ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
26863 | CCN(CC)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N] | c18ccc(F)cc1.c17nnc8o1.C3(=O)C6.N345.CC4.C5C.S67 |
26864 | O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][C][Ring1][Branch1] | c17ccc(F)cc1.c16nnc7o1.C15CCCC1.O=C3C4.S46.N35 |
26865 | O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCCCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][C][C][Ring1][#Branch1] | c16ccc(F)cc1.N13CCCCCC1.c15nnc6o1.O=C3C4.S45 |
26866 | O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16ccc(F)cc1.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
26869 | CCOc1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c15ccccc16.c18ccccc1F.n17nnc8n1.C3(=O)C7.CC4.O45.N36 |
26870 | CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | c17ccc5cc1.c18ccccc1F.n16nnc8n1.C4(=O)C6.CC7.N45 |
26871 | CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2F)n1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | CC1Cc2ccccc2N13.c15ccccc1F.n14nnc5n1.C3(=O)C4 |
26873 | CC1(C)C2CCC1(CS(=O)(=O)NC1CCCCC1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C] | CC1(C)C2CCC15C(=O)C2.C14CCCCC1.C5S3(=O)=O.N34 |
26874 | CC1(C)C2CCC1(CS(=O)(=O)N1CCc3ccccc3C1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1] | CC1(C)C2CCC15C(=O)C2.N14CCc2ccccc2C1.C5S4(=O)=O |
26875 | CC1(C)C2CCC1(CS(=O)(=O)NCc1cccs1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C] | CC1(C)C2CCC16C(=O)C2.C6S4(=O)=O.c15cccs1.N34.C35 |
26876 | CC(C)(C)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C] | C125CCC(CC1=O)C2(C)C.S4(=O)(=O)C5.CC3(C)C.N34 |
26877 | CC1(C)C2CCC1(CS(=O)(=O)NC1CC1)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#C] | CC1(C)C2CCC15C(=O)C2.C5S3(=O)=O.C14CC1.N34 |
26878 | O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccc(S4(=O)=O)cc1.c17cnccn1.O=C37.C16CC1.N35.N46 |
26879 | CCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c17ccccc1.C35=O.CC6.N34.C47 |
26880 | CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | S3(=O)(=O)c1ccc(S4(=O)=O)cc1.N14CCCCC1.CN3C |
26881 | CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][C][Ring2][Ring1][Branch1] | S3(=O)(=O)c1ccc(S4(=O)=O)cc1.CC1CCN3CC1.N4(C)C |
26882 | CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] | S3(=O)(=O)c1ccc(S4(=O)=O)cc1.N14CCCCCC1.CN3C |
26888 | CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccco1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16nc2ccccc2c(=O)n15.c17ccco1.C5C3=O.CC6.N34.C47 |
26891 | CCc1nc2ccccc2c(=O)n1CC(=O)NC1CCCCC1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2c(=O)n15.C14CCCCC1.C5C3=O.CC6.N34 |
26893 | CCc1nc2ccccc2c(=O)n1CC(=O)N1CCCc2ccccc21 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c15nc2ccccc2c(=O)n14.N13CCCc2ccccc21.C4C3=O.CC5 |
26896 | NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][N] | c15ccc(F)cc1.c14ncc5[nH]1.NC(=O)C3.S34 |
26897 | O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1nccs1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][N][N][C][=N][C][=C][S][Ring1][Branch1] | c17ccc(F)cc1.c16ncc7[nH]1.c15nccs1.O=C3C4.S46.N35 |
26899 | CCN(CC)C(=O)CSc1ncnc2sc3c(c12)CCC3 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1] | c18ncnc2sc3c(c12)CCC3.C4(=O)C7.N456.CC5.C6C.S78 |
26900 | CC1CCCN(C(=O)CSc2ncnc3sc4c(c23)CCC4)C1 | [C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | c17ncnc2sc3c(c12)CCC3.CC1CCCN5C1.C5(=O)C6.S67 |
26901 | CC1CCCCN1C(=O)CSc1ncnc2sc3c(c12)CCC3 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1] | c16ncnc2sc3c(c12)CCC3.CC1CCCCN14.C4(=O)C5.S56 |
