ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
40887 | CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][S][C] | c19c6sc8c1C.c17ccco1.C39=O.C47=O.C8(N)=O.CC5.O35.N46 |
40889 | COC(=O)c1c(NC(=O)C2CC3CCC2C3)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][S][C] | c18c6sc(C)c1C.C17CC2CCC1C2.C48=O.C57=O.CO4.N56 |
40890 | O=C(COc1cccc(Cl)c1)NCc1ccc(F)cc1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c16ccc(F)cc1.O=C2C3.O34.N25.C56 |
40891 | O=C(NCc1cccc(F)c1)c1ccccc1Cl | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15cccc(F)c1.c14ccccc1Cl.O=C24.N23.C35 |
40892 | CC1CN(C(=O)c2cccnc2)C(C)CN1C(=O)c1cccnc1 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC1CN3C(C)CN14.c15cccnc1.c16cccnc1.C35=O.C46=O |
40893 | CCOC(=O)c1c(NC(=O)C2CC2)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=C][C] | c19c6sc7c1C.C39=O.C48=O.C18CC1.C7(N)=O.CC5.O35.N46 |
40895 | CC(=O)Nc1cccc(NC(=O)C(C)Oc2cccc(Cl)c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c17cccc8c1.c16cccc(Cl)c1.C4(=O)C5C.CC3=O.N37.N48.O56 |
40896 | CCOc1ncccc1C(=O)Nc1sc(C)c(C)c1C(=O)OC | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C] | c16sc(C)c(C)c18.c15ncccc17.C37=O.C28=O.CC4.O45.N36.O2C |
40898 | CCOC(=O)c1c(NC(=O)c2ccccc2C)sc(C(N)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][C][C] | c18c6sc7c1C.c19ccccc1C.C38=O.C49=O.C7(N)=O.CC5.O35.N46 |
40899 | O=C(NCCC(c1ccccc1)c1ccccc1)C1CCCO1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c15ccccc1.c16ccccc1.C3CC56.C14CCCO1.O=C24.N23 |
40902 | NC(=O)c1ccccc1NC(=O)COc1c(F)c(F)cc(F)c1F | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F] | c14c(F)c(F)cc(F)c1F.c16ccccc15.C2(=O)C3.NC6=O.N25.O34 |
40903 | O=C(Cn1cnnn1)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.c14ccccc1.n15cnnn1.O=C3C5 |
40904 | CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)nc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][=C][Ring1][#C] | CC1CCCCN13.c16ccc5nc1.N14CCCCC1C.C36=O.C45=O |
40905 | COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCC2 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c16ccc2c(c1)CCC2.c14cccc5c17.C37=O.CO4.O5C.N36 |
40906 | CC(C)CNC(=O)c1cccc(C(=O)NCC(C)C)n1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=N][Ring1][=N] | c16cccc7n1.CC(C)C4.C5C(C)C.C26=O.C37=O.N24.N35 |
40907 | COc1cc(OC)cc(C(=O)Nc2cccc3ccc(C)nc23)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1] | c17cccc2ccc(C)nc12.c15cc6cc8c1.C48=O.CO5.O6C.N47 |
40908 | Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nn1C | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][=N][N][Ring2][Ring1][Ring1][C] | c14cc6ccc1Cl.Cc1cc5nn1C.C6(F)(F)F.C35=O.N34 |
40910 | Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][Branch1][C][C][N][=Ring1][P] | c14ccc(C)c(Cl)c1.Cc1cc5n(C)n1.C35=O.N34 |
40911 | CCC(Oc1ccccc1)C(=O)Nc1ncccc1Cl | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ncccc1Cl.CCC3C2=O.c14ccccc1.O34.N25 |
40912 | COc1ccc(CC(=O)n2nc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | C5C(=O)n1nc(C)cc1C.c13ccc5cc14.CO3.O4C |
40913 | Cc1nc(NC(=O)CCC2CCCC2)sc1C(=O)N(C)C | [C][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc5sc16.C3(=O)CC7.C17CCCC1.C46=O.N4(C)C.N35 |
40915 | COc1ccc(CCC(=O)Nc2ccccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c15ccccn1.C6CC3=O.CO4.N35 |
40920 | COc1cc2c(cc1OC)C(c1ccccc1F)OC(=O)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=Branch1][C][=O][C][Ring2][Ring1][C] | c13cc2c(cc14)C(c1ccccc1F)OC(=O)C2.CO3.O4C |
40921 | c1nc(N2CCOCC2)c2c3c(sc2n1)CCC3 | [C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#C][C][C][C][Ring1][Branch2] | c1nc4c2c3c(sc2n1)CCC3.N14CCOCC1 |
40922 | O=C(c1ccco1)n1c(=O)oc2ccccc2c1=O | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] | O=C3n1c(=O)oc2ccccc2c1=O.c13ccco1 |
