ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928940 | c1cc(COCC2CCC3C(CCN3Cc3nccs3)O2)ccn1 | [C][=C][C][Branch2][Ring1][O][C][O][C][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][C][=N][C][=C][S][Ring1][Branch1][O][Ring1][#C][=C][C][=N][Ring2][Ring1][Branch2] | C17CCC2C(CCN26)O1.c1cc9ccn1.c18nccs1.C49.O45.C57.C68 |
1928942 | O=C(c1ccc[nH]1)N1CCC2OC(COCc3ccccn3)CCC21 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C] | N14CCC2OC8CCC21.c19ccccn1.c17ccc[nH]1.O=C47.C58.O56.C69 |
1928943 | CCN1C(=O)CCC2C1CCN2C(=O)c1ccc2[nH]ccc2c1 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | N15C(=O)CCC2C1CCN23.c14ccc2[nH]ccc2c1.C34=O.CC5 |
1928944 | COCCN1C(=O)CCC2C1CCN2C(=O)c1ccc2[nH]ccc2c1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2] | N16C(=O)CCC2C1CCN23.c15ccc2[nH]ccc2c1.C4C6.C35=O.CO4 |
1928945 | O=C1CCC2C(CCN2C(=O)c2ccc[nH]2)N1CC1CC1 | [O][=C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][N][Ring1][S][C][C][C][C][Ring1][Ring1] | O=C1CCC2C(CCN23)N15.c14ccc[nH]1.C34=O.C16CC1.C56 |
1928946 | O=C1CCC2C(CCN2c2ncc(F)cn2)N1CC1CCOCC1 | [O][=C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][N][Ring1][S][C][C][C][C][O][C][C][Ring1][=Branch1] | O=C1CCC2C(CCN23)N14.c13ncc(F)cn1.C15CCOCC1.C45 |
1928947 | Cc1cnc(N2CCC3C2CCC(=O)N3CC2CCOCC2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1] | N14CCC2C1CCC(=O)N25.Cc1cnc4nc1.C16CCOCC1.C56 |
1928948 | O=C1CCC2C(CCN2C(=O)c2cnccn2)N1CC1CCOCC1 | [O][=C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][P][C][C][C][C][O][C][C][Ring1][=Branch1] | O=C1CCC2C(CCN23)N15.c14cnccn1.C16CCOCC1.C34=O.C56 |
1928949 | Cc1occc1C(=O)N1CCC2C1CCC(=O)N2Cc1cccnc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N13CCC2C1CCC(=O)N25.Cc1occc14.c16cccnc1.C34=O.C56 |
1928950 | O=C1CCC2C(CCN2Cc2nccs2)N1Cc1ccncc1 | [O][=C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][C][=N][C][=C][S][Ring1][Branch1][N][Ring1][#C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1CCC2C(CCN23)N14.c16ccncc1.c15nccs1.C35.C46 |
1928952 | O=C1CCC2C(CCN2C(=O)C2CCOCC2)N1Cc1ccncc1 | [O][=C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][N][Ring1][P][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1CCC2C(CCN23)N15.C14CCOCC1.c16ccncc1.C34=O.C56 |
1928953 | COc1cc(N2CCC3C2CCC(=O)N3c2ccccc2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][=Branch1] | N15CCC2C1CCC(=O)N26.c14cc5ncn1.c16ccccc1.CO4 |
1928954 | O=C(c1cccs1)N1CCC2C1CCC(=O)N2c1ccccc1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC2C1CCC(=O)N25.c15ccccc1.c14cccs1.O=C34 |
1928955 | Cc1oncc1C(=O)N1CCC2C1CCC(=O)N2c1cnn(C)c1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | N13CCC2C1CCC(=O)N25.Cc1oncc14.c15cnn(C)c1.C34=O |
1928956 | Cn1cc(N2C(=O)CCC3C2CCN3S(=O)(=O)C2CC2)cn1 | [C][N][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Branch1] | N15C(=O)CCC2C1CCN24.Cn1cc5cn1.S4(=O)(=O)C1CC1 |
1928957 | Cc1cccc(CN2C(=O)CCC3C2CCN3C(=O)C2CCC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][Ring2][Ring1][#Branch1] | N16C(=O)CCC2C1CCN24.Cc1cccc7n1.C15CCC1.C45=O.C67 |
