ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
3873 | O=C(Nc1ccc(C2=NCCO2)cc1)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][O][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14ccc(C2=NCCO2)cc1.c15ccc6cc1.C6(F)(F)F.O=C35.N34 |
3874 | O=S(=O)(Nc1ccccc1Cl)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S2(=O)c1ccccc1F.c13ccccc1Cl.N23 |
3875 | O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)c3c1.N12CCOCC1.C3(F)(F)F |
3876 | O=S(=O)(NCc1ccco1)c1cccc(C(F)(F)F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=S3(=O)c1cccc5c1.c14ccco1.C5(F)(F)F.N23.C24 |
3877 | CC(C)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | S3(=O)(=O)c1cccc4c1.CC(C)C2.C4(F)(F)F.N23 |
3878 | O=S(=O)(NCc1cccs1)c1cccc(C(F)(F)F)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | O=S3(=O)c1cccc5c1.c14cccs1.C5(F)(F)F.N23.C24 |
3879 | O=S(=O)(c1ccccc1C(F)(F)F)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccccc13.N12CCOCC1.C3(F)(F)F |
3880 | O=S(=O)(c1ccccc1C(F)(F)F)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1ccccc13.N12CCCCC1.C3(F)(F)F |
3881 | CC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1] | S3(=O)(=O)c1ccccc14.CC1CCN3CC1.C4(F)(F)F |
3882 | O=S(=O)(NCc1ccccc1)c1ccccc1C(F)(F)F | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | O=S3(=O)c1ccccc15.c14ccccc1.C5(F)(F)F.N23.C24 |
3883 | CC1CN(S(=O)(=O)c2c(Cl)cccc2Cl)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Branch1][C][C][O][Ring2][Ring1][C] | S3(=O)(=O)c1c(Cl)cccc1Cl.CC1CN3CC(C)O1 |
3885 | CC(C)CNS(=O)(=O)c1c(Cl)cccc1Cl | [C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | S3(=O)(=O)c1c(Cl)cccc1Cl.CC(C)C2.N23 |
3886 | CN(C)S(=O)(=O)c1c(Cl)cccc1Cl | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | S2(=O)(=O)c1c(Cl)cccc1Cl.CN2C |
3887 | Cc1nc(-c2cccnc2)nc(NCc2ccccc2)c1Cl | [C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Cl] | Cc1nc6nc4c1Cl.c16cccnc1.c15ccccc1.N34.C35 |
3888 | CCOc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][C] | S5(=O)(=O)c1ccccc1C#N.c14ccc6cc1.CC3.O34.N56 |
3889 | Cc1ccccc1NS(=O)(=O)c1ccccc1C#N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | S2(=O)(=O)c1ccccc1C#N.Cc1ccccc13.N23 |
3890 | Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccccc1C#N.Cc1cccc4c1.N34 |
3892 | N#Cc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N#Cc1ccccc1S2(=O)=O.c13ccc(Cl)cc1.N23 |
3893 | N#Cc1ccccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | N#Cc1ccccc1S2(=O)=O.c13cccc4c1.C4(F)(F)F.N23 |
3894 | N#Cc1ccccc1S(=O)(=O)N1CCOCC1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1ccccc1S2(=O)=O.N12CCOCC1 |
3895 | O=C1CCCN1CC(O)CS(=O)(=O)c1ccc(Cl)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2C(O)CS(=O)(=O)c1ccc(Cl)cc1.O=C1CCCN12 |
3897 | O=C1CCCN1CC(O)CS(=O)(=O)c1ccccc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2C(O)CS(=O)(=O)c1ccccc1.O=C1CCCN12 |
3899 | Cc1cc(C)c(C#N)c(OC(=O)c2cccs2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][P] | Cc1cc(C)c(C#N)c4n1.c15cccs1.C35=O.O34 |
3900 | COc1ccc(C(=O)NC(C)Cc2c[nH]c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c18c[nH]c2ccccc12.c15ccc7cc1.C6(C)C8.C47=O.CO5.N46 |
3901 | O=C1NCCCC1C(=O)NCCc1c[nH]c2ccccc12 | [O][=C][N][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.O=C1NCCCC15.C35=O.C4C6.N34 |
3903 | NS(=O)(=O)c1nn2cc(-c3ccccc3)nc2s1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C] | NS(=O)(=O)c1nn2cc4nc2s1.c14ccccc1 |
3904 | CC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(F)cc1.C4(C)C.O34 |
3907 | COC(=O)c1sc(NC(=O)c2ccccc2C)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][#C][C] | c16sc5nc1C.c17ccccc1C.C36=O.C47=O.CO3.N45 |