40923 | CCn1ncc(C(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c1C | [C][C][N][N][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O][=C][Ring2][Ring1][Branch1][C] | c15sc2c(c17)CCC(C)C2.n18ncc6c1C.C46=O.C7(N)=O.CC8.N45 |
40924 | Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | Cc1cc4nc(C)c1.c15ccc(Cl)cc1.C35=O.N34 |
40925 | CCn1ncc(C(=O)NCc2ccc(Cl)cc2)c1C | [C][C][N][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C] | n16ncc5c1C.c17ccc(Cl)cc1.C35=O.CC6.N34.C47 |
40926 | FC(F)(F)C1CC(c2ccco2)Nc2ncnn21 | [F][C][Branch1][C][F][Branch1][C][F][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=C] | FC(F)(F)C1CC3Nc2ncnn21.c13ccco1 |
40927 | Cc1ccccc1Cn1ccc(NC(=O)c2nn(C)cc2Cl)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][#C] | Cc1ccccc17.c15nn(C)cc1Cl.n16ccc4n1.C35=O.C67.N34 |
40928 | Cc1ccc(Cn2ccc(NC(=O)c3nn(C)cc3Cl)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c16nn(C)cc1Cl.n17ccc5n1.C46=O.C78.N45 |
40929 | CCn1cc(Br)c(C(=O)Nc2ccccc2F)n1 | [C][C][N][C][=C][Branch1][C][Br][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][S] | n16cc(Br)c5n1.c14ccccc1F.C35=O.CC6.N34 |
40930 | O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1] | n14nc5c2c1CCC2.N13CCOCC1.O=C3C4.C5(F)(F)F |
40931 | N#CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 | [N][#C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][=C] | c14ccc(Cl)c(Cl)c1.N13CCN4CC1.N#CCC3=O |
40932 | COC(=O)c1c(NC(=O)C(C)Oc2ccccc2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][P][C][C][C][Ring1][Branch1] | c18c7sc2c1CCC2.c16ccccc1.C4(=O)C5C.C38=O.CO3.N47.O56 |
40933 | Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][C][O][Ring1][P] | c14ccc(F)c(Cl)c1.Cc1cc5c(C)o1.C35=O.N34 |
40935 | Cc1cccc(N2CCN(C(=O)c3cc(C)oc3C)CC2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | N15CCN4CC1C.Cc1cccc5c1.c16cc(C)oc1C.C46=O |
40936 | COc1cc(CNC(=O)c2cnn(C)c2C)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14cc5cc8c1.c17cnn(C)c1C.C37=O.CO4.C68.N36.O5C |
40937 | CCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=C][Ring2][Ring1][Branch1] | c16cccc8c1.c17cnn9c1.c1%10ccccc1.C48=O.CC5.O56.N47.C9%10 |
40938 | CCn1ncc(Cl)c1C(=O)Nc1ccc2c(c1)CCC2 | [C][C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)CCC2.n16ncc(Cl)c15.C35=O.CC6.N34 |
40939 | Cc1cccc(NC(=O)Cn2nc(C(F)F)cc2C)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][C] | Cc1cccc4c1C.n15nc6cc1C.C3(=O)C5.C6(F)F.N34 |
40940 | Cn1ncc(Cl)c1C(=O)Nc1nc2ccccc2n1C | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.Cn1ncc(Cl)c15.C35=O.N34 |
40941 | O=C(Nc1ccn(Cc2ccc(F)cc2)n1)C1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][=N][C][C][C][C][C][Ring1][Branch1] | c17ccc(F)cc1.c14ccn6n1.C15CCCC1.O=C35.N34.C67 |
40942 | Cc1ccc(S(=O)(=O)N(C)Cc2c(C)nn(C)c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S4(=O)=O)cc1.c15c(C)nn(C)c1C.N34C.C35 |
40943 | Cc1onc(-c2ccccc2)c1C(=O)NCc1cnn(C)c1C | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C] | Cc1onc7c15.c16cnn(C)c1C.c17ccccc1.C35=O.N34.C46 |
40944 | CCn1ccc(C(=O)Nc2cc(C)ccc2OC)n1 | [C][C][N][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=N][Ring1][P] | c15cc(C)ccc14.n17ccc6n1.C36=O.CC7.N35.O4C |
40945 | Cc1onc(-c2ccccc2)c1C(=O)NCc1cnn(C)c1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16cnn(C)c1.C35=O.N34.C46 |
40946 | CCn1nccc1C(=O)Nc1ccccc1SC | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C] | c13ccccc16.n15nccc14.C24=O.CC5.N23.S6C |
40947 | COc1ccc(NC(=O)c2c(Cl)cnn2C)c(C)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring1][P] | c14ccc5c(C)c1.c16c(Cl)cnn1C.C36=O.CO4.N35 |
40948 | COC(=O)c1ccc(C)c(NC(=O)c2cn(C)nc2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc(C)c5c1.c17cn(C)nc1C.C36=O.C47=O.CO3.N45 |
