ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928040 | O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2ncncc2C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1cc(Cl)ccc1Cl.N13CCc2ncncc2C1 |
1928041 | O=S(=O)(c1ccc(Cl)cc1)N1CCc2ncncc2C1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1ccc(Cl)cc1.N13CCc2ncncc2C1 |
1928042 | O=S(=O)(c1ccccc1C(F)(F)F)N1CCc2ncncc2C1 | [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][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1ccccc14.N13CCc2ncncc2C1.C4(F)(F)F |
1928043 | N#Cc1ccccc1S(=O)(=O)N1CCc2ncncc2C1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N#Cc1ccccc1S3(=O)=O.N13CCc2ncncc2C1 |
1928045 | O=C(Nc1cnn(C2CCOC2)c1)c1ccc(-n2cccc2)cc1 | [O][=C][Branch2][Ring1][C][N][C][C][=N][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O] | c15ccc7cc1.c14cnn6c1.C16CCOC1.n17cccc1.O=C35.N34 |
1928047 | Cc1nc(C)c(C(=O)Nc2cnn(C3CCOC3)c2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=Ring1][#Branch2][S][Ring2][Ring1][Ring1] | Cc1nc(C)c6s1.c15cnn7c1.C17CCOC1.C46=O.N45 |
1928048 | O=C(Nc1cnn(C2CCOC2)c1)NC1CCCC1 | [O][=C][Branch2][Ring1][C][N][C][C][=N][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=Ring1][#Branch2][N][C][C][C][C][C][Ring1][Branch1] | c15cnn7c1.C17CCOC1.C16CCCC1.O=C34.N35.N46 |
1928049 | O=S(=O)(Nc1cnn(C2CCOC2)c1)c1cccc2cccnc12 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=N][N][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][C][=Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | O=S3(=O)c1cccc2cccnc12.c14cnn5c1.C15CCOC1.N34 |
1928050 | O=C(CNC(=O)c1ccccc1)Nc1cnn(C2CCOCC2)c1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O] | c17ccccc1.c16cnn8c1.C18CCOCC1.O=C3C5.C47=O.N45.N36 |
1928051 | O=C(Nc1cnn(C2CCOCC2)c1)c1cc(-c2cccs2)n[nH]1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2] | c14cnn6c1.C16CCOCC1.c15cc7n[nH]1.c17cccs1.O=C35.N34 |
1928052 | O=C(Cn1c(=O)oc2ccccc21)Nc1cnn(C2CCOCC2)c1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O] | n15c(=O)oc2ccccc21.c14cnn6c1.C16CCOCC1.O=C3C5.N34 |
1928054 | Cc1noc(C)c1C(=O)Nc1cnn(C2CCOCC2)c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O] | Cc1noc(C)c15.c14cnn6c1.C16CCOCC1.C35=O.N34 |
1928055 | COC(C)(CNC(=O)CCc1c(C)noc1C)c1ccccc1F | [C][O][C][Branch1][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16c(C)noc1C.c15ccccc1F.C35(C)C4.C2(=O)CC6.CO3.N24 |
1928056 | COC(C)(CNC(=O)C1COc2ccccc2O1)c1ccccc1F | [C][O][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C16COc2ccccc2O1.c17ccccc1F.C47(C)C5.C36=O.CO4.N35 |
1928057 | COC(C)(CNC(=O)c1cc(C2CC2)on1)c1ccccc1F | [C][O][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.c16cc8on1.C47(C)C5.C36=O.C18CC1.CO4.N35 |
1928058 | CCC(CNC(=O)C1COc2ccccc2O1)(OC)c1ccccc1 | [C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16COc2ccccc2O1.CCC47C5.c17ccccc1.C36=O.N35.O4C |
1928059 | COC1(CNC(=O)c2cc(C)oc2C)C2CC3CC(C2)CC1C3 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][Ring1][#Branch1] | C158C2CC3CC(C2)CC1C3.c17cc(C)oc1C.C47=O.CO5.C68.N46 |
1928060 | Cn1nc(CCC(=O)Nc2cc3ccccc3oc2=O)ccc1=O | [C][N][N][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][C][Ring2][Ring1][=Branch1][=O] | c15cc2ccccc2oc1=O.Cn1nc6ccc1=O.C6CC4=O.N45 |
1928061 | O=C(CC1CCCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring1][P] | N14CCN5CC1.c15ccc7nn1.C16CCCC1.n17cncn1.O=C4C6 |
