ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
8879 | CC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][S][Ring1][S] | c16cccc7c1.c14ncc5s1.C7(F)(F)F.CC3=O.N34.C56 |
8881 | NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(N)(=O)=O)ccc1-2 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring1][=C] | NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(N)(=O)=O)ccc1-2 |
8882 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc2c(c1)OCO2 | [C][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][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | C3(=O)C1=C(C)N(C)C(=O)NC15.c15ccc2c(c1)OCO2.CC4.O34 |
8883 | CC1(C)OCC(C(O)C(O)C2COC(C)(C)O2)O1 | [C][C][Branch1][C][C][O][C][C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][O][Ring1][P] | CC1(C)OCC3O1.C14COC(C)(C)O1.C3(O)C4O |
8884 | OCC1OC(Sc2ccccc2)C(O)C(O)C1O | [O][C][C][O][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#C][O] | C13OC4C(O)C(O)C1O.c15ccccc1.OC3.S45 |
8885 | O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1 | [O][=C][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1nc2sc3ccccc3n2c(=O)n14.c14ccccc1 |
8887 | COC(=O)CCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c15c(C)n(C)n6c1=O.C3(=O)CCC4=O.c16ccccc1.CO3.N45 |
8889 | Cc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3 | [C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][S][C][C][C][C][Ring1][O] | Cc1cc5c2c3c(c(=O)oc2c1)CCCC3.C4C(N)=O.O45 |
8891 | Cc1c(OCC(N)=O)ccc2c(-c3ccccc3)cc(=O)oc12 | [C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch1][=Ring1][=N] | Cc1c5ccc2c6cc(=O)oc12.c16ccccc1.C4C(N)=O.O45 |
8892 | N#CC(C(=O)c1ccco1)c1nc2ccccc2[nH]1 | [N][#C][C][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c14nc2ccccc2[nH]1.N#CC4C3=O.c13ccco1 |
8893 | COC(=O)c1ccc(NC(=O)NCC(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C] | c17ccc6cc1.C5C(C)C.C27=O.C34=O.CO2.N36.N45 |
8894 | CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][N] | CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1 |
8895 | CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | CC(C)(C)S(=O)(=O)c1ccc(Br)cc1 |
8896 | COc1ccc(OC)c(S(=O)(=O)c2cc(OC)ccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Branch1] | c13ccc4c(S(=O)(=O)c2cc5ccc26)c1.CO3.O4C.O5C.O6C |
8897 | NC(=O)Cc1ccc2sc(-c3ccccc3)nc2c1 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c14ccc2sc5nc2c1.c15ccccc1.NC(=O)C4 |
8898 | O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccc(Cl)cc1.O=C24.C3C5.N23 |
8901 | O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | O=S3(=O)c1cccs1.c14ccc2cc1.O2C(F)F.N34 |
8903 | COC(=O)C(CO)NS(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C2(=O)C3CO.CO2.N34 |
8905 | CCC1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 | [C][C][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] | S3(=O)(=O)c1ccc(C)cc1.C14CCCN3C1.CC4 |
8906 | CC(=O)Nc1ccc(NC(=O)c2ccncc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17ccncc1.CC3=O.C47=O.N35.N46 |
8908 | O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)c3cccc1c23 | [O][=C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | O=C1Nc2ccc(S4(=O)=O)c3cccc1c23.N14CCCCC1 |
8909 | CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2] | S6(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.N456.CC4.C5C |
8910 | O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3O)c3cccc1c23 | [O][=C][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=C1Nc2ccc(S4(=O)=O)c3cccc1c23.c15ccccc1O.N45 |
8911 | CCN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][N] | CCN1C(=O)c2cccc3c(S4(=O)=O)ccc1c23.N4(C)C |