26902 | Cc1ccc(-c2nnn(CCC(=O)NC(C)(C)C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc6cc1.c16nnn5n1.C5CC3=O.C4(C)(C)C.N34 |
26904 | Cc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1][C] | n15c6nc2ccccc2c1=O.Cc1cccc5c1C.C4C(N)=O.S46 |
26906 | COc1cccc(-n2c(SCC(N)=O)nc3ccccc3c2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch1] | n16c7nc2ccccc2c1=O.c14cccc6c1.C5C(N)=O.CO4.S57 |
26911 | Cc1nc2ccccc2c(=O)n1CC(=O)NC1CCCCC1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cc1nc2ccccc2c(=O)n15.C14CCCCC1.C5C3=O.N34 |
26912 | Cc1nc2ccccc2c(=O)n1CC(=O)N1CCCc2ccccc21 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | Cc1nc2ccccc2c(=O)n14.N13CCCc2ccccc21.C4C3=O |
26913 | Cc1nc2ccccc2c(=O)n1CC(=O)N1CCCC1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1nc2ccccc2c(=O)n14.N13CCCC1.C4C3=O |
26914 | CC(C)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c17nnn5n1.N14CCCCC1.C5C4=O.CC6C |
26915 | CC1CCN(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)CC1 | [C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][Ring1][=C][C][C][Ring2][Ring1][#Branch1] | CC1CCN4CC1.c17ccc6cc1.n15nnc7n1.C4(=O)C5.C6(C)C |
26916 | CC(C)c1ccc(-c2nnn(CC(=O)N3CCCC3)n2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c17nnn5n1.N14CCCC1.C5C4=O.CC6C |
26917 | COc1cccc(-c2nnn(CC(=O)N3CCOCC3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=Ring1][=C][=C][Ring2][Ring1][Ring2] | c15cccc7c1.c17nnn6n1.N14CCOCC1.C6C4=O.CO5 |
26918 | CCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][=N] | c17cccc5c1.n16nnc7n1.C3(=O)C6.CC4.O34.O5C |
26920 | COc1cccc(-c2nnn(CC(=O)Nc3cc(C)cc(C)c3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][N][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring1][P][=C][Ring2][Ring1][#Branch1] | c16cc(C)cc(C)c1.c15cccc8c1.c18nnn7n1.C7C4=O.CO5.N46 |
26921 | COc1cccc(NC(=O)Cn2nnc(-c3cccc(OC)c3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][=N][=C][Ring2][Ring1][#Branch1] | c15cccc7c1.c19cccc6c1.n18nnc9n1.C4(=O)C8.CO5.N47.O6C |
26922 | COc1cccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][=N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=Ring1][#C][=C][Ring2][Ring1][Branch1] | c15cccc7c1.N14CCC(C)CC1.c17nnn6n1.C6C4=O.CO5 |
26923 | COc1cccc(-c2nnn(CC(=O)N3CCCC3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=Ring1][=N][=C][Ring2][Ring1][Ring1] | c15cccc7c1.c17nnn6n1.N14CCCC1.C6C4=O.CO5 |
26924 | COc1cccc(-c2nnn(CC(=O)NC3CCCCC3C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][N][=Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc8c1.C16CCCCC1C.c18nnn7n1.C7C4=O.CO5.N46 |
26925 | COc1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | c15ccc7cc1.c19cccc6c1.n18nnc9n1.C4(=O)C8.CO5.N47.O6C |
26926 | COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)c(C)c3)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][N][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring1][P][=C][Ring2][Ring1][#Branch1] | c16ccc(C)c(C)c1.c15cccc8c1.c18nnn7n1.C7C4=O.CO5.N46 |
26927 | COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][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] | c14ccc6cc1.c17nnc8n1C.c18ccco1.C6(=O)C5.CO4.S57 |
26928 | Cn1c(SCc2ccc(F)cc2)nnc1-c1ccco1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14ccc(F)cc1.c16ccco1.S35.C34 |
26930 | Cn1c(SCc2ccccc2F)nnc1-c1ccco1 | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14ccccc1F.c16ccco1.S35.C34 |
26931 | Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c6nnc17.c15nccs1.c17ccco1.C4C3=O.S46.N35 |
26932 | COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c14cccc6c1.c17nnc8n1C.c18ccco1.C6(=O)C5.CO4.S57 |