3908 | COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C | [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][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c18sc7nc1C.c16ccc(C)cc1.C4(=O)C5.C38=O.CO3.N47.O56 |
3909 | COC(=O)c1sc(NC(=O)c2cccs2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][=N][C] | c16sc5nc1C.c17cccs1.C36=O.C47=O.CO3.N45 |
3911 | COC(=O)c1sc(NC(=O)c2ccco2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][=N][C] | c16sc5nc1C.c17ccco1.C36=O.C47=O.CO3.N45 |
3912 | CCOC(=O)C1=C(C)NC(=O)NC1c1coc2ccccc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | C3(=O)C1=C(C)NC(=O)NC15.c15coc2ccccc2c1=O.CC4.O34 |
3913 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc(Cl)cc1.CC3.O23 |
3914 | N#Cc1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N | [N][#C][C][N][=N][N][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][=Ring2][Ring1][Ring1][N] | N#Cc1nnn5c1N.c15cc3cc4c1.C3(F)(F)F.C4(F)(F)F |
3915 | CCOC(=O)c1c(NC(C)=O)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][C][Ring1][=Branch1] | c17c6sc2c1CCCC2.C37=O.C4(C)=O.CC5.O35.N46 |
3917 | CCOC(=O)c1c(C)oc2c1cc(OC(C)=O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][Ring1][=Branch1][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | c17c(C)oc2c1cc6c1ccccc12.C37=O.C4(C)=O.CC5.O35.O46 |
3918 | COc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c13ccc4c(S5(=O)=O)c1.N15CCOCC1.CO3.O4C |
3919 | CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13cc5ccc14.N14CCOCC1.CCCC2=O.C5(F)(F)F.N23 |
3920 | CC1=CC(C)(C)Nc2ccc(OC(=O)C3CCCO3)cc21 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring2] | CC1=CC(C)(C)Nc2ccc5cc21.C16CCCO1.C46=O.O45 |
3922 | CCC(=O)Nc1c(CC)cc(S(N)(=O)=O)cc1CC | [C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][N][C][C] | c13c4cc(S(N)(=O)=O)cc15.CCC2=O.N23.C4C.C5C |
3923 | Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc3n1.c14ncc(O)n15.c15ccc(Cl)cc1.N34 |
3924 | Cc1onc(-c2c(F)cccc2Cl)c1C(N)=O | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][Branch1][C][N][=O] | c14c(F)cccc1Cl.Cc1onc4c13.C3(N)=O |
3925 | Cn1cnnc1SCC(=O)n1c2c(c3ccccc31)CCCC2 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][C][Ring1][N] | C4C(=O)n1c2c(c3ccccc31)CCCC2.Cn1cnnc15.S45 |
3927 | CNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c14cc5cc6c1.C5(F)(F)F.C6(F)(F)F.C23=O.CN2.N34 |
3929 | O=C(c1ccccc1)c1nn2c(nc(=O)c3ccccc32)s1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=Branch1][S][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][Ring1][=C] | c14nn2c(nc(=O)c3ccccc32)s1.c15ccccc1.O=C45 |
3930 | CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=NC(C)=O)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][#Branch1][=N][C][Branch1][C][C][=O][S][Ring1][S] | c15nn6c(=NC(C)=O)s1.c16ccc(Cl)cc1.C35=O.CC4.O34 |
3931 | CCOC(=O)c1nn(-c2ccc(C(C)=O)cc2)c(=NC(C)=O)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=Branch1][#Branch1][=N][C][Branch1][C][C][=O][S][Ring2][Ring1][C] | c15nn7c(=NC(C)=O)s1.c17ccc6cc1.C35=O.C6(C)=O.CC4.O34 |
3932 | CCOC(=O)c1nn(-c2ccc(C)cc2)c(=NC(C)=O)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][#Branch1][=N][C][Branch1][C][C][=O][S][Ring1][S] | c15nn6c(=NC(C)=O)s1.c16ccc(C)cc1.C35=O.CC4.O34 |
3933 | Cc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c16nc(N)cc(N)n1.C3(=O)C4.N35.S46 |
3934 | CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=NC(C)=O)s1 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][#Branch1][=N][C][Branch1][C][C][=O][S][Ring1][P] | c16nn7c(=NC(C)=O)s1.c17ccc5cc1.C36=O.CC4.O34.O5C |