1928062 | O=C(C1CC=CCC1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring1][P] | N14CCN5CC1.c15ccc7nn1.C16CC=CCC1.n17cncn1.O=C46 |
1928063 | CC1Oc2ccccc2OC1C(=O)NCC(O)Cn1ccccc1=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] | CC1Oc2ccccc2OC15.n16ccccc1=O.C4C(O)C6.C35=O.N34 |
1928064 | O=C(CC1CCCCC1)Nc1nc2c(s1)C(=O)NCCC2 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][=Branch2] | c14nc2c(s1)C(=O)NCCC2.C15CCCCC1.O=C3C5.N34 |
1928065 | Cc1sccc1-c1csc(Nc2cccnc2)n1 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] | Cc1sccc15.c15csc3n1.c14cccnc1.N34 |
1928066 | Cc1noc(-c2nn(C)c3c2CN(C(=O)CC2CCCC2)CC3)n1 | [C][C][=N][O][C][Branch2][Ring1][#C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][#Branch1] | c16nn(C)c2c1CN4CC2.Cc1noc6n1.C15CCCC1.C4(=O)C5 |
1928068 | CCc1nnc(-c2ccc(=O)n(CC(=O)N3CCCCC3)c2)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][S][O][Ring2][Ring1][Branch1] | c17ccc(=O)n5c1.c16nnc7o1.N14CCCCC1.C5C4=O.CC6 |
1928069 | Cc1nn(C)c(C)c1CNC(=O)Cn1cc(-c2ccccc2)oc1=O | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] | Cc1nn(C)c(C)c16.n15cc7oc1=O.c17ccccc1.C3(=O)C5.C46.N34 |
1928070 | Cc1ccc(-c2cn(CC(=O)NC3CCCCC3)c(=O)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17cn6c(=O)o1.C15CCCCC1.C6C4=O.N45 |
1928071 | N#Cc1ccc(-c2nc(C(=O)NCC3CCCCC3)no2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | N#Cc1ccc8cc1.c18nc6no1.C17CCCCC1.C46=O.N45.C57 |
1928073 | O=C(NCC1CC1)c1noc(-c2ccccc2F)n1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c17ccccc1F.c15noc7n1.O=C35.C16CC1.N34.C46 |
1928074 | O=C(NCC1CCCO1)c1noc(-c2ccccc2F)n1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c17ccccc1F.c15noc7n1.C16CCCO1.O=C35.N34.C46 |
1928075 | Cc1n[nH]c(C)c1-c1cc(C(=O)NCCc2nccs2)n[nH]1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#C] | Cc1n[nH]c(C)c17.c17cc5n[nH]1.c16nccs1.C35=O.C4C6.N34 |
1928076 | CSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 | [C][S][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][S][Ring1][S] | c15ccc(Cl)cc1F.c16nnc4s1.C35=O.CS6.N34 |
1928078 | O=C(NCc1ccccc1-c1ccsc1)c1cc2cccn2cn1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][=N][Ring1][=Branch2] | c15cc2cccn2cn1.c16ccccc17.c17ccsc1.O=C35.N34.C46 |
1928079 | O=C(CNC(=O)c1cnc2cc[nH]c2c1)NCc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17cnc2cc[nH]c2c1.c18ccc(F)cc1.O=C3C5.C47=O.N45.N36.C68 |
1928080 | CN(Cc1ccccc1)C(=O)CNC(=O)c1cnc2cc[nH]c2c1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17cnc2cc[nH]c2c1.c18ccccc1.C3(=O)C6.CN35.C47=O.C58.N46 |
1928081 | Cc1ccc(NC(=O)c2c[nH]c3cccnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16c[nH]c2cccnc12.Cc1ccc5cc1.C46=O.N45 |
1928082 | O=C(Nc1ccc2c(c1)CCC2)c1cnc2n[nH]nc2c1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][C][=N][C][=N][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c14ccc2c(c1)CCC2.c15cnc2n[nH]nc2c1.O=C35.N34 |
1928083 | CCC(=O)NCCNC(=O)c1ccc(N2CCCOC2=O)cc1 | [C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][O][C][Ring1][=Branch1][=O][C][=C][Ring1][=N] | c17ccc8cc1.N18CCCOC1=O.CCC3=O.C5C6.C47=O.N35.N46 |
1928084 | CC(C)NC(=O)C(NC(=O)c1cc2cn[nH]c2cn1)c1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][C][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc2cn[nH]c2cn1.c18ccccc1.C3(=O)C68.CC5C.C47=O.N35.N46 |
