ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928157 | CC(C)CC(=O)NCC(=O)N1Cc2nn3nccnc3c2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=N][N][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][Ring1][N] | N15Cc2nn3nccnc3c2C1.CC(C)CC4=O.C6C5=O.N46 |
1928158 | CC(C)(C)CC(=O)N1Cc2nn3nccnc3c2C1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][N][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][Ring1][N] | N14Cc2nn3nccnc3c2C1.CC(C)(C)CC4=O |
1928159 | O=C(c1ccc2ccccc2c1)N1Cc2nn3nccnc3c2C1 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=N][N][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][Ring1][N] | N14Cc2nn3nccnc3c2C1.c15ccc2ccccc2c1.O=C45 |
1928160 | O=C(C1CCCCC1)N1CCc2onc(-c3ccncc3)c2C1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C] | N14CCc2onc6c2C1.C15CCCCC1.c16ccncc1.O=C45 |
1928161 | O=C(NC(c1cccnc1)C(F)(F)F)c1n[nH]cc1Cl | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][NH1][C][=C][Ring1][Branch1][Cl] | C35C(F)(F)F.c15cccnc1.c14n[nH]cc1Cl.O=C24.N23 |
1928162 | COc1cc(NC(=O)N(C)Cc2cnc(N)nc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc9cc6c17.c1%10cnc(N)nc1.C34=O.N48C.CO5.N39.C8%10.O6C.O7C |
1928163 | CCC(=O)NCc1ccccc1-c1ccnc(C)c1 | [C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1] | c14ccccc15.c15ccnc(C)c1.CCC2=O.N23.C34 |
1928164 | c1cnc(SCc2ccc(-c3nc(C4CCOC4)no3)o2)nc1 | [C][=C][N][=C][Branch2][Ring1][N][S][C][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][O][Ring1][#C][N][=C][Ring2][Ring1][#Branch1] | c1cnc7nc1.c16ccc8o1.c18nc9no1.C19CCOC1.S57.C56 |
1928165 | CC(C)(C)n1nc(-c2ccncc2)nc1-c1cc[nH]n1 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][=C][NH1][N][=Ring1][Branch1] | n13nc5nc14.c15ccncc1.c14cc[nH]n1.CC3(C)C |
1928166 | Cc1cc(C)n(-c2ccc(-c3nc(C4CCOC4)no3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring1][S][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n5n1.c15ccc7cc1.c17nc6no1.C16CCOC1 |
1928167 | Cc1ccc2c(=O)cc(C(=O)N3CCC(C)(O)C(O)C3)oc2c1 | [C][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2c(=O)cc5oc2c1.N14CCC(C)(O)C(O)C1.C45=O |
1928168 | CCOc1ccc(NC(=O)NCCc2nc(C)cc(C)n2)c(F)c1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][C][F][=C][Ring2][Ring1][Branch1] | c16ccc8c(F)c1.c19nc(C)cc(C)n1.C34=O.C7C9.CC5.O56.N38.N47 |
1928169 | O=C(NC1CC1)c1ccc(-c2cccc(CN3CCOCC3)c2)s1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][S][Ring2][Ring1][C] | c19cccc8c1.c17ccc9s1.N15CCOCC1.O=C47.C16CC1.N46.C58 |
1928170 | CC(=O)N1CCCC(c2nc(-c3cn4ccccc4n3)no2)C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C][C][Ring2][Ring1][Ring2] | c16cn2ccccc2n1.N15CCCC7C1.c17nc6no1.CC5=O |
1928172 | Cc1n[nH]c(C)c1Cc1nc(-c2ccncc2)nn1CCO | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][O] | Cc1n[nH]c(C)c15.c14nc6nn13.c16ccncc1.C3CO.C45 |
1928173 | c1nc(-c2ccc(-c3nc(C4CCOC4)no3)cc2)n[nH]1 | [C][=N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring1][S][=N][NH1][Ring2][Ring1][Branch1] | c16ccc7cc1.c17nc5no1.c1nc6n[nH]1.C15CCOC1 |
1928176 | COc1ccc(-c2cccc(C(C)O)n2)c(OC)n1 | [C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][Ring1][=Branch2][C][Branch1][Ring1][O][C][=N][Ring1][P] | c13ccc6c4n1.c16cccc5n1.C5(C)O.CO3.O4C |