3935 | CC1=CC(C)(C)N(C(=O)CSc2nncn2C)c2ccccc21 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CC1=CC(C)(C)N3c2ccccc21.c15nncn1C.C3(=O)C4.S45 |
3937 | Nc1cc(N)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1] | Nc1cc(N)nc7n1.c15cccc6c1.C4C3=O.C6(F)(F)F.S47.N35 |
3938 | CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)=O | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][C][Branch1][C][C][=O] | c15ccc2c(c1)C(C)=CC(C)(C)N24.CC3=O.C4(C)=O.O35 |
3939 | CC(=O)Oc1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][=C][Ring2][Ring1][C] | c15cccc7c1.c16nc8cs1.C8(C)(C)C.CC3=O.C47=O.O35.N46 |
3940 | O=C(NC1CCCC1)c1ccc(Br)cc1 | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C13CCCC1.O=C24.N23 |
3943 | CC(C)CNC(=O)c1ccc(Br)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CC(C)C3.C24=O.N23 |
3944 | N#Cc1nnn(-c2cc(Cl)cc(Cl)c2)c1N | [N][#C][C][N][=N][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][=N][N] | N#Cc1nnn3c1N.c13cc(Cl)cc(Cl)c1 |
3945 | COC(=O)CNC(=O)c1ccc(Cl)cc1Cl | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c15ccc(Cl)cc1Cl.C2(=O)C4.C35=O.CO2.N34 |
3946 | CN(C)C(=O)Oc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C][C][#N] | c15nc7cc6c1C#N.c17cccs1.C6(F)(F)F.CN4C.C34=O.O35 |
3947 | Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)nn2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=N][Ring1][=N][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n4n1.c14nnc5nn1.n15nc(C)cc1C |
3948 | COC(=O)CSc1c(Cl)cncc1Cl | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl] | c14c(Cl)cncc1Cl.C2(=O)C3.CO2.S34 |
3950 | CC(C)(C)NC(=O)Oc1noc2cc(Cl)ccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c15noc2cc(Cl)ccc12.CC6(C)C.C34=O.N46.O35 |
3952 | C1CCN(c2nc3nonc3nc2N2CCCC2)C1 | [C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1] | c14nc2nonc2nc15.C1CCN4C1.N15CCCC1 |
3953 | N#Cc1c(SCC(N)=O)nc2c(c1-c1cccnc1)CCC2 | [N][#C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][=C][C][=Branch1][N][=C][Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N] | N#Cc1c4nc2c(c15)CCC2.c15cccnc1.C3C(N)=O.S34 |
3954 | CC(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][C] | CC(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21 |
3955 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1cccc(O)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15cccc(O)c1.C34=O.CO2.O3C |
3956 | N#Cc1cc(-c2ccccc2)nc(N2CCOCC2)n1 | [N][#C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | N#Cc1cc4nc3n1.c14ccccc1.N13CCOCC1 |
3957 | CC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O] | c13c(C)n(O)c2ccc(Cl)cc2c1=O.CC3=O |
3958 | CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1NC(=O)N(C)C | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c16ccc8cc17.C8(C)(C)C.CN2C.C23=O.C45=O.N5(C)C.N36.N47 |
3961 | Nc1c(C(=O)Nc2ccccc2)nnn1Cc1ccccc1 | [N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c5nnn16.c14ccccc1.c17ccccc1.C35=O.N34.C67 |
3962 | CCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C][Ring1][O][O] | C16C(C)=NC2(O)c3ccccc3C(=O)C12O.C46=O.CC5.O45 |
3963 | CC(C)(C)c1ccc(NC(=O)c2ccco2)c(N)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][N][=C][Ring1][#C] | c16ccc4c(N)c1.c15ccco1.CC6(C)C.C35=O.N34 |
3964 | Cc1occc(=O)c1OCc1ccc(Cl)cc1 | [C][C][O][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1occc(=O)c13.c14ccc(Cl)cc1.O23.C24 |
3965 | CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][N][Ring1][=C][C][C] | c17sc2c(c1C)c(=O)c8cn29.C37=O.C48=O.CC5.O35.O46.C6C.C9C |