1928958 | CC(=O)N1CCC2OC(C(=O)Nc3nc(C)cs3)CC21 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][Ring1][=C][Ring1][P] | N14CCC2OC7CC21.c16nc(C)cs1.CC4=O.C57=O.N56 |
1928959 | Cc1nc(CN2CCC3OC(COCC4CC4)CCC32)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][C][C][O][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][N][Ring1][#C][=C][S][Ring2][Ring1][Branch1] | N17CCC2OC8CCC21.Cc1nc9cs1.C1%10CC1.C79.C58.O56.C6%10 |
1928960 | O=C(c1ccsc1)N1CCC2OC(COc3cccnc3)CCC21 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][O][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Ring1][P] | N14CCC2OC8CCC21.c16cccnc1.c17ccsc1.O=C47.C58.O56 |
1928961 | O=C(c1ccno1)N1CCC2OC(COc3cccnc3)CCC21 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][O][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C][Ring1][P] | N14CCC2OC8CCC21.c16cccnc1.c17ccno1.O=C47.C58.O56 |
1928962 | CC(=O)N1CCC2OC(COCc3csc(C)n3)CCC21 | [C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][=C][C][O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C] | N14CCC2OC7CCC21.c18csc(C)n1.CC4=O.C57.O56.C68 |
1928963 | Cc1nc(COCC2CCC3C(CCN3C(N)=O)O2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][O][C][C][C][C][C][C][Branch1][O][C][C][N][Ring1][Branch1][C][Branch1][C][N][=O][O][Ring1][N][=C][S][Ring2][Ring1][Ring2] | C17CCC2C(CCN24)O1.Cc1nc8cs1.C4(N)=O.C58.O56.C67 |
1928964 | CN(C)C(=O)NC1CN(Cc2cnn(C)c2)C2CCCOC12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C16CN5C2CCCOC12.c17cnn(C)c1.CN3C.C34=O.N46.C57 |
1928966 | Cn1cc(CN2CC(NC(=O)c3cccn3C)C3OCCCC32)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][O][C][C][C][C][Ring1][=Branch1][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | N15CC6C2OCCCC21.Cn1cc8cn1.c17cccn1C.C47=O.C58.N46 |
1928967 | CN(C)C(=O)C1CCC2C(CCN2S(C)(=O)=O)O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][=N] | C15CCC2C(CCN24)O1.S4(C)(=O)=O.CN3C.C35=O |
1928969 | CNC(=O)C1CCC2C(CCN2C(=O)N(C)C)O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][#C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][=C] | C16CCC2C(CCN24)O1.C36=O.C45=O.N5(C)C.CN3 |
1928970 | Cc1ccc(N2CCC3OC(C(=O)N4CCC(C)CC4)CCC32)nn1 | [C][C][=C][C][=C][Branch2][Ring1][S][N][C][C][C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][#C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N16CCC2OC7CCC21.Cc1ccc6nn1.N15CCC(C)CC1.C57=O |
1928971 | O=C(Nc1cccnc1)C1CCC2C(CCN2c2ccncn2)O1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][=C][C][=N][C][=N][Ring1][=Branch1][O][Ring1][#C] | C16CCC2C(CCN24)O1.c15cccnc1.c14ccncn1.O=C36.N35 |
1928972 | CN(C)C(=O)C1CCC2C(CCN2Cc2cnn(C)c2)O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][Ring1][S] | C15CCC2C(CCN24)O1.c16cnn(C)c1.CN3C.C35=O.C46 |
1928973 | COCCNC(=O)C1CCC2C(CCN2S(C)(=O)=O)O1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][=N] | C17CCC2C(CCN26)O1.S6(C)(=O)=O.C4C5.C37=O.CO4.N35 |