40949 | CCn1ncc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1C | [C][C][N][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][Ring1][O][=C][Ring2][Ring1][Ring1][C] | c15ccc(S4(=O)=O)cc1.n17ncc6c1C.C36=O.CC7.N35.N4C |
40950 | COc1ccc(C)cc1NC(=O)c1c(Cl)c(C)nn1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c13ccc(C)cc14.c15c(Cl)c(C)nn1C.C25=O.CO3.N24 |
40951 | Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1CCCC1 | [C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1] | Cc1nn6c(C)c14.c17ccc(F)cc1.C15CCCC1.C35=O.C67.N34 |
40952 | CCn1ncc(Cl)c1C(=O)Nc1ccc(OC)cc1 | [C][C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n16ncc(Cl)c15.c14ccc3cc1.C25=O.CC6.N24.O3C |
40953 | CCn1ccc(C(=O)Nc2c(C)cc(C)cc2C)n1 | [C][C][N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=N][Ring1][P] | c14c(C)cc(C)cc1C.n16ccc5n1.C35=O.CC6.N34 |
40954 | Cc1c(C(=O)Nc2ccccc2C(N)=O)cnn1C | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=N][N][Ring1][P][C] | Cc1c5cnn1C.c14ccccc16.C35=O.C6(N)=O.N34 |
40956 | Cc1c(Cl)c(C(=O)Nc2nc3ccccc3n2C)nn1C | [C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=N][N][Ring2][Ring1][Ring1][C] | c15nc2ccccc2n1C.Cc1c(Cl)c6nn1C.C46=O.N45 |
40957 | CCOc1cccc(C(=O)Nc2c(C)nn(CC)c2C)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16c(C)nn8c1C.c15cccc7c1.C37=O.CC4.O45.N36.C8C |
40958 | CCOc1ccccc1NC(=O)c1cnn(CC)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1] | c14ccccc15.c16cnn7c1.C26=O.CC3.O34.N25.C7C |
40959 | CCOc1ccccc1NC(=O)c1ccn(CC)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1] | c14ccccc15.c16ccn7n1.C26=O.CC3.O34.N25.C7C |
40960 | COc1ccc(NC(=O)c2cc(C)nn2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c14ccc6c5c1.c17cc(C)nn1C.C37=O.CO4.N36.O5C |
40961 | CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][=N][Ring1][P] | c14ccc(Cl)cc1C.n16cc5c(C)n1.C35=O.CC6.N34 |
40962 | CCOC(=O)c1cc(C)sc1NC(=O)c1cnccn1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c17cc(C)sc15.c16cnccn1.C27=O.C36=O.CC4.O24.N35 |
40964 | CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cn(C)nc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c16ccc(S5(=O)=O)cc1.c17cn(C)nc1C.CC3=O.N45C.N36.C47 |
40965 | Cc1ccsc1C(=O)Nc1ccccc1C(N)=O | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13ccccc15.Cc1ccsc14.C24=O.C5(N)=O.N23 |
40967 | Cc1c(CN(C)C(=O)c2cc3ccccc3oc2=O)cnn1C | [C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=N][N][Ring2][Ring1][Branch1][C] | c16cc2ccccc2oc1=O.Cc1c7cnn1C.N45C.C46=O.C57 |
40968 | Cc1occc1C(=O)Nc1nnc(-c2cccs2)s1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | Cc1occc15.c14nnc6s1.c16cccs1.C35=O.N34 |
40969 | COc1cccc(-c2oc3ccccc3c(=O)c2OC(C)=O)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch1][O][C] | c18oc2ccccc2c(=O)c16.c15cccc8c17.C4(C)=O.CO5.O46.O7C |
40970 | O=c1c2ccccc2ncn1COCc1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2ccccc2ncn14.c15ccccc1.C4O3.C35 |
40971 | OC1c2ccccc2Sc2ccc(Cl)cc2C1O | [O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S][O] | OC1c2ccccc2Sc2ccc(Cl)cc2C1O |
40973 | COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc17.c16ccc(Cl)cc1.C3(=O)C4.CO5.N38.O46.O7C |
40974 | O=C(NCc1ccncc1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c15ccncc1.O=C24.N23.C35 |
40975 | O=C(Nc1ccc(Br)cc1F)C1CCCO1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][C][C][C][O][Ring1][Branch1] | c13ccc(Br)cc1F.C14CCCO1.O=C24.N23 |
40976 | CCn1ncc(C(=O)NCc2ccc(Cl)cc2Cl)c1C | [C][C][N][N][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][P][C] | c17ccc(Cl)cc1Cl.n16ncc5c1C.C35=O.CC6.N34.C47 |
40977 | CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=N][Ring1][P] | c15ccc4c(Cl)c1.n17cc6cn1.C36=O.CC7.N35.O4C |