3966 | COc1cc(C(c2c(O)n[nH]c2C)C(C#N)C#N)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][Branch1][N][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c13cc6cc4c15.C67C(C#N)C#N.c17c(O)n[nH]c1C.CO3.O4C.O5C |
3967 | Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2nc6cc5c2c1.c16ccccc1.N14CCOCC1.C45=O |
3968 | Cc1cccc2c(C(=O)N3CCOCC3)cc(-c3ccccc3)nc12 | [C][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] | Cc1cccc2c5cc6nc12.N14CCOCC1.c16ccccc1.C45=O |
3970 | CCOC(=O)CSc1nc2ccccc2s1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.C3(=O)C5.CC4.O34.S56 |
3971 | Cc1cc(C)nc(SCC(=O)Nc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc6n1.c15ccccc1.C4C3=O.S46.N35 |
3972 | COC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][O][C] | c17c(Cl)cccc1Cl.c15onc7c16.C35=O.C46=O.CO3.O4C |
3973 | CNC(=O)Nc1ccc(C2CC2(Cl)Cl)cc1 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=C][Ring1][O] | c15ccc6cc1.C16CC1(Cl)Cl.C34=O.CN3.N45 |
3974 | Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2nonc2N)no1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O] | Cc1onc4c15.c14ccccc1Cl.c15nc3no1.c13nonc1N |
3979 | Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c7c1.C18CC(O)CN15.C6(C)(C)C.C48=O.C35=O.N47.O36 |
3981 | CC(C)(C)C(=O)OCc1noc(-c2ccccc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | CC(C)(C)C3=O.c15noc6n1.c16ccccc1.O34.C45 |
3982 | COC(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1] | c17ccc6nc1.c15ccc8cc1.C8(F)(F)F.C37=O.C46=O.CO3.N45 |
3983 | COC(=O)c1ccc(C(=O)Nc2ccc(C)cc2)nc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][S] | c17ccc6nc1.c15ccc(C)cc1.C37=O.C46=O.CO3.N45 |
3986 | Cc1cc(NCc2cccc(Cl)c2Cl)no1 | [C][C][=C][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=N][O][Ring1][#C] | c15cccc(Cl)c1Cl.Cc1cc4no1.N34.C35 |
3989 | O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1cccnc1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccc(Cl)cc1.c16ccccc1.c17cccnc1.O=C25.N234.C36.C47 |
3990 | CC(C)NC(=O)N(Cc1ccccc1)Cc1cccnc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc1.c18cccnc1.CC4C.C23=O.N356.N24.C57.C68 |
3991 | CCOC(=O)c1c(C)oc2cc(Br)c(OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][=C][Ring1][=N][Ring1][=Branch2] | c16c(C)oc2cc(Br)c5cc12.C36=O.CC4.O34.O5C |
3992 | CC(C)(C)C(=O)N(Cc1cccnc1)Cc1cccs1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | CC(C)(C)C2=O.c16cccnc1.c15cccs1.N234.C36.C45 |
3993 | Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c18nc2ccccc2[nH]1.Cc1ccc6c(C)c1.C5C4=O.C7C8.O56.N47 |
3994 | CC(=O)OCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c14cc5cc6c1.C3C4=O.C5(F)(F)F.C6(F)(F)F.CC2=O.O23 |
3995 | Cc1ccc(OCC(=O)Nc2nccs2)c(C)c1 | [C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc5c(C)c1.c16nccs1.C4C3=O.O45.N36 |
3996 | CC(C)NC(=O)N(Cc1cccnc1)Cc1cccs1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | c18cccnc1.c17cccs1.CC4C.C23=O.N356.N24.C58.C67 |
3997 | CC(C)(O)C(=O)OCC(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.CC(C)(O)C2=O.C3C4=O.O23 |
3998 | CCNC(=O)N(Cc1ccccc1)Cc1cccnc1 | [C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc1.c18cccnc1.C23=O.N356.CC4.N24.C57.C68 |
3999 | CCOC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][Ring1][=C] | c18ccc6cc1.c17nnc8o1.C3(=O)C5.N6(C)C.CC4.O34.S57 |
4000 | COC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][Ring1][=C] | c17ccc5cc1.c16nnc7o1.C3(=O)C4.N5(C)C.CO3.S46 |
4001 | CC(C)OC(=O)CSc1nnc(-c2ccc(N(C)C)cc2)o1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][Ring1][=C] | c18ccc6cc1.c17nnc8o1.C3(=O)C5.CC4C.N6(C)C.O34.S57 |
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