26933 | Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccco1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.N13CCCCCC1.c16ccco1.C4C3=O.S45 |
26935 | CCOC(=O)c1snc(-c2ccc(F)cc2)c1N | [C][C][O][C][=Branch1][C][=O][C][S][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N] | c15snc6c1N.c16ccc(F)cc1.C35=O.CC4.O34 |
26937 | CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)o1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2] | c16nnc7o1.c17cccs1.CC4(C)C.C3(=O)C5.N34.S56 |
26938 | CC1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | CC1CCN4CC1.c16nnc7o1.c17cccs1.C4(=O)C5.S56 |
26939 | O=C(CSc1nnc(-c2cccs2)o1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c15nnc6o1.c16cccs1.O=C3C4.S45 |
26941 | CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c17nc2ccccc2c(=O)n1C.C3(=O)C6.N345.CC4.C5C.S67 |
26942 | CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C] | c18nc2ccccc2c(=O)n17.C3(=O)C6.N345.CC4.C5C.S68.C7C |
26944 | COc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n15c6nc2ccccc2c1=O.c13ccccc15.C4C(N)=O.CO3.S46 |
26945 | Cc1ccc(NCc2nnc(SCC(=O)NC(C)(C)C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c18nnc9n1C.C6C3=O.C5(C)(C)C.N47.C48.S69.N35 |
26946 | Cc1ccc(NCc2nnc(SCC(=O)N3CCCC3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c18nnc9n1C.N14CCCC1.C6C4=O.N57.C58.S69 |
26947 | COC(=O)CSc1nnc(-c2cccnc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C] | c15nnc6n1C.c16cccnc1.C3(=O)C4.CO3.S45 |
26948 | Cn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c6nnc17.c17cccnc1.C15CCCC1.C4C3=O.S46.N35 |
26949 | Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][=N][O][Ring2][Ring1][=Branch1] | c17nnc8n1C.Cc1cc6no1.c18cccnc1.C4(=O)C5.N46.S57 |
26953 | Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccco1 | [C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.N13CCCC1.c16ccco1.C4C3=O.S45 |
26954 | Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1 | [C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1] | N14CCc2ccccc21.Cn1c6nnc17.c17ccco1.C5C4=O.S56 |
26955 | Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.N13CCCCC1.c16ccco1.C4C3=O.S45 |
26956 | CC1CCCCN1C(=O)CSc1nnc(-c2ccco2)n1C | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C] | CC1CCCCN13.c15nnc6n1C.c16ccco1.C3(=O)C4.S45 |
26957 | CCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccco1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | n15c6nnc17.N13CCCCC1C.c17ccco1.C4C3=O.CC5.S46 |
26958 | CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2C)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch2][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] | CC1CCN4CC1.c16nnc7n1C.c17ccco1.C4(=O)C5.S56 |
26959 | CC1CCCC(C)N1C(=O)CSc1nnc(-c2ccco2)n1C | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C] | CC1CCCC(C)N13.c15nnc6n1C.c16ccco1.C3(=O)C4.S45 |
26960 | Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccco1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c7nnc18.c16ccccc1.c18ccco1.C5C3=O.C4C6.S57.N34 |
26963 | CCn1c(SCC(N)=O)nnc1-c1ccccc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n13c4nnc15.c15ccccc1.C2C(N)=O.CC3.S24 |
26964 | Cc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nnc6n1C.C5C3=O.C4(C)(C)C.S56.N34 |
26966 | Cc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][Ring1][S][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c17nnc6n1C.N14CCC(C)CC1.C5C4=O.S56 |
26967 | Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnc6n1C.N14CCOCC1.C5C4=O.S56 |
26968 | Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][N][Ring1][S][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.c18nnc7n1C.c16cc(C)on1.C5C4=O.S57.N46 |
