ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7242 | CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 | [C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnc2c1c(=O)n(C)c(=O)n2C.c14ccccc1.C3(=O)C5.CN34 |
7243 | CCCN(CCC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.C3(=O)C6.CCC4.N345.C5CC |
7244 | Cc1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c16nc2ccccc2o1.Cc1ccc7cc1.N15CCN6CC1.C57=O |
7245 | COc1ccc(S(=O)(=O)Nc2sccc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][C][=C][Ring1][P] | c13ccc(S4(=O)=O)cc1.c15sccc1C#N.CO3.N45 |
7246 | COc1ccc2c(c1OC)C(=O)N(c1ccc(F)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15ccc(F)cc1.CO3.O4C |
7247 | N#Cc1ccsc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | [N][#C][C][C][=C][S][C][=Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | S3(=O)(=O)c1ccc2cc1.N#Cc1ccsc14.O2C(F)(F)F.N34 |
7248 | CC(C)(O)C#Cc1ccc(C(=O)NCc2ccccc2)s1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | CC(C)(O)C#Cc1ccc5s1.c16ccccc1.C35=O.N34.C46 |
7249 | Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c16ccccc1.C5C3=O.C4C6.N34 |
7250 | CC(C)(O)C#Cc1ccc(C(=O)NCc2ccccc2F)cc1 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | CC(C)(O)C#Cc1ccc5cc1.c16ccccc1F.C35=O.N34.C46 |
7251 | Cn1c(=O)c2c(ncn2CC(=O)NCc2ccco2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c16ccco1.C5C3=O.N34.C46 |
7252 | COC(=O)c1c(C)sc2c(C(F)(F)F)cc(OC)nc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][S][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][S][Ring1][N] | c15c(C)sc2c6cc4nc12.C6(F)(F)F.C35=O.CO3.O4C |
7254 | COC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.C3(=O)C5.C4(=O)C6.CO3.N45 |
7255 | O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(Br)cc1.c14ccc5o1.N13CCOCC1.O=C34 |
7256 | O=C(c1ccc(-c2ccccc2Cl)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc1Cl.c14ccc5o1.N13CCOCC1.O=C34 |
7257 | CSc1ccccc1NC(=O)Cn1nnc(-c2ccccc2)n1 | [C][S][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][=N][Ring1][O] | c16ccccc14.n15nnc7n1.c17ccccc1.C3(=O)C5.CS6.N34 |
7258 | CCOC(=O)c1cn(CC)c2c(ccc3ccccc32)c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][S][=O] | c16cn7c2c(ccc3ccccc32)c1=O.C46=O.CC5.O45.C7C |
7259 | CC(C)NC(=O)C1c2ccccc2Oc2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | C3(=O)C1c2ccccc2Oc2ccccc21.CC4C.N34 |
7260 | O=C(C1c2ccccc2Oc2ccccc21)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][N][C][C][C][C][Ring1][Branch1] | O=C3C1c2ccccc2Oc2ccccc21.N13CCCC1 |
7262 | O=C(Cn1ccc(C(F)(F)F)n1)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c12ccc(Cl)cc1.n13ccc4n1.O=C2C3.C4(F)(F)F |
7263 | CCN(CC)C(=O)Cn1nnc(-c2ccc(C)cc2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N] | c17ccc(C)cc1.n16nnc7n1.C3(=O)C6.N345.CC4.C5C |
7264 | CCN(CC)C(=O)Cn1nnc(-c2ccccc2F)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c17ccccc1F.n16nnc7n1.C3(=O)C6.N345.CC4.C5C |
7265 | Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c6nnc17.c15ccc(F)cc1.c17cccnc1.C4C3=O.S46.N35 |
7266 | O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.n14ccc5n1.O=C2C4.C5(F)(F)F.N23 |
7267 | Cn1c(=O)c2c(ncn2CC(=O)NCc2ccncc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c16ccncc1.C5C3=O.N34.C46 |
7268 | NC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | C3(=O)C1c2ccccc2Oc2ccccc21.c15ccccc14.NC5=O.N34 |
7269 | CCN1C(=O)OC(C)(CCc2ccccc2)C1(C)O | [C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][Branch1][C][C][O] | N13C(=O)OC4(C)C1(C)O.c15ccccc1.C4C5.CC3 |
7270 | NC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | C4(=O)C1c2ccccc2Oc2ccccc21.c16ccc5cc1.NC6=O.N45 |
7271 | Nc1ccccc1Sc1nccc(C(F)(F)F)n1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2] | Nc1ccccc14.c13nccc2n1.C2(F)(F)F.S34 |