1928177 | COc1cc(-c2nn(C)c3cccc(C)c23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][O][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c17nn(C)c2cccc(C)c12.c14cc7cc5c16.CO4.O5C.O6C |
1928178 | COCCN1CC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1=O | [C][O][C][C][N][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][=O] | N18CC7CC1=O.c16cccc9c1.C9(F)(F)F.C5C8.C34=O.CO5.N37.N46 |
1928179 | O=C(CN1CC(c2ccccc2)CC1=O)NC1(CO)CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][N][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1] | N15CC7CC1=O.c17ccccc1.C146CCCC1.O=C3C5.N34.C6O |
1928180 | CN(C)C(=O)N1CCN(C(=O)C2CCOc3ccccc3C2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][Ring2][Ring1][Ring1] | C17CCOc2ccccc2C1.N15CCN6CC1.CN4C.C45=O.C67=O |
1928181 | Cn1nc(-c2ccc(Cl)c(C(F)(F)F)c2)nc1N1CCOCC1 | [C][N][N][=C][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][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Cl)c4c1.Cn1nc5nc13.N13CCOCC1.C4(F)(F)F |
1928182 | Cc1nc(-c2cccc(-n3cccn3)c2)n(CCO)n1 | [C][C][N][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][N][Branch1][Ring2][C][C][O][N][=Ring2][Ring1][Ring1] | Cc1nc6n4n1.c16cccc5c1.n15cccn1.C4CO |
1928183 | Cc1ccc(NC(=O)NC(C)c2nccs2)c(C)n1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=N][Ring2][Ring1][C] | Cc1ccc6c(C)n1.c17nccs1.C34=O.C57C.N36.N45 |
1928184 | CCn1cc(NC(=O)NCCCSc2nnc(C)s2)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][Ring2] | n18cc7c(C)n1.c19nnc(C)s1.C5CC6.C34=O.CC8.N37.N45.S69 |
1928185 | O=C(Cc1cscn1)N1CCCC1c1ccco1 | [O][=C][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | N12CCCC14.c13cscn1.c14ccco1.O=C2C3 |
1928186 | Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CCC(C)(O)C(O)C1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2] | N12CCC(C)(O)C(O)C1.Cn1nc4c(Cl)c13.C4(F)(F)F.C23=O |
1928187 | Cc1nnc(CCNC(=O)C2CCOc3ccccc3C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][S][Ring2][Ring1][Branch1] | C16CCOc2ccccc2C1.Cc1nnc7s1.C7C5.C46=O.N45 |
1928188 | COC(=O)c1ccc(NC(=O)NCCc2nc(C)cc(C)n2)c(C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | c18ccc7c(C)c1.c19nc(C)cc(C)n1.C38=O.C45=O.C6C9.CO3.N47.N56 |
1928189 | C=CCN1CC(NC(=O)c2cnc(C)cn2)CC1C(=O)NCC | [C][=C][C][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][N][C][C] | N15CC7CC18.c19cnc(C)cn1.C=CC5.C39=O.C48=O.N37.N46.C6C |
1928190 | COc1ccc(F)c(-c2ccc(C(N)=O)s2)c1 | [C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][=C][Ring1][#C] | c13ccc(F)c5c1.c15ccc4s1.C4(N)=O.CO3 |
1928191 | c1ccc(-c2nccn2Cc2nc(C3CCOC3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c1ccc7cc1.c17nccn14.c15nc6no1.C16CCOC1.C45 |
1928192 | O=c1cnc(-c2nc(C3CCOCC3)nn2CC2COCCO2)c[nH]1 | [O][=C][C][=N][C][Branch2][Ring1][O][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][O][C][C][C][O][C][C][O][Ring1][=Branch1][=C][NH1][Ring2][Ring1][Branch2] | O=c1cnc6c[nH]1.c16nc7nn14.C17CCOCC1.C15COCCO1.C45 |
1928193 | CCn1nc(CC(C)C)cc1-c1nc(CCOC)no1 | [C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=N][C][Branch1][Branch1][C][C][O][C][=N][O][Ring1][=Branch2] | n13nc4cc16.c16nc5no1.C4C(C)C.C5C2.CC3.O2C |