1928974 | CNC(=O)C1CCC2C(CCN2C(=O)N2CCCC2)O1 | [C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][S] | C16CCC2C(CCN24)O1.N15CCCC1.C36=O.C45=O.CN3 |
1928975 | O=C(c1ccno1)N1CCC2C(COC2CNc2ncccn2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][C][Branch1][S][C][O][C][Ring1][Branch1][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][P] | N13CCC2C(COC27)C1.c15ncccn1.c16ccno1.O=C36.C47.N45 |
1928976 | Cn1nc(C(=O)N2CCOCC2)c2c1CN(Cc1ccoc1)CC2 | [C][N][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][N] | Cn1nc5c2c1CN4CC2.N13CCOCC1.c16ccoc1.C35=O.C46 |
1928978 | CN(C)C(=O)c1n[nH]c2c1CN(Cc1cccnc1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N] | c15n[nH]c2c1CN4C2.c16cccnc1.CN3C.C35=O.C46 |
1928979 | COc1ncccc1CN1Cc2c(C(=O)N(C)C)nn(C)c2C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][O][C][Ring1][=C] | N15Cc2c6nn(C)c2C1.c14ncccc17.C36=O.N3(C)C.CO4.C57 |
1928980 | Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1nccs1)C2 | [C][N][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O] | Cn1nc5c2c1CN4C2.N13CCCC1.c16nccs1.C35=O.C46 |
1928981 | O=C(c1nc2c(s1)CCN(Cc1ccoc1)CC2)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=C][N][C][C][C][C][Ring1][Branch1] | c15nc2c(s1)CCN4CC2.c16ccoc1.N13CCCC1.O=C35.C46 |
1928982 | Cc1ncnc2c1CCN(C(=O)c1cccc(F)c1)CC2 | [C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S] | Cc1ncnc2c1CCN3CC2.c14cccc(F)c1.C34=O |
1928983 | Cc1ncnc2c1CCN(C(=O)c1cccc(Cl)c1)CC2 | [C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][S] | Cc1ncnc2c1CCN3CC2.c14cccc(Cl)c1.C34=O |
1928984 | O=C(N1CCCC1)N1CCc2ncnc(-c3cccnc3)c2CC1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring1][P] | N15CCc2ncnc6c2CC1.c16cccnc1.N14CCCC1.O=C45 |
1928985 | Cc1cnc(C(=O)N2CCc3ncnc(-c4ccoc4)c3CC2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S][C][=N][Ring2][Ring1][Branch2] | N15CCc2ncnc7c2CC1.Cc1cnc6cn1.c17ccoc1.C56=O |
1928986 | c1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)ccn1 | [C][=C][C][Branch2][Ring1][O][C][N][C][C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring1][P][=C][C][=N][Ring2][Ring1][Branch2] | N15CCc2ncnc7c2CC1.c1cc6ccn1.c17ccncc1.C56 |
1928988 | CN(C)c1ncnc2c1CCN(C(=O)c1ccc(F)cc1)CC2 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S] | c14ncnc2c1CCN3CC2.c15ccc(F)cc1.CN4C.C35=O |
1928989 | CN(C)c1ncnc2c1CCN(C(=O)c1cccc(F)c1)CC2 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S] | c14ncnc2c1CCN3CC2.c15cccc(F)c1.CN4C.C35=O |
1928990 | CCS(=O)(=O)N1Cc2nccn2CC(COC)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][Ring2][C][O][C][C][Ring1][=N] | N14Cc2nccn2CC5C1.CCS4(=O)=O.C35.O3C |
1928991 | O=S(=O)(C1CC1)N1Cc2nccn2CC(Cn2cncn2)C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][S] | N13Cc2nccn2CC5C1.O=S3(=O)C1CC1.n14cncn1.C45 |
1928992 | Cc1noc(C2CN(Cc3ccccn3)Cc3ccnn3C2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | C16CN4Cc2ccnn2C1.Cc1noc6n1.c15ccccn1.C45 |
1928993 | Cc1noc(C2CN(C(=O)Cc3ccccn3)Cc3ccnn3C2)n1 | [C][C][=N][O][C][Branch2][Ring1][#C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | C16CN4Cc2ccnn2C1.Cc1noc6n1.c15ccccn1.C4(=O)C5 |