7272 | CC1(CCc2ccccc2)OC(=O)N(CCO)C1(C)O | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][Ring1][P][Branch1][C][C][O] | CC14OC(=O)N3C1(C)O.c15ccccc1.C4C5.C3CO |
7273 | CCCC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.CCCC4C.C3(=O)C5.N34 |
7274 | CC1(CCc2ccccc2)OC(=O)N(Cc2ccccn2)C1(C)O | [C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][Branch1][C][C][O] | CC14OC(=O)N3C1(C)O.c16ccccc1.c15ccccn1.C4C6.C35 |
7275 | Nc1ccccc1SCC(O)Cn1ccc2ccccc21 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n14ccc2ccccc21.Nc1ccccc15.C3C(O)C4.S35 |
7276 | Cc1cc2ncn(S(=O)(=O)c3ccccc3)c2cc1C | [C][C][=C][C][N][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C] | Cc1cc2ncn(S(=O)(=O)c3ccccc3)c2cc1C |
7277 | Cc1cc(OCC(=O)Nc2nccs2)ccc1Br | [C][C][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][S][Br] | Cc1cc5ccc1Br.c16nccs1.C4C3=O.O45.N36 |
7278 | COc1cc(NC(=O)c2cccnc2)c(OC)cc1Br | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Br] | c14cc6c5cc1Br.c17cccnc1.C37=O.CO4.N36.O5C |
7279 | COc1cc(NC(C)=O)c(OC)cc1Br | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Br] | c13cc5c4cc1Br.C2(C)=O.CO3.N25.O4C |
7280 | COc1cc(NC(=O)c2ccco2)c(OC)cc1Br | [C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][Br] | c14cc6c5cc1Br.c17ccco1.C37=O.CO4.N36.O5C |
7281 | CCS(=O)(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][C][Ring1][P] | N14CCN5CC1.c15nc6ns1.c16ccccc1.CCS4(=O)=O |
7283 | Cn1c(=O)c2c(nc(Sc3ccc(Cl)cc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.c15ccc(Cl)cc1.S45 |
7284 | Cn1nc(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c14ccc(Cl)cc1.C5C3=O.N34 |
7285 | CC(O)c1nc2ccccc2n1Cc1ccccc1F | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14nc2ccccc2n13.c15ccccc1F.CC4O.C35 |
7286 | COc1ccc2[nH]c3c(N4CCCCC4)ncnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2[nH]c3c6ncnc3c2c1.N16CCCCC1.CO5 |
7287 | Cc1ccc2[nH]c3c(N4CCCCC4)ncnc3c2c1 | [C][C][=C][C][=C][NH1][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2[nH]c3c5ncnc3c2c1.N15CCCCC1 |
7289 | CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(C)=O | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O] | c17[nH]c2ccc(F)cc2c16.C37=O.C4(C)=O.CC5.O35.N46 |
7290 | CCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(F)cc12 | [C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#C][Ring1][#Branch1] | c16c7[nH]c2ccc(F)cc12.CCCC4=O.C37=O.N46.O35.C5C |
7291 | CC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nc2ccccc2n15.c17ccccc1Cl.CC3=O.C4C6.N34.C57 |
7293 | COC(=O)c1cn(Cc2cc(OC)ccc2OC)cc(F)c1=O | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Branch1][C][F][C][Ring2][Ring1][C][=O] | c16cn7cc(F)c1=O.c18cc4ccc15.C36=O.CO3.C78.O4C.O5C |
7294 | COC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)cc(F)c1=O | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][C][F][C][Ring2][Ring1][C][=O] | c14cn5cc(F)c1=O.c16ccc7cc1.C7(F)(F)F.C34=O.CO3.C56 |
7295 | CCOC(=O)c1cc2ncc(C(F)(F)F)cc2s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N] | c15cc2ncc6cc2s1.C6(F)(F)F.C35=O.CC4.O34 |
7296 | O=C(CNc1nncs1)c1c[nH]c2ccccc12 | [O][=C][Branch1][#Branch2][C][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15c[nH]c2ccccc12.c14nncs1.O=C5C3.N34 |
7298 | Cn1c(=O)c2cn3c4ccccc4nc(C(F)(F)F)c3c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C][=C][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2cn3c4ccccc4nc5c3c2n(C)c1=O.C5(F)(F)F |
7299 | Cc1ccc2c(C(=O)CNc3nccs3)c(C)[nH]c2c1 | [C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2c6c(C)[nH]c2c1.c15nccs1.C6(=O)C4.N45 |
7300 | Cn1c(=O)c2c(cn3ccc4ccccc4c23)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][C][=Branch2][Ring1][C][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][Ring1][#Branch2][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O] | Cn1c(=O)c2c(cn3ccc4ccccc4c23)n(C)c1=O |