1928194 | Cc1ncc(C(=O)NCCCn2c(C)cccc2=O)c(=O)[nH]1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1] | Cc1ncc5c(=O)[nH]1.n16c(C)cccc1=O.C4CC6.C35=O.N34 |
1928195 | Cn1nnnc1SCCNC(=O)Nc1ccc(F)nc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] | c16ccc(F)nc1.Cn1nnnc17.C5C4.C23=O.S57.N24.N36 |
1928196 | CNC(=O)c1ccc(OC)c(-c2ccncc2F)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=C][Ring1][#C] | c15ccc4c6c1.c16ccncc1F.C35=O.CN3.O4C |
1928197 | Cc1nc(CC(=O)N2CCC3(CC2)c2ccccc2CC3O)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][O][=C][S][Ring2][Ring1][#Branch1] | N14CCC2(CC1)c1ccccc1CC2O.Cc1nc5cs1.C5C4=O |
1928198 | CCc1cc(C(=O)N2CCC(C)(O)C(O)C2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | N13CCC(C)(O)C(O)C1.c15cc4cc(=O)[nH]1.C34=O.CC5 |
1928199 | Cc1noc(C)c1Cc1nc(C2CCOCC2)nn1CC(F)(F)F | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F] | Cc1noc(C)c15.c14nc6nn13.C16CCOCC1.C3C(F)(F)F.C45 |
1928200 | COc1ccc(-c2ccc3c(cnn3C)c2)c(OC)n1 | [C][O][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][C] | c16ccc2c(cnn2C)c1.c14ccc6c5n1.CO4.O5C |
1928201 | Cc1cc(C)cc(NC(=O)N2Cc3nc(C)[nH]c(=O)c3C2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][O][=C][Ring2][Ring1][Branch1] | N15Cc2nc(C)[nH]c(=O)c2C1.Cc1cc6cc(C)c1.C45=O.N46 |
1928202 | CCn1nc(Cc2ccccc2OC)nc1CCn1ccccc1=O | [C][C][N][N][=C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=C][Ring1][=C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] | n14nc6nc17.c18ccccc13.n15ccccc1=O.C7C5.CC4.C68.O3C |
1928203 | CCCSc1ccccc1NC(=O)N(C)Cc1cnc(N)nc1 | [C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1] | c18ccccc16.c17cnc(N)nc1.CCC5.C23=O.N34C.S58.N26.C47 |
1928204 | Cc1ccc(CCNc2nccc(-c3ccccn3)n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][O][Ring2][Ring1][Ring2] | c15nccc7n1.Cc1ccc6o1.c17ccccn1.C6C4.N45 |
1928205 | O=C(CCc1n[nH]c2c1CCCC2)N(Cc1ccsc1)C1CC1 | [O][=C][Branch1][S][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | c16n[nH]c2c1CCCC2.O=C3CC6.c17ccsc1.N345.C15CC1.C47 |
1928208 | CCCn1ncc(-c2nc(CCOC)no2)c1C | [C][C][C][N][N][=C][C][Branch1][=C][C][=N][C][Branch1][Branch1][C][C][O][C][=N][O][Ring1][=Branch2][=C][Ring1][=C][C] | n14ncc6c1C.c16nc5no1.CCC4.C5C3.O3C |
1928209 | O=C(CCCc1cn[nH]c1)N1CCC(OCc2ccccc2)CC1 | [O][=C][Branch1][O][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | N13CCC5CC1.O=C3CCC6.c17ccccc1.c16cn[nH]c1.O45.C47 |
1928210 | Cc1cc(C(=O)NC2CCCCC2O)c(=O)[nH]c1C | [C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][NH1][C][=Ring1][P][C] | Cc1cc5c(=O)[nH]c1C.C14CCCCC1O.C35=O.N34 |
1928211 | COCCc1noc(C2CC(=O)N(C3CC3)C2)n1 | [C][O][C][C][C][=N][O][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][=N][Ring1][=C] | C17CC(=O)N6C1.c15noc7n1.C4C5.C16CC1.CO4 |
1928212 | CCCn1nc(-c2ccc(C)o2)nc1C(CC)OC | [C][C][C][N][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][=C][Ring1][O][C][Branch1][Ring1][C][C][O][C] | n14nc6nc15.c16ccc(C)o1.C35CC.CCC4.O3C |
1928213 | Fc1cccc(-n2nc(C3CC3)nc2CCn2cnnn2)c1 | [F][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | Fc1cccc6c1.n16nc7nc15.n14cnnn1.C17CC1.C5C4 |