1928994 | O=C(NCc1cccnc1)C1CN(C2CCOC2)Cc2ccnn2C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring1][#C] | C16CN5Cc2ccnn2C1.c17cccnc1.C15CCOC1.O=C36.N34.C47 |
1928995 | Cc1csc(NC(=O)C2CN(C3CCOC3)Cc3ccnn3C2)n1 | [C][C][=C][S][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] | C17CN6Cc2ccnn2C1.Cc1csc5n1.C16CCOC1.C47=O.N45 |
1928996 | CCOCC1CN(C(=O)c2cc(C)on2)Cc2ccnn2C1 | [C][C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C] | C17CN3Cc2ccnn2C1.c16cc(C)on1.C36=O.CC4.O45.C57 |
1928997 | CCOCC1CN(C(=O)Cc2cccs2)Cc2ccnn2C1 | [C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C] | C17CN3Cc2ccnn2C1.c16cccs1.C3(=O)C6.CC4.O45.C57 |
1928998 | C=CCOCC1CN(C(=O)c2cc(C)on2)Cc2ccnn2C1 | [C][=C][C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C] | C17CN3Cc2ccnn2C1.c16cc(C)on1.C=CC4.C36=O.O45.C57 |
1928999 | C=CCOCC1CN(C(=O)Cc2cccs2)Cc2ccnn2C1 | [C][=C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C] | C17CN3Cc2ccnn2C1.c16cccs1.C3(=O)C6.C=CC4.O45.C57 |
1929002 | COCc1cncc2c1CCN(Cc1csc(C)n1)C2 | [C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][=N] | c16cncc2c1CCN4C2.c15csc(C)n1.CO3.C36.C45 |
1929004 | COCc1cncc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 | [C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][P] | c17cncc2c1CCN4C2.c16ccc2[nH]ccc2c1.C46=O.CO5.C57 |
1929005 | COCc1cncc2c1CCN(C(=O)C1CCCCC1)C2 | [C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C] | c16cncc2c1CCN3C2.C15CCCCC1.C35=O.CO4.C46 |
1929006 | CCOCc1cncc2c1CCN(Cc1csc(C)n1)C2 | [C][C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][=N] | c17cncc2c1CCN5C2.c16csc(C)n1.CC3.O34.C47.C56 |
1929010 | C=CCOCc1cncc2c1CCN(C(=O)c1ccc3[nH]ccc3c1)C2 | [C][=C][C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][P] | c18cncc2c1CCN4C2.c17ccc2[nH]ccc2c1.C=CC5.C47=O.O56.C68 |
1929011 | CN(C)C(=O)COCc1cncc2c1CCN(Cc1ccoc1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][N] | c17cncc2c1CCN6C2.c18ccoc1.C3(=O)C4.CN3C.O45.C57.C68 |
1929012 | c1cc(CN2CCc3c(COCC4CC4)cncc3C2)cs1 | [C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N17CCc2c%10cncc2C1.c1cc9cs1.C18CC1.C79.C5%10.O56.C68 |
1929013 | O=C(c1ccco1)N1CCc2c(COCC3CC3)cncc2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S] | N14CCc2c9cncc2C1.c17ccco1.O=C47.C18CC1.C59.O56.C68 |
1929014 | O=C(c1ccsc1)N1CCc2c(COCC3CC3)cncc2C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S] | N14CCc2c9cncc2C1.c17ccsc1.O=C47.C18CC1.C59.O56.C68 |
1929015 | Cc1ccc(C(=O)N2CCc3c(COCC4CC4)cncc3C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S][O][Ring2][Ring1][#Branch1] | N15CCc2c%10cncc2C1.Cc1ccc8o1.C58=O.C19CC1.C6%10.O67.C79 |
1929016 | O=C(c1cccs1)N1CCc2c(COCC3CC3)cncc2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Ring1][N][C][Ring1][S] | N14CCc2c9cncc2C1.c17cccs1.O=C47.C18CC1.C59.O56.C68 |
