(=O)NC1CCC(OC(=O)c2cc(C(C)(C)C)n[nH]2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][C][C][Ring2][Ring1][C] | C18CCC6CC1.c19cc%10n[nH]1.C%10(C)(C)C.C45=O.C39=O.CC7.N47.N58.O36 |
1936916 | CCNC(=O)NC1CCC(OC(=O)c2cc(C(C)=O)cn2C)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][N][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | C18CCC6CC1.c19cc%10cn1C.C45=O.C39=O.C%10(C)=O.CC7.N47.N58.O36 |
1936919 | CCCOc1ccc(COC(=O)c2cccnc2)cc1 | [C][C][C][O][C][=C][C][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc8cc1.c17cccnc1.CCC4.C37=O.O46.C58.O35 |
1936920 | CNc1nc(-c2ccc(OCCOC)cc2)cs1 | [C][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][O][C][C][O][C][C][=C][Ring1][O][=C][S][Ring1][S] | c17ccc5cc1.c16nc7cs1.C3C4.CN6.O35.O4C |
1936923 | CC(OC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2c([nH]c1=O)CCCC2=O.c16ccccc1.CC46.C35=O.O34 |
1936924 | CC(=O)c1cc(C(=O)OC(C)CCc2ccc3c(c2)OCO3)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Branch1][C][C][C][=Ring2][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c17cc6n(C)c1.C5(C)CC8.CC7=O.C46=O.O45 |
1936925 | CCc1nc(CNCCc2ccc3c(c2)OCO3)cs1 | [C][C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c16nc7cs1.C5C8.CC6.C47.N45 |
1936926 | Cc1nn(CCO)c(C)c1CN1CCN(CCO)CC1 | [C][C][=N][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2] | Cc1nn4c(C)c15.N12CCN3CC1.C4CO.C3CO.C25 |
1936927 | Cc1nn(CCO)c(C)c1CN1CCN(S(C)(=O)=O)CC1 | [C][C][=N][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | Cc1nn4c(C)c15.N12CCN3CC1.S3(C)(=O)=O.C4CO.C25 |
1936928 | CCc1nc(CNC2CCSc3ccc(Cl)cc32)cs1 | [C][C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][=C][S][Ring2][Ring1][C] | N4C1CCSc2ccc(Cl)cc21.c15nc6cs1.CC5.C46 |
1936930 | CNc1nc(-c2c(OC)cc(OC)cc2OC)cs1 | [C][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=C][S][Ring1][P] | c17c3cc4cc15.c16nc7cs1.CN6.O3C.O4C.O5C |
1936931 | CCS(=O)(=O)c1ccc(-c2csc(NC)n2)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][S][C][Branch1][Ring1][N][C][=N][Ring1][#Branch1][C][=C][Ring1][=N] | CCS(=O)(=O)c1ccc4cc1.c14csc3n1.N3C |
1936932 | CNc1nc(-c2ccc3c(c2)nc(C)n3C(C)C)cs1 | [C][N][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][Branch1][C][C][C][=C][S][Ring2][Ring1][C] | c16ccc2c(c1)nc(C)n25.c14nc6cs1.C5(C)C.CN4 |
1936933 | CNc1nc(-c2ccc3c(c2)nc(C(C)C)n3C)cs1 | [C][N][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][=Branch2][C][=C][S][Ring2][Ring1][C] | c16ccc2c(c1)nc5n2C.c14nc6cs1.C5(C)C.CN4 |
1936934 | CNc1nc(-c2ccc3c(c2)N(C)C(=O)CCO3)cs1 | [C][N][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][Ring1][#Branch2][=C][S][Ring2][Ring1][C] | c15ccc2c(c1)N(C)C(=O)CCO2.c14nc5cs1.CN4 |
1936935 | CNc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cs1 | [C][N][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][=C][S][Ring1][P] | c14ccc(S(=O)(=O)C(C)C)cc1.c13nc4cs1.CN3 |
1936936 | COc1ccc(N)cc1N1CCN(c2ncccn2)CC1 | [C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c13ccc(N)cc15.N15CCN4CC1.c14ncccn1.CO3 |
1936937 | Nc1cc(N2CCN(c3ncccn3)CC2)ccc1Cl | [N][C][=C][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][Cl] | Nc1cc5ccc1Cl.N15CCN4CC1.c14ncccn1 |
1936938 | Nc1ccc(Cl)c(N2CCN(c3ncccn3)CC2)c1 | [N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][Ring1] | Nc1ccc(Cl)c5c1.N15CCN4CC1.c14ncccn1 |
1936939 | Nc1ccc(N2CCN(c3ncccn3)CC2)cc1Cl | [N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C][Cl] | Nc1ccc5cc1Cl.N15CCN4CC1.c14ncccn1 |
1936940 | CN(CCO)C(=O)Cc1ccc2cc(N)ccc2n1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][C][N][C][=C][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cc(N)ccc2n1.C3(=O)C5.CN34.C4CO |