1928214 | Cc1n[nH]cc1-c1c(C(C)(C)C)nc2ncccn12 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][=C][C][=C][N][Ring1][=N][Ring1][=Branch1] | c14c3nc2ncccn12.Cc1n[nH]cc14.C3(C)(C)C |
1928215 | Cc1nn(C)c2nc(NCc3noc(C(N)=O)n3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][P][N][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2][S][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2nc5sc12.c17noc6n1.C6(N)=O.N45.C47 |
1928216 | Cc1ncc(-c2nc(C3CCOC3)no2)c(-c2ccccc2)n1 | [C][C][=N][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1ncc5c6n1.c15nc4no1.c16ccccc1.C14CCOC1 |
1928217 | CCCn1cnnc1CNC(=O)Nc1ccnn1CC1CC=CCC1 | [C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][=C][C][C][Ring1][=Branch1] | n16cnnc18.c15ccnn17.C19CC=CCC1.CCC6.C23=O.C48.N24.N35.C79 |
1928218 | c1cc2c(c(-c3nc(C4CCOC4)no3)c1)OCCO2 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring1][S][O][C][C][O][Ring2][Ring1][C] | c1cc6c2c(c1)OCCO2.c16nc5no1.C15CCOC1 |
1928219 | CCCn1nc(CCOC)nc1-c1cc(C)nc(C)c1 | [C][C][C][N][N][=C][Branch1][Branch1][C][C][O][C][N][=C][Ring1][=Branch2][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=C][Ring1][Branch2] | c15cc(C)nc(C)c1.n13nc4nc15.CCC3.C4C2.O2C |
1928220 | Cc1nc(C)c(CC(=O)N2CCC(C)(O)C(O)C2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][S][Ring2][Ring1][C] | N13CCC(C)(O)C(O)C1.Cc1nc(C)c4s1.C4C3=O |
1928221 | CC(C)c1cc(-c2nc(CN3CCOCC3)no2)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][C] | c15cc7n(C)n1.c17nc6no1.N14CCOCC1.CC5C.C46 |
1928222 | CCOC(=O)N1CCN(C(=O)CCc2n[nH]c3c2CCCC3)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c18n[nH]c2c1CCCC2.N15CCN6CC1.C6(=O)CC8.C45=O.CC7.O47 |
1928223 | Cc1nn(C)c2nc(N3CCN4C(=O)CN(C)C(=O)C4C3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][C][Ring1][=N][S][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | N15CCN2C(=O)CN(C)C(=O)C2C1.Cc1nn(C)c2nc5sc12 |
1928224 | COc1nc(C)cc(C)c1CNC(=O)Nc1cn(C)nn1 | [C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1] | c14nc(C)cc(C)c17.c16cn(C)nn1.C23=O.CO4.C57.N25.N36 |
1928225 | CCc1ccc2nc(C)cc(C(=O)N3CCOCC(CO)C3)c2c1 | [C][C][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c17ccc2nc(C)cc5c2c1.N14CCOCC6C1.C45=O.CC7.C6O |
1928226 | COc1ccnc(N2CC3c4ccccc4OCC3(CO)C2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][Branch1][Ring1][C][O][C][Ring1][#C][=N][Ring2][Ring1][Branch1] | N16CC2c3ccccc3OCC27C1.c15ccnc6n1.CO5.C7O |
1928227 | Cc1cnn(C(C)C2CC2)c1NC(=O)N1CCC(c2cc[nH]n2)CC1 | [C][C][C][=N][N][Branch1][#Branch2][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O] | Cc1cnn6c15.N14CCC8CC1.c18cc[nH]n1.C67C.C17CC1.C34=O.N35 |
1928228 | Cc1nnc2n1C(C)CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 | [C][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][Ring2] | Cc1nnc2n1C(C)CN4C2.c15cccc6c1.c16ncc[nH]1.C45=O |
1928229 | COCCNC(=O)c1cccc(NC(=O)NC2CCC2)c1C | [C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=C][Ring1][=C][C] | c1%10cccc8c1C.C19CCC1.C6C7.C3%10=O.C45=O.CO6.N37.N48.N59 |