1929017 | CN(C)C(=O)CN1CCc2c(COCc3cccnc3)cncc2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][=C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1] | N17CCc2c8cncc2C1.c19cccnc1.C4(=O)C7.CN4C.C58.O56.C69 |
1929019 | CN(C)C(=O)CN1CCc2c(COCc3ccncc3)cncc2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][=C][Branch1][N][C][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1] | N17CCc2c8cncc2C1.c19ccncc1.C4(=O)C7.CN4C.C58.O56.C69 |
1929020 | O=C(NC1CCc2[nH]c(=O)ccc2C1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][C][NH1][C][=Branch1][C][=O][C][=C][C][=Ring1][#Branch1][C][Ring1][O][C][C][C][C][O][Ring1][Branch1] | C14CCc2[nH]c(=O)ccc2C1.C15CCCO1.O=C35.N34 |
1929021 | COCCn1c2c(ccc1=O)CC(NCc1ccco1)CC2 | [C][O][C][C][N][C][=C][Branch1][#Branch1][C][=C][C][Ring1][=Branch1][=O][C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][P] | n16c2c(ccc1=O)CC5CC2.c17ccco1.C3C6.CO3.N45.C47 |
1929022 | COCCn1c2c(ccc1=O)CC(NC(=O)C1CCCO1)CC2 | [C][O][C][C][N][C][=C][Branch1][#Branch1][C][=C][C][Ring1][=Branch1][=O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring2][Ring1][C] | n17c2c(ccc1=O)CC5CC2.C16CCCO1.C4C7.C36=O.CO4.N35 |
1929023 | C=CCn1c2c(ccc1=O)CC(NC(=O)C1CCCO1)CC2 | [C][=C][C][N][C][=C][Branch1][#Branch1][C][=C][C][Ring1][=Branch1][=O][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring2][Ring1][C] | n16c2c(ccc1=O)CC4CC2.C15CCCO1.C=CC6.C35=O.N34 |
1929024 | CCS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#C] | C14CCc2c(ccc(=O)n25)C1.CCS3(=O)=O.C16CC1.N34.C56 |
1929025 | CCCS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#C] | C14CCc2c(ccc(=O)n25)C1.CCCS3(=O)=O.C16CC1.N34.C56 |
1929026 | O=c1ccc2c(n1CC1CC1)CCC(NS(=O)(=O)C1CC1)C2 | [O][=C][C][=C][C][=C][Branch1][#Branch2][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][C][C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C] | O=c1ccc2c(n15)CCC4C2.S3(=O)(=O)C1CC1.C16CC1.C56.N34 |
1929027 | CCCCS(=O)(=O)NC1CCc2c(ccc(=O)n2CC2CC2)C1 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][S][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#C] | C14CCc2c(ccc(=O)n25)C1.CCCCS3(=O)=O.C16CC1.N34.C56 |
1929028 | COc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1 | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][=N][Ring2][Ring1][Ring1] | c14cc(C)c2c(N)c5oc2n1.c16ccccc1.C56=O.CO4 |
1929029 | CC(=O)Nc1cccc(CCCCc2ccccc2)n1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S] | c14cccc5n1.c16ccccc1.C5CCC6.CC3=O.N34 |
1929030 | CC(=O)Nc1cccc(-c2cc3ccccc3o2)n1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring1][#C] | c16cc2ccccc2o1.c15cccc6n1.CC4=O.N45 |
1929031 | COc1ccc(OC(=O)CSc2nnc(-c3ccco3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.c18nnc9n1C.c19ccco1.C4(=O)C7.CO5.O46.S78 |
1929032 | Cn1c(=O)n(CC(=O)c2ccc3c(c2)CCC3)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | Cn1c(=O)n5c2ccccc21.c14ccc2c(c1)CCC2.C5C4=O |
1929033 | COc1coc(CSc2cccc3cccnc23)cc1=O | [C][O][C][=C][O][C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][Ring2][Ring1][C][=O] | c17cccc2cccnc12.c14coc6cc1=O.CO4.C56.S57 |