1928085 | O=C(CNC(=O)c1cc2cccnn2n1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][N][Ring1][=Branch1][N][=Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc2cccnn2n1.c18ccccc1.O=C3C5.C47=O.N45.N36.C68 |
1928086 | O=C(NCc1ccncc1)c1c2ccccc2n2ccsc12 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][S][C][=Ring1][N][Ring1][Branch1] | c15c2ccccc2n2ccsc12.c16ccncc1.O=C35.N34.C46 |
1928087 | CC(C)C(NC(=O)c1cnn2ncccc12)C(=O)N1CCCC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][N][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c16cnn2ncccc12.CC(C)C5C4=O.N14CCCC1.C36=O.N35 |
1928088 | CC(C)C(NC(=O)c1cc2ncsc2[nH]1)C(=O)N1CCOCC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][N][=C][S][C][=Ring1][Branch1][NH1][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c16cc2ncsc2[nH]1.CC(C)C5C4=O.N14CCOCC1.C36=O.N35 |
1928089 | O=C(NCc1ccncc1)c1cc(-c2ccco2)no1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2] | c16ccncc1.c15cc7no1.c17ccco1.O=C35.N34.C46 |
1928090 | CC(C)C(=O)NCCNC(=O)c1ccc(-c2n[nH]c3ncccc23)[nH]1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=N][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][NH1][Ring1][=C] | c19n[nH]c2ncccc12.c18ccc9[nH]1.CC(C)C4=O.C6C7.C58=O.N46.N57 |
1928091 | CC(C)NC(=O)CCCNC(=O)c1cnc2snnc2c1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17cnc2snnc2c1.C3(=O)CCC6.CC5C.C47=O.N35.N46 |
1928092 | CC(C)NC(=O)C(NC(=O)c1cnc2snnc2c1)C(C)C | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][C][C][C] | c17cnc2snnc2c1.C3(=O)C6C(C)C.CC5C.C47=O.N35.N46 |
1928093 | O=C(c1cc2occc2n1-c1ccccc1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][O][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c14cc2occc2n15.c15ccccc1.N13CCCC1.O=C34 |
1928094 | Cn1cc(C(=O)NCCC(=O)Nc2ccccc2)c(=O)c2cccn21 | [C][N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][Ring2][Ring1][Branch2] | Cn1cc7c(=O)c2cccn21.c16ccccc1.C5CC4=O.C37=O.N35.N46 |
1928095 | O=C(Nc1cccc(F)c1)c1nc2ccccn2n1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15nc2ccccn2n1.c14cccc(F)c1.O=C35.N34 |
1928096 | Cc1ccc(NC(=O)c2nc3ccccn3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16nc2ccccn2n1.Cc1ccc5cc1.C46=O.N45 |
1928097 | CC(C)c1ccccc1NC(=O)c1nc2ccccn2n1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15nc2ccccn2n1.c16ccccc14.CC6C.C35=O.N34 |
1928098 | O=C(c1cc2c(cn1)[nH]c1ncccc12)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][NH1][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][Ring1][Branch1] | c14cc2c(cn1)[nH]c1ncccc12.N13CCCC1.O=C34 |
1928099 | O=C(NCc1ccco1)c1cc2oc(-c3ccccc3)cc2[nH]1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][NH1][Ring1][=C] | c16cc2oc8cc2[nH]1.c18ccccc1.c17ccco1.O=C46.N45.C57 |
1928100 | O=C(Nc1cccc(Cl)c1)c1cnn2c1SCC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=N][N][C][=Ring1][Branch1][S][C][C][Ring1][Branch1] | c15cnn2c1SCC2.c14cccc(Cl)c1.O=C35.N34 |
1928102 | O=C(Nc1cccc(Cl)c1)c1ccc2ncccc2n1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ncccc2n1.c14cccc(Cl)c1.O=C35.N34 |
1928103 | O=C(Nc1cccnc1)c1ccc2ncccc2n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ncccc2n1.c14cccnc1.O=C35.N34 |
1928104 | O=C(Nc1cccc(F)c1)c1ccc2ncccc2n1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ncccc2n1.c14cccc(F)c1.O=C35.N34 |