8912 | CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 | [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] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1 |
8913 | CCN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc21 | [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] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccc(C)cc1 |
8914 | CCc1ccc(C(=O)CC2(O)C(=O)N(CC)c3ccccc32)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | C4(=O)CC1(O)C(=O)N(CC)c2ccccc21.c15ccc4cc1.CC5 |
8916 | CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CCN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc3cc1.O3C |
8917 | CCOC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][C][O][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] | c16sc2c(c17)CCC(C)C2.C34=O.C7(N)=O.CC5.O35.N46 |
8920 | O=c1ccc(-c2ccc(Br)cc2)no1 | [O][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][=N] | O=c1ccc3no1.c13ccc(Br)cc1 |
8921 | O=C(c1cccc2c1-c1ccccc1C2)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c14cccc2c1-c1ccccc1C2.N13CCOCC1.O=C34 |
8922 | O=C1c2ccccc2-c2cccc(C(=O)N3CCCCC3)c21 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][Ring2][Ring1][Branch1] | O=C1c2ccccc2-c2cccc5c21.N14CCCCC1.C45=O |
8924 | Cc1ccc(S(=O)(=O)NC(C(=O)N2CCOCC2)C(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S5(=O)=O)cc1.C4(C3=O)C(C)C.N13CCOCC1.N45 |
8925 | O=c1ccn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)[nH]1 | [O][=C][C][=C][N][Branch2][Ring1][#Branch2][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] | O=c1ccn4c(=O)[nH]1.c14nc5oc16.c15ccccc1.c16ccccc1 |
8926 | COc1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16nc(C#N)c5o1.c14ccc6cc1.N15CCCCC1.CO4 |
8927 | COc1ccc(OC(=O)NCCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c18ccccc1.C34=O.C7C8.CO5.O36.N47 |
8929 | COc1ccccc1C1CCN(C(=O)c2ccco2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | c14ccccc16.C16CCN3CC1.c15ccco1.C35=O.CO4 |
8930 | Nc1nonc1C(=O)OCC(=O)c1ccc(Cl)cc1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.Nc1nonc14.C3C5=O.C24=O.O23 |
8931 | N#Cc1c2c(c(N3CCCC3)n3c1nc1ccccc13)CCC2 | [N][#C][C][=C][C][=Branch2][Ring1][#Branch2][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][Ring1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2] | N#Cc1c2c(c4n3c1nc1ccccc13)CCC2.N14CCCC1 |
8932 | CCn1c(-c2ccccc2)ccc1C(O)C(F)(F)F | [C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][O][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] | n13c4ccc15.c15ccccc1.C4(O)C(F)(F)F.CC3 |
8933 | CCOc1ccc(-c2cc(C)n3nc(C(N)=O)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17cc(C)n2nc6cc2n1.c15ccc7cc1.C6(N)=O.CC4.O45 |
8934 | CN(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c14nc2c([nH]1)c(=O)n(C)c(=O)n2C.c15ccccc1.CN34.C35 |
8935 | CC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1 | [C][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][=C][Branch1][C][C][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c3nc(C)nc15.c15ccccc1.C2(=O)C(C)C.CC4=O.N23 |
8936 | CCC1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | C18CCc2c(sc5c27)C1.c16ccoc1C.C46=O.C7(N)=O.CC8.N45 |
8937 | CCN(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c15nc2c([nH]1)c(=O)n(C)c(=O)n2C.c16ccccc1.N345.CC3.C46 |
8938 | Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][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][Ring2][C] | Cc1ccc5cc1C.c16ccc7cc1.n17cnnn1.C46=O.N45 |
8939 | CC(=O)N(Cc1ccccc1)c1nc2c([nH]1)c(=O)n(C)c(=O)n2C | [C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c15nc2c([nH]1)c(=O)n(C)c(=O)n2C.c16ccccc1.CC3=O.N345.C46 |