1928230 | CC(C)Cc1nc(CN2CC3c4ccccc4OCC3(CO)C2)no1 | [C][C][Branch1][C][C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][Branch1][Ring1][C][O][C][Ring1][#C][=N][O][Ring2][Ring1][Branch1] | N15CC2c3ccccc3OCC28C1.c16nc7no1.CC(C)C6.C57.C8O |
1928231 | O=C(C1CCC1)N1CCC(c2nc(CN3CCOCC3)no2)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N][C][C][Ring2][Ring1][C] | N14CCC8CC1.c18nc7no1.N15CCOCC1.C16CCC1.O=C46.C57 |
1928232 | Cc1cc(C(=O)N2CC3c4ccccc4OCC3(CO)C2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#Branch2][Branch1][Ring1][C][O][C][Ring1][#C][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | N15CC2c3ccccc3OCC27C1.Cc1cc6c(C)o1.C56=O.C7O |
1928233 | CS(=O)(=O)NC1CCN(c2ccc3cccc(Cl)c3n2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1][=N][Ring1][O][C][C][Ring1][P] | c15ccc2cccc(Cl)c2n1.C16CCN5CC1.CS4(=O)=O.N46 |
1928234 | Cc1nc(-c2c(C)nn(C)c2C)n(Cc2ccccc2)n1 | [C][C][N][=C][Branch1][#C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | c15c(C)nn(C)c1C.Cc1nc5n3n1.c14ccccc1.C34 |
1928236 | COc1nccc(-c2cccc(-n3cccn3)c2)c1C#N | [C][O][C][=N][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][=C][Ring1][P][C][#N] | c14nccc6c1C#N.c16cccc5c1.n15cccn1.CO4 |
1928237 | N#Cc1cnn2cc(C=CC3CCCCC3)cnc12 | [N][#C][C][C][=N][N][C][=C][Branch1][O][C][=C][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=Ring1][P][Ring1][=C] | N#Cc1cnn2cc(C=4)cnc12.C=4C1CCCCC1 |
1928238 | COC(=O)CCN1CCN(c2nc3c(s2)c(C)nn3C)CC1 | [C][O][C][=Branch1][C][=O][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring1][S] | c16nc2c(s1)c(C)nn2C.N15CCN6CC1.C4(=O)CC5.CO4 |
1928239 | Cc1nn(CCC(N)=O)c(C)c1-c1cncc(N)c1 | [C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring1][O][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1] | Cc1nn2c(C)c13.c13cncc(N)c1.C2CC(N)=O |
1928242 | C=C(C)CN1CCN(c2nc3c(s2)c(C)nn3C)CC1 | [C][=C][Branch1][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring1][S] | c15nc2c(s1)c(C)nn2C.N14CCN5CC1.C=C(C)C4 |
1928243 | Cc1cc(CC2COCC2NC(=O)Cn2cc(Cl)c(C)n2)on1 | [C][C][C][=C][Branch2][Ring1][N][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][Ring1][#Branch1][O][N][=Ring2][Ring1][=Branch1] | n15cc(Cl)c(C)n1.Cc1cc6on1.C17COCC14.C3(=O)C5.C67.N34 |
1928244 | Cc1nnc(-c2ccccc2-c2cnn(CCN3CCOCC3)c2)o1 | [C][C][=N][N][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][=N][O][Ring2][Ring1][Branch2] | c16ccccc17.Cc1nnc6o1.c17cnn5c1.N14CCOCC1.C5C4 |
1928245 | COc1cccc(Nc2nc3c(s2)c(C)nn3C)n1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=N][Ring1][P] | c16nc2c(s1)c(C)nn2C.c14cccc5n1.CO4.N56 |
1928246 | Cc1cc(C(=O)NC2CCCN(C(=O)c3ccco3)C2)c(=O)[nH]c1C | [C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=N][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][#Branch1][C] | Cc1cc8c(=O)[nH]c1C.C16CCCN5C1.c17ccco1.C48=O.C57=O.N46 |
1928247 | CN(Cc1ccc2nonc2c1)c1nccc(-c2cccnc2)n1 | [C][N][Branch1][#C][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] | c15ccc2nonc2c1.c14nccc6n1.c16cccnc1.CN34.C35 |
1928248 | COCc1noc(CNC(=O)Nc2ccnn2CC2CC=CCC2)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][=C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | c19noc%10n1.c17ccnn18.C1%11CC=CCC1.C34=O.CO5.C59.C6%10.N36.N47.C8%11 |