1929035 | O=C(Nc1cccc(F)c1)c1ccc(=O)n(-c2ccccc2)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N] | c15ccc(=O)n6c1.c14cccc(F)c1.c16ccccc1.O=C35.N34 |
1929036 | CC(C)n1cc(N2CC(C(=O)NCc3cccnc3)CC2=O)cn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=N][Ring2][Ring1][Branch1] | N19CC6CC1=O.n17cc9cn1.c18cccnc1.CC7C.C46=O.N45.C58 |
1929037 | CC(C)Cn1cc(N2CC(C(=O)NCc3cccnc3)CC2=O)cn1 | [C][C][Branch1][C][C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=N][Ring2][Ring1][Branch1] | N19CC6CC1=O.n17cc9cn1.c18cccnc1.CC(C)C7.C46=O.N45.C58 |
1929039 | Cn1cc(N2CC(C(=O)NC3CCCCC3)CC2=O)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=N][Ring2][Ring1][Ring2] | N17CC6CC1=O.Cn1cc7cn1.C15CCCCC1.C46=O.N45 |
1929040 | Cn1nccc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N14CCN6CC1.Cn1nccc17.c16ccccc1.C5C4=O.C37=O.N35 |
1929041 | Cn1nccc1C(=O)NCC(=O)N1CCCCCC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | N13CCCCCC1.Cn1nccc15.C4C3=O.C25=O.N24 |
1929042 | Cn1nccc1C(=O)NCCC(=O)Nc1cccc(C(N)=O)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2] | c15cccc7c1.Cn1nccc16.C4CC3=O.C26=O.C7(N)=O.N24.N35 |
1929043 | Cc1ccc(C(N)=O)cc1NC(=O)CCNC(=O)c1ccnn1C | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1ccc7cc15.c16ccnn1C.C2(=O)CC4.C7(N)=O.C36=O.N25.N34 |
1929044 | COc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.c18ccnn1C.C3(=O)CC6.C48=O.CO5.N37.N46 |
1929045 | Cn1nccc1C(=O)NCCC(=O)Nc1ccccc1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nccc16.c15ccccc1.C4CC3=O.C26=O.N24.N35 |
1929046 | Cn1nccc1C(=O)NCCC(=O)NC1CCCCC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cn1nccc16.C15CCCCC1.C4CC3=O.C26=O.N24.N35 |
1929047 | COc1ccc(OC)c(NC(=O)CCNC(=O)c2ccnn2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc6c8c1.c19ccnn1C.C3(=O)CC7.C49=O.CO5.O6C.N38.N47 |
1929049 | COc1cccc(NC(=O)CCNC(=O)c2ccnn2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c18ccnn1C.C3(=O)CC6.C48=O.CO5.N37.N46 |
1929050 | CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c17ccc8cc1.c19ccnn1C.C4(=O)CC6.CC3=O.C59=O.N37.N48.N56 |
1929051 | CC(C)c1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c18ccc6cc1.c17ccnn1C.C3(=O)CC5.CC8C.C47=O.N36.N45 |
1929052 | CCOc1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.c19ccnn1C.C3(=O)CC7.C49=O.CC5.O56.N38.N47 |
1929055 | Cc1cc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)n(C)n1 | [C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | c17ccc2c(c1)CCC2.Cc1cc8n(C)n1.C6C5=O.C48=O.N46.N57 |
1929056 | Cc1cc(C(=O)NCCC(=O)NCc2c(C)nn(C)c2C)n(C)n1 | [C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][N][Branch1][C][C][N][=Ring2][Ring1][#Branch1] | c18c(C)nn(C)c1C.Cc1cc7n(C)n1.C5CC4=O.C37=O.N35.N46.C68 |
1929057 | Cc1cc(C(=O)NCCC(=O)Nc2cccc(C(N)=O)c2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][Branch1][C][C][N][=Ring2][Ring1][#Branch1] | Cc1cc7n(C)n1.c16cccc8c1.C5CC4=O.C37=O.C8(N)=O.N35.N46 |
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