40978 | CCn1cc(C(=O)Nc2cc(C)cc(C)c2)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=N][Ring1][P] | c14cc(C)cc(C)c1.n16cc5c(C)n1.C35=O.CC6.N34 |
40979 | Cc1c(CNC(=O)C2CC2c2ccc(C(C)(C)C)cc2)cnn1C | [C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=N][N][Ring2][Ring1][=Branch1][C] | Cc1c6cnn1C.c18ccc7cc1.C15CC18.C7(C)(C)C.C35=O.C46.N34 |
40980 | Cc1c(CNC(=O)c2c(Cl)cccc2Cl)cnn1C | [C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][N][Ring1][P][C] | c15c(Cl)cccc1Cl.Cc1c6cnn1C.C35=O.C46.N34 |
40981 | CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][=N][Ring1][P] | c14cc(Cl)cc(Cl)c1.n16cc5c(C)n1.C35=O.CC6.N34 |
40982 | CCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c13ccc(Cl)c(Cl)c1.n15nccc14.C24=O.CC5.N23 |
40983 | Cc1c(CNC(=O)c2cccc(Cl)c2)cnn1C | [C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][Ring1][S][C] | Cc1c6cnn1C.c15cccc(Cl)c1.C35=O.C46.N34 |
40984 | Cc1ccc(OCC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17cnn8c1.c19ccccc1.C5C4=O.O56.N47.C89 |
40985 | COC(=O)c1ccc(NC(=O)C2CC3CCC2C3)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring1][S] | c18ccc6cc1.C17CC2CCC1C2.C48=O.C57=O.CO4.N56 |
40986 | CCOc1nonc1NC(=O)CSc1nc2ccccc2s1 | [C][C][O][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c18nc2ccccc2s1.c15nonc17.C3(=O)C6.CC4.O45.N37.S68 |
40987 | Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NC(C)C)nn12 | [C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][Ring2][Ring1][=Branch1][Ring1][O] | Cc1cc6nc2cc5nn12.c16ccc(F)cc1.C35=O.C4(C)C.N34 |
40988 | CN(C)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15nc2ccccc2s1.c16ccc7cc1.CN6C.C47=O.N45 |
40989 | NC(=O)c1ccccc1NC(=O)C1CC1c1ccccc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc13.c16ccccc1.C14CC16.NC5=O.C24=O.N23 |
40991 | CSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1 | [C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][=C][Ring1][P] | c16ccc(Cl)c5c1.c14ccc(C)cn1.C35=O.CS6.N34 |
40992 | COC(=O)c1cc(NC(=O)c2cc(C)oc2C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] | c17cc6cc9c1.c18cc(C)oc1C.C37=O.C58=O.C49=O.CO3.N56.O4C |
40993 | Cc1ccsc1C(=O)NCc1ccc(Cl)cc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.Cc1ccsc14.C24=O.N23.C35 |
40995 | Cc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c17ccc(F)cc1.C34=O.N36.N45.C57 |
40997 | CCn1ncc(C(=O)Nc2cc(F)ccc2F)c1C | [C][C][N][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][S][C] | c14cc(F)ccc1F.n16ncc5c1C.C35=O.CC6.N34 |
40998 | Cc1ccc(NC(=O)c2cnn(C)c2C)c(Br)c1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][Br][=C][Ring1][P] | Cc1ccc4c(Br)c1.c15cnn(C)c1C.C35=O.N34 |
40999 | Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][S][Cl] | Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Cl |
41000 | Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1C | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][N][Ring1][#C][C] | Cc1c5cnn1C.c14ccc(Br)cc1.C35=O.N34 |
41001 | CCn1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | c14ccccc16.n18cc5cn1.c17ccccc1.C35=O.C67=O.CC8.N34 |
41002 | COc1cc(NC(=O)c2ccn(C)n2)cc(OC)c1 | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14cc5cc6c1.c17ccn(C)n1.C37=O.CO4.N36.O5C |
41003 | COc1ccc(NC(=O)c2ccoc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][#C][O][C] | c14ccc6cc15.c17ccoc1C.C37=O.CO4.N36.O5C |
41004 | Cc1nn(C)cc1CNC(=O)c1ccccc1Br | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1nn(C)cc15.c14ccccc1Br.C24=O.C35.N23 |
41006 | Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccs1 | [C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | Cc1nn6c(C)c14.c17ccccc1.c15cccs1.C35=O.C67.N34 |
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