1928249 | Cc1nn(C)c2nc(N3CCCC(O)(CO)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][P][N][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][#Branch2][S][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2nc4sc12.N14CCCC5(O)CC1.C5O |
1928250 | Cc1ccc2c(-c3c(C)nn(CC(N)=O)c3C)cccc2n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][Branch1][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Ring1][#Branch2][C][=C][C][=C][C][Ring1][P][=N][Ring2][Ring1][Branch1] | Cc1ccc2c5cccc2n1.c15c(C)nn4c1C.C4C(N)=O |
1928251 | O=C(NCC1CCCO1)Nc1ccccc1CCc1ccccn1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc18.c17ccccn1.C16CCCO1.O=C23.C8C7.N24.C46.N35 |
1928252 | CCCn1nc(-c2ccncc2)nc1C1(COC)CCC1 | [C][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][Branch1][Ring2][C][O][C][C][C][C][Ring1][#Branch1] | n14nc7nc16.c17ccncc1.C156CCC1.CCC4.C35.O3C |
1928253 | O=C(Nc1cccc(-c2ccccn2)c1)NC1CCC(O)CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15cccc7c1.C16CCC(O)CC1.c17ccccn1.O=C34.N35.N46 |
1928254 | CCCCC1C(=O)N(C)CCN1C(=O)Nc1cccc2[nH]nnc12 | [C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][NH1][N][=N][C][Ring1][=Branch2][=Ring1][Branch1] | C16C(=O)N(C)CCN13.c15cccc2[nH]nnc12.CCCC6.C34=O.N45 |
1928255 | CN(C)C(=O)Cc1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][N][C][=C][Ring2][Ring1][C] | c18ccc9cc1.c19cccc7c1.C4(=O)C8.CN4C.C57=O.C16CC1.N56 |
1928256 | CCSc1cccc(-c2cnc3c(C(N)=O)cnn3c2)c1 | [C][C][S][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][Ring1][Branch2][C][=Ring1][N][=C][Ring2][Ring1][C] | c17cnc2c5cnn2c1.c16cccc7c1.C5(N)=O.CC4.S46 |
1928257 | Cc1nc(SCc2cc(=O)[nH]c3ccccc23)[nH]c1C | [C][C][N][=C][Branch2][Ring1][Ring2][S][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][NH1][C][=Ring2][Ring1][C][C] | c15cc(=O)[nH]c2ccccc12.Cc1nc6[nH]c1C.S46.C45 |
1928259 | CC(=O)Nc1cccc(OCc2nnc(-c3ccc(C)o3)o2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c17cccc6c1.c18nnc9o1.c19ccc(C)o1.CC4=O.N47.O56.C58 |
1928260 | Cc1nn(C)c2nc(N(C)Cc3noc(CC(C)C)n3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][C][=N][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc5sc12.c16noc7n1.C7C(C)C.N45C.C46 |
1928261 | Cc1cccc(N2CCN(Cc3nc(C4CCOC4)no3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.N16CCN5CC1.c17nc8no1.C18CCOC1.C57 |
1928262 | Cn1ncc(-c2ccccc2)c1NC(=O)NC1CCC(O)CC1 | [C][N][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | Cn1ncc7c15.C16CCC(O)CC1.c17ccccc1.C34=O.N35.N46 |
1928263 | COc1ccc(-c2c(C)nn(CC(N)=O)c2C)c(OC)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][Branch1][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Ring1][#Branch2][C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][Ring1] | c13ccc6c4n1.c16c(C)nn5c1C.C5C(N)=O.CO3.O4C |
1928264 | CCN(CC)C(=O)c1ccc(-c2ccncc2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=N] | c16ccc7cc1.c17ccncc1C.N345.C36=O.CC4.C5C |
1928265 | COc1c(F)cc(F)cc1-c1cnn2cccnc12 | [C][O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1] | c13c4cc(F)cc1F.c14cnn2cccnc12.CO3 |
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