1928105 | O=C(Nc1ccccc1F)c1ccc2ncccc2n1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ncccc2n1.c14ccccc1F.O=C35.N34 |
1928107 | CC(C)c1ccccc1NC(=O)c1ccc2ncccc2n1 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15ccc2ncccc2n1.c16ccccc14.CC6C.C35=O.N34 |
1928109 | COc1ccc(NC(=O)c2ccc3ncccc3n2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring1] | c17ccc2ncccc2n1.c15ccc6cn1.C47=O.CO5.N46 |
1928110 | COc1ccc(NC(=O)c2ccc3ncccc3n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c18ccc2ncccc2n1.c15ccc7cc16.C48=O.CO5.N47.O6C |
1928111 | CN(C(=O)c1ccc2ncccc2n1)c1ccccc1 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2ncccc2n1.c14ccccc1.CN34.C35=O |
1928112 | CCN(C(=O)c1ccc2ncccc2n1)c1ccccc1 | [C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc2ncccc2n1.c15ccccc1.N345.C36=O.CC4 |
1928114 | CCN(C(=O)c1ccc2ncccc2n1)c1cccc(C)c1 | [C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c16ccc2ncccc2n1.c15cccc(C)c1.N345.C36=O.CC4 |
1928116 | COCCNC(=O)c1cc(-c2ccccc2)n2ccccc12 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1] | c16cc7n2ccccc12.c17ccccc1.C4C5.C36=O.CO4.N35 |
1928117 | O=C(NCc1cccnc1)c1cc(-c2ccccc2)n2ccccc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1] | c15cc7n2ccccc12.c16cccnc1.c17ccccc1.O=C35.N34.C46 |
1928118 | CCN(CC)C(=O)c1cc(-c2ccccc2)n2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1] | c16cc7n2ccccc12.c17ccccc1.N345.C36=O.CC4.C5C |
1928119 | CN(Cc1ccccc1)C(=O)c1cn2ccnc2cc1-c1ccccc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cn2ccnc2cc17.c16ccccc1.c17ccccc1.CN34.C35=O.C46 |
1928120 | O=C(c1cc2cc(-c3ccccc3)ccn2n1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][N][N][=Ring1][#C][N][C][C][C][C][Ring1][Branch1] | c15cc2cc6ccn2n1.c16ccccc1.N14CCCC1.O=C45 |
1928121 | O=C(Nc1cccc(OCc2cccnc2)c1)c1cccn2nccc12 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][N][N][=C][C][=C][Ring1][=Branch2][Ring1][Branch1] | c17cccn2nccc12.c16cccc5c1.c18cccnc1.O=C37.N36.O45.C48 |
1928123 | O=C(NCCOc1ccc(Cl)cc1)c1cccn2nccc12 | [O][=C][Branch1][S][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][N][=C][C][=C][Ring1][=Branch2][Ring1][Branch1] | c17cccn2nccc12.c15ccc(Cl)cc1.O=C37.C6C4.N36.O45 |
1928125 | O=C(Cc1c2cccccc-2[nH]c1=O)NCCc1ccccc1 | [O][=C][Branch1][P][C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][#Branch2][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c2cccccc-2[nH]c1=O.c16ccccc1.O=C3C5.C4C6.N34 |
1928126 | COc1ccc(NC(=O)Cc2c3cccccc-3[nH]c2=O)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][#Branch2][=O][C][=N][Ring2][Ring1][Branch1] | c17c2cccccc-2[nH]c1=O.c15ccc6cn1.C4(=O)C7.CO5.N46 |
1928128 | O=C(NCc1cccnc1)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16cccnc1.O=C35.N34.C46 |
1928129 | O=C(c1ccc2c(c1)[nH]c(=O)c1ccncc12)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c14ccc2c(c1)[nH]c(=O)c1ccncc12.N13CCc2ccccc21.O=C34 |
1928130 | O=C(NCc1ccccn1)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16ccccn1.O=C35.N34.C46 |
1928131 | O=C(NCc1cccs1)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16cccs1.O=C35.N34.C46 |
1928132 | O=C(NCc1cccc(F)c1)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16cccc(F)c1.O=C35.N34.C46 |
1928133 | O=C(NCc1ccc(F)cc1)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16ccc(F)cc1.O=C35.N34.C46 |