26969 | CCn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | n13c5nnc16.c16ccc4cc1.C2C(N)=O.C4(C)(C)C.CC3.S25 |
26970 | Cc1ccc2cc(C)c3nnc(SCC(N)=O)n3c2c1C | [C][C][=C][C][=C][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc2cc(C)c3nnc5n3c2c1C.C4C(N)=O.S45 |
26971 | CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C] | c17nc2c(c(=O)n(C)c(=O)n2C)n16.C3(=O)C5.CC4.O34.S57.C6C |
26972 | CCOC(=O)CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC | [C][C][O][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C] | c17nc2c(c(=O)n(C)c(=O)n2C)n16.C3(=O)CC5.CC4.O34.S57.C6C |
26973 | CCn1c(SCC(=O)NC)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15c6nc2c1c(=O)n(C)c(=O)n2C.C4C3=O.CC5.S46.N3C |
26975 | CCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C | [C][C][N][C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c6nc2c1c(=O)n(C)c(=O)n2C.c15cccnc1.CC4.S36.C35 |
26976 | Cc1cc2ccccc2nc1SCC(=O)N1CCCC1 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1cc2ccccc2nc15.N13CCCC1.C4C3=O.S45 |
26977 | Cc1nnc(NC(=O)CSc2nc3ccccc3cc2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][S][Ring2][Ring1][Branch1] | c17nc2ccccc2cc1C.Cc1nnc6s1.C4(=O)C5.N46.S57 |
26978 | Cc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][C] | Cc1cc2cc(C)c6nc2cc1C.N14CCOCC1.C5C4=O.S56 |
26980 | Cc1ccc2cc(C)c3nnc(SCC(N)=O)n3c2c1 | [C][C][=C][C][=C][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2cc(C)c3nnc5n3c2c1.C4C(N)=O.S45 |
26984 | CN(C)S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc5cc1.c16cnccn1.CN4C.C36=O.N35 |
26985 | CN(C)S(=O)(=O)c1ccc(-n2cnnn2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | S3(=O)(=O)c1ccc4cc1.n14cnnn1.CN3C |
26988 | c1cc(N2CCOCC2)nnc1N1CCOCC1 | [C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c1cc3nnc14.N13CCOCC1.N14CCOCC1 |
26989 | C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c17ccncc1.N13CCCC1.C4C3=O.C=CC5.S46 |
26990 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1.n15nnc6n1.c14ccccc1.O=C3C5.N34 |
26991 | Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | Cc1cccc(C)c14.c16ccc(F)cc1.n15nnc6n1.C3(=O)C5.N34 |
26992 | Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][#Branch1] | Cc1cc5cc(C)c1.c17ccc(F)cc1.n16nnc7n1.C4(=O)C6.N45 |
26993 | COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccc(F)cc2)n1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c14ccc(C)cc15.c17ccc(F)cc1.n16nnc7n1.C3(=O)C6.CO4.N35 |
26994 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c16ccc(F)cc1.c14cccc(F)c1.n15nnc6n1.O=C3C5.N34 |
26995 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][C][C][C][C][Ring1][=Branch1] | c16ccc(F)cc1.n15nnc6n1.C14CCCCC1.O=C3C5.N34 |
26996 | O=C(Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(F)cc1.n14nnc5n1.c13ccccc1.O=C3C4 |
26997 | CCC(C)NS(=O)(=O)c1ccc(-n2cnnn2)cc1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | S4(=O)(=O)c1ccc5cc1.n15cnnn1.CCC3C.N34 |
26998 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | S6(=O)(=O)c1ccc7cc1.c18cnccn1.N456.C38=O.CC4.C5C.N37 |
26999 | CSc1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 | [C][S][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][Ring2][Ring1][Ring2] | c16ccc(S4(=O)=O)cc1.c15nnc6o1.N14CCCCC1.CS5 |
27000 | CCC1CCCCN1S(=O)(=O)c1ccc(N)cc1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(N)cc1.C13CCCCN12.CC3 |
27002 | CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S] | c16ccc(S5(=O)=O)cc1.c17ccco1.CCC3=O.N36.N45.C47 |
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