1936941 | CN(CCO)C(=O)Cc1ccc2cccc(N)c2n1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Branch1][C][N][C][Ring1][#Branch1][=N][Ring1][O] | c15ccc2cccc(N)c2n1.C3(=O)C5.CN34.C4CO |
1936942 | Cc1cnc(CNC(=O)C(C)(C)c2ccc(N)cc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring1] | c16ccc(N)cc1.Cc1cnc5s1.C3(=O)C6(C)C.C45.N34 |
1936943 | CNc1nc(-c2ccc(F)cc2)c(C(C)=O)s1 | [C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][#C] | c13nc5c4s1.c15ccc(F)cc1.C4(C)=O.CN3 |
1936944 | CC(=O)c1sc(C)nc1-c1ccc(F)c(Cl)c1 | [C][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(F)c(Cl)c1.c12sc(C)nc13.CC2=O |
1936945 | CNc1nc(-c2ccc(OC)c(Cl)c2)c(C(C)=O)s1 | [C][N][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][P] | c16ccc3c(Cl)c1.c14nc6c5s1.C5(C)=O.CN4.O3C |
1936946 | CCc1nc(CNc2ccccc2N2CC(C)OC(C)C2)cs1 | [C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][S][Ring2][Ring1][Branch1] | N15CC(C)OC(C)C1.c14ccccc15.c16nc7cs1.CC6.C37.N34 |
1936947 | Cn1cc(CNc2ccc3ccccc3c2)c(-c2ccncc2)n1 | [C][N][C][=C][Branch1][P][C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | c15ccc2ccccc2c1.Cn1cc6c7n1.c17ccncc1.C46.N45 |
1936948 | Cc1nc2cc(NCc3cn(C)nc3-c3ccncc3)ccc2o1 | [C][C][=N][C][=C][C][Branch2][Ring1][Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] | Cc1nc2cc5ccc2o1.c16cn(C)nc17.c17ccncc1.N45.C46 |
1936949 | Cn1cc(CNc2cccc(N3CCCC3=O)c2)c(-c2ccncc2)n1 | [C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | Cn1cc6c8n1.c15cccc7c1.N17CCCC1=O.c18ccncc1.C46.N45 |
1936950 | Cn1cc(CNc2ccc(NC(=O)C3CC3)cc2)c(-c2cccnc2)n1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | Cn1cc9c%10n1.c16ccc7cc1.c1%10cccnc1.C48=O.C18CC1.C59.N56.N47 |
1936951 | CCc1nc(CNc2ccc(N3CCOCC3)cn2)cs1 | [C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=C][S][Ring2][Ring1][Ring1] | c15ccc6cn1.c17nc8cs1.N16CCOCC1.CC7.C48.N45 |
1936952 | CC(C)(C)c1nc(CNc2ccc(N3CCOCC3)cn2)cs1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][N][=C][S][Ring2][Ring1][Ring1] | c15ccc6cn1.c17nc8cs1.N16CCOCC1.CC7(C)C.C48.N45 |
1936953 | Cn1cc(CNc2ccc(-n3ccnc3)cc2)c(-c2cccnc2)n1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cn1cc6c8n1.c15ccc7cc1.c18cccnc1.n17ccnc1.C46.N45 |
1936954 | Cn1cc(CNc2ccc3c(c2)CCC(=O)N3)c(-c2cccnc2)n1 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | c15ccc2c(c1)CCC(=O)N2.Cn1cc6c7n1.c17cccnc1.C46.N45 |
1936955 | Cn1cc(CNc2cccc(Cn3cccn3)c2)c(-c2cccnc2)n1 | [C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | Cn1cc7c9n1.c15cccc8c1.c19cccnc1.n16cccn1.C47.N45.C68 |
1936957 | Cc1nn(CCO)c(C)c1CNc1ccc(N2CCOC2=O)cc1 | [C][C][=N][N][Branch1][Ring2][C][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][N] | Cc1nn5c(C)c16.c14ccc7cc1.N17CCOC1=O.C5CO.C36.N34 |
1936958 | Cc1c(CNC(C)Cc2ccccc2F)cc(C#N)n1C | [C][C][=C][Branch1][P][C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Branch1][Ring1][C][#N][N][Ring2][Ring1][Ring1][C] | Cc1c5cc(C#N)n1C.c16ccccc1F.C4(C)C6.C35.N34 |
1936959 | CCOC(=O)N(C)c1ccc(NCc2ccco2)cc1 | [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N] | c17ccc8cc1.c19ccco1.C34=O.N47C.CC5.O35.N68.C69 |
1936960 | CCOC(=O)N(C)c1ccc(NCc2ccc(C)o2)cc1 | [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc8cc1.c19ccc(C)o1.C34=O.N47C.CC5.O35.N68.C69 |
1936961 | Cc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccn1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][C][=N][Ring2][Ring1][Ring2] | Cc1cc7ccn1.N16CCN4CC1.C5(C)(C)C.C34=O.C67.O35 |
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