1928135 | CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc12 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][N] | c15ccc2c(c1)[nH]c(=O)c1ccncc12.c16ccccc1.CN34.C35=O.C46 |
1928136 | O=C(NCCOc1ccc2c(c1)OCO2)c1cc2c(cn1)OCC2 | [O][=C][Branch2][Ring1][Ring2][N][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][Ring1][#Branch1] | c15ccc2c(c1)OCO2.c17cc2c(cn1)OCC2.O=C37.C6C4.N36.O45 |
1928137 | O=C(c1cc2c(cn1)OCC2)N1CCc2ccccc2C1 | [O][=C][Branch1][S][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14cc2c(cn1)OCC2.O=C34 |
1928138 | CC1(C)COc2cnc(C(=O)N3CCc4ccccc4C3)cc21 | [C][C][Branch1][C][C][C][O][C][=C][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1] | CC1(C)COc2cnc6cc21.N15CCc2ccccc2C1.C56=O |
1928139 | CC(C)NC(=O)c1ccc2c(c1)Nc1nccnc1S2 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccc2c(c1)Nc1nccnc1S2.CC4C.C35=O.N34 |
1928140 | CC(C)CNC(=O)c1ccc2c(c1)Nc1nccnc1S2 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] | c15ccc2c(c1)Nc1nccnc1S2.CC(C)C4.C35=O.N34 |
1928143 | O=C(c1ccc2c(c1)Nc1nccnc1S2)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][N][C][C][C][C][Ring1][Branch1] | c14ccc2c(c1)Nc1nccnc1S2.N13CCCC1.O=C34 |
1928144 | Cn1c(C(=O)NCC2CCCCC2)cc2cnc3[nH]ccc3c21 | [C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][Ring2][Ring1][=Branch1] | Cn1c6cc2cnc3[nH]ccc3c21.C17CCCCC1.C46=O.N45.C57 |
1928145 | O=C(NCCCOc1ccc2c(c1)OCO2)c1[nH]cc2c1CCC2 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][NH1][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Branch1] | c15ccc2c(c1)OCO2.c17[nH]cc2c1CCC2.C6CC4.O=C37.N36.O45 |
1928146 | O=C(NCCc1ccccn1)c1[nH]cc2c1CCC2 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][NH1][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Branch1] | c15[nH]cc2c1CCC2.c16ccccn1.O=C35.C4C6.N34 |
1928147 | COc1ccccc1NC(=O)c1[nH]cc2c1CCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Branch1] | c16[nH]cc2c1CCC2.c14ccccc15.C36=O.CO4.N35 |
1928148 | COc1ccc(NC(=O)c2[nH]cc3c2CCC3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][P][O][C] | c15ccc7cc16.c18[nH]cc2c1CCC2.C48=O.CO5.N47.O6C |
1928149 | O=C(Cc1cc2c(s1)CCCC2=O)NC1CCCC1 | [O][=C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=O][N][C][C][C][C][C][Ring1][Branch1] | c15cc2c(s1)CCCC2=O.C14CCCC1.O=C3C5.N34 |
1928150 | O=C(Cn1ccc2ncccc2c1=O)NC1CCCCCC1 | [O][=C][Branch1][P][C][N][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1] | n15ccc2ncccc2c1=O.C14CCCCCC1.O=C3C5.N34 |
1928151 | O=C(c1ccc(F)cc1)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2nc6nc2C1.c15ccc(F)cc1.c16ccccn1.O=C45 |
1928152 | O=C(c1cccc(F)c1)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2nc6nc2C1.c15cccc(F)c1.c16ccccn1.O=C45 |
1928153 | O=C(c1ccc(Cl)cc1)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2nc6nc2C1.c15ccc(Cl)cc1.c16ccccn1.O=C45 |
1928154 | O=C(c1cccc(Cl)c1)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2nc6nc2C1.c15cccc(Cl)c1.c16ccccn1.O=C45 |
1928155 | O=C(c1ccccc1Cl)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N14CCn2nc6nc2C1.c15ccccc1Cl.c16ccccn1.O=C45 |
1928156 | O=C(NC1CCCCC1)N1CCn2nc(-c3ccccn3)nc2C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C] | N15CCn2nc7nc2C1.C16CCCCC1.c17ccccn1.O=C45.N46 |
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