8940 | O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C] | c15ccc(Cl)cc1.c18ccccn1.c17ccc9o1.O=C37.N36.C68.C49.O45 |
8943 | Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][P][Cl] | Cc1nn(C(=O)C3)c(C)c1Cl.c14ccc(F)cc1.O34 |
8945 | Cn1c(=O)c2c(nc3n2CCCN3C(C)(C)CO)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc3n2CCCN34)n(C)c1=O.C4(C)(C)CO |
8946 | Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)n1 | [N][C][=N][C][Branch1][C][N][=C][Branch1][C][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][S] | Nc1nc3c(N)c(N)n1.c14ccc(Br)cc1.N34 |
8947 | COC(=O)c1cc(Br)c(O)c(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2] | c13cc(Br)c(O)c(Br)c1.C23=O.CO2 |
8948 | CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][C][=Ring1][=Branch2][C][O][Ring2][Ring1][Ring1] | c18cc%10oc1C.c17ccc9o1.C%10(C)(C)C.C37=O.C48=O.CC5.O35.C69.N46 |
8949 | COc1cc(OC)cc(C(=O)Nc2nccs2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][S] | c14cc5cc7c1.c16nccs1.C37=O.CO4.O5C.N36 |
8950 | CCOC(=O)c1cc(CO)cc(C(=O)OCC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N] | c16cc7cc8c1.C26=O.C37=O.CC4.O24.C8O.O35.C5C |
8951 | Cc1nonc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 | [C][C][=N][O][N][=C][Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c15ccc(F)cc1.Cc1nonc14.N234.C25 |
8952 | O=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ccc(Cl)cc1.N13CCN4CC1.c14ncccn1.O=C35 |
8953 | O=C(c1cccs1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.c14ncccn1.c15cccs1.O=C35 |
8954 | O=C(c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15c(Cl)cccc1Cl.N13CCN4CC1.c14ncccn1.O=C35 |
8955 | O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.C15CCCCC1.c14ncccn1.O=C35 |
8956 | N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc(S4(=O)=O)cc1.N14CCN5CC1.c15ncccn1 |
8961 | COc1ccc(NC(=O)Cc2ccc(F)cc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | c16ccc(F)cc1F.c14ccc5cc1.C3(=O)C6.CO4.N35 |
8962 | Cc1cccc2nc(NC(=O)c3ccn(C)n3)sc12 | [C][C][=C][C][=C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][S][C][Ring2][Ring1][C][=Ring1][=C] | Cc1cccc2nc5sc12.c16ccn(C)n1.C46=O.N45 |
8963 | COc1ccc(NC(=O)C2CC=CCC2C(=O)OC(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.C18CC=CCC19.C48=O.C39=O.C5(C)C.CO6.N47.O35 |
8964 | O=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1] | C16CC=CCC17.c15ccccc1.C18CCCO1.O=C36.C27=O.N35.O24.C48 |
8965 | O=C(CCC(=O)OCC1CCCO1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.O=C3CCC2=O.C16CCCO1.O24.C46.N35 |
8967 | Cc1cc2cc3c(=O)n(C)c(=O)n(C)c3nc2cc1C | [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][=C][Ring2][Ring1][C][C] | Cc1cc2cc3c(=O)n(C)c(=O)n(C)c3nc2cc1C |
8968 | Cc1nc2c(=O)n(C)c3c(c(=O)n(C)c(=O)n3C)c2o1 | [C][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2c(=O)n(C)c3c(c(=O)n(C)c(=O)n3C)c2o1 |
8970 | Cc1cccc2nc(NC(=O)c3ccnn3C)sc12 | [C][C][=C][C][=C][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][S][C][Ring2][Ring1][C][=Ring1][=C] | Cc1cccc2nc5sc12.c16ccnn1C.C46=O.N45 |
8971 | Cc1nc2ccccc2c(=O)n1-c1c(F)cc(F)cc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | Cc1nc2ccccc2c(=O)n13.c13c(F)cc(F)cc1F |
8972 | Cn1nccc1Nc1ccc(OC(=O)c2ccnn2C)cc1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][#C] | c16ccc4cc1.Cn1nccc15.c17ccnn1C.C37=O.N56.O34 |
8973 | O=C(Cc1ccc(F)cc1F)NC1CCCCC1 | [O][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][C][C][C][C][Ring1][=Branch1] | c14ccc(F)cc1F.C13CCCCC1.O=C2C4.N23 |
8974 | COc1ccc(NC(=O)CCC(=O)OC2CCC(C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.C4(=O)CCC3=O.C15CCC(C)CC1.CO6.N47.O35 |
8975 | CCOc1ccccc1NC(=O)COc1ccc(F)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccccc17.c16ccc(F)cc1.C2(=O)C4.CC3.O35.N27.O46 |
8977 | O=C(CCCC(=O)n1nnc2ccccc21)Oc1ccccc1F | [O][=C][Branch2][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=C3CCCC(=O)n1nnc2ccccc21.c14ccccc1F.O34 |
8979 | O=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1 | [O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16cnccc1=O.c15ccccc1.c14ccccc1.C36C5=O.O=C24.N23 |
8982 | CCOC(=O)c1nnc2cc(-c3cccs3)sc2n1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][#Branch2][=N][Ring1][=C] | c16nnc2cc7sc2n1.c17cccs1.C46=O.CC5.O45 |
8983 | COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c15ccc7cc1.c16ccccc18.N14CCOCC1.C37=O.C48=O.CO5.N36 |
8984 | O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(Cl)cc1.N13CCOCC1.O=C25.C36=O.N24 |
8985 | CC(=O)Oc1c(C)c(C(C)=O)c(O)c2ccccc12 | [C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1] | c14c(C)c5c(O)c2ccccc12.CC3=O.C5(C)=O.O34 |
8986 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(Cl)cc1.N13CCCCC1.O=C25.C36=O.N24 |
8987 | O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccccc16.c15cccc(F)c1.N13CCOCC1.O=C25.C36=O.N24 |
8988 | CC(C)(O)c1cc(=O)sc2nc3ccccc3n12 | [C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][Ring1][=Branch2] | c14cc(=O)sc2nc3ccccc3n12.CC4(C)O |
8990 | CC(C)(C)NC(=O)CSc1nnn(-c2ccccc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c17nnn6n1.c16ccccc1.CC4(C)C.C3(=O)C5.N34.S57 |
8991 | Cn1c2c(c3ccccc31)C(=O)C(Cn1ccnc1)CC2 | [C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1] | Cn1c2c(c3ccccc31)C(=O)C5CC2.n14ccnc1.C45 |
8992 | Cc1c(C(=O)NCc2ccco2)oc2ccccc12 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1c5oc2ccccc12.c16ccco1.C35=O.N34.C46 |
8993 | COc1ccc(-c2csc(-c3cccnc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15csc6n1.c16cccnc1.CO4 |
8994 | CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c19sc8nc1C.c17ccc(F)cc1.C4(=O)C6.C39=O.CC5.O35.N48.O67 |
8995 | CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c19sc8nc1C.c17cccc(C)c1.C4(=O)C6.C39=O.CC5.O35.N48.O67 |
8996 | COC(=O)C1CCC(NC(C)=O)C(C(=O)OC)C1 | [C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=C] | C16CCC5C7C1.C26=O.C4(C)=O.C37=O.CO2.N45.O3C |
8997 | CC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2] | c16c(C)cc(C)cc1C.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
8998 | CN(C)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | S4(=O)(=O)c1ccc5cc1.c15cn2cc(Cl)ccc2n1.CN4C |
8999 | COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(C)cc1.c14ccc6cc1.N356.C3(C)=O.CO4 |
9000 | COc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][=Branch1][C][Branch1][C][C][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1ccc(Cl)cc1.c14ccc6cc1.N356.C3(C)=O.CO4 |
9001 | COc1ccccc1OC(C)C(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccccc1.C3(C)C2=O.CO4.O35.N26 |
9002 | CN(CC(=O)Nc1ccccc1)C(=O)c1ccccc1 | [C][N][Branch1][#C][C][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] | c15ccccc1.c16ccccc1.C4C2=O.CN34.C36=O.N25 |
9004 | COC(=O)CCC(=O)Nc1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C2(=O)CCC3=O.c14ccc(Br)cc1.CO2.N34 |
9005 | CC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1Br.CC3=O.C47=O.N35.N46 |
9006 | CCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc8cc1.c19ccccc1.C3(=O)C7.C49=O.CC5.O56.N38.N47 |
9007 | Cc1cccc(C(C)C)c1NC(=O)COc1ccccc1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc6c15.c14ccccc1.C2(=O)C3.C6(C)C.N25.O34 |
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