7301 | Cc1ccc2c(C(=O)CNc3nncs3)c(C)[nH]c2c1 | [C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][N][C][=N][N][=C][S][Ring1][Branch1][=C][Branch1][C][C][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2c6c(C)[nH]c2c1.c15nncs1.C6(=O)C4.N45 |
7302 | COc1ccc2c(c1)c(C(=O)CNc1nccs1)c(C)n2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][C][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][S][C] | c13ccc2c(c1)c6c(C)n2C.c15nccs1.C6(=O)C4.CO3.N45 |
7303 | COc1ccc2c(c1)c(C(=O)CNc1nc(C)cs1)c(C)n2C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][P][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][P][C] | c13ccc2c(c1)c6c(C)n2C.c15nc(C)cs1.C6(=O)C4.CO3.N45 |
7305 | O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c15ccc2c3c(c(=O)oc2c1)CCC3.c16ccco1.O=C46.O45 |
7306 | c1ccc(C2CC(c3ccco3)n3ncnc3N2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | C14CC(c2ccco2)n2ncnc2N1.c1ccc4cc1 |
7307 | COc1cc(-c2nnn(Cc3ccccc3C)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c14cc9cc5c16.c18ccccc1C.c19nnn7n1.CO4.C78.O5C.O6C |
7308 | COc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][O][C] | c16ccc9cc17.c18ccc%10cc1.C49=O.C3%10=O.C5(C)C.CO6.N48.O35.O7C |
7309 | O=C(Cn1nnc(-c2ccccc2F)n1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc1F.n14nnc5n1.N13CCOCC1.O=C3C4 |
7310 | c1ccc(C2=Nc3ncnn3C(c3ccc4c(c3)OCO4)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][S][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c1ccc(C2=Nc3ncnn3C(c3ccc4c(c3)OCO4)C2)cc1 |
7311 | COc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | C18COc2ccccc2O1.c15ccc9cc16.C9C4=O.CO5.N47.C78.O6C |
7313 | CC(C)OC(=O)c1ccc(NC(=O)c2cccnc2)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c17ccc6cc1.c18cccnc1.CC5C.C37=O.C48=O.O35.N46 |
7314 | COc1ccc(C(=O)NCC2OCCc3ccccc32)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | C7C1OCCc2ccccc21.c15ccc8c6c1.C48=O.CO5.N47.O6C |
7315 | CC(C)OC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C18COc2ccccc2O1.c19ccc7cc1.CC6C.C49=O.C58=O.O46.N57 |
7316 | CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N][N][=N][Ring2][Ring1][Ring1] | c16nc7nc8n1.c14ccc5nn1.N7(C)C.N8(C)C.CC3.O34.O56 |
7317 | CCOC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | S6(=O)(=O)c1cccs1.N14CCN6CC1.C34=O.CC5.O35 |
7318 | CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c17c6sc2c1CCC(C)C2.c18cccnc1.C37=O.C48=O.CC5.O35.N46 |
7319 | COc1ccc(C2OCCCO2)c(Cl)c1OC | [C][O][C][=C][C][=C][Branch1][=Branch2][C][O][C][C][C][O][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=N][O][C] | c13ccc5c(Cl)c14.C15OCCCO1.CO3.O4C |
7321 | CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccccn3)cc21 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] | CC1=CC(C)(C)Nc2ccc5cc21.c16ccccn1.C46=O.O45 |
7322 | Cc1cnc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(F)cc1.Cc1cnc4c(Br)c1.N34 |
7323 | COC(=O)CSc1nc(C)c2ccc(OC)cc2n1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=N][Ring1][=N] | c16nc(C)c2ccc4cc2n1.C3(=O)C5.CO3.S56.O4C |
7325 | Cc1cc(C)nc(SCC(=O)N2CCc3ccccc3C2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] | N14CCc2ccccc2C1.Cc1cc(C)nc6n1.C5C4=O.S56 |
7326 | CCOC(=O)c1cn(CC)c2cc(N3CCCCC3)c(F)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][Ring1][=O] | c17cn8c2cc6c(F)cc2c1=O.N16CCCCC1.C47=O.CC5.O45.C8C |
7327 | CCN(CC)c1ncnc2c1nnn2Cc1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ncnc2c1nnn26.c17ccccc1.N345.CC3.C4C.C67 |
7328 | CCOC(=O)c1cn(CC)c2cc(N3CCCC3)c(F)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Branch1][C][F][C][=C][Ring1][N][C][Ring2][Ring1][C][=O] | c17cn8c2cc6c(F)cc2c1=O.N16CCCC1.C47=O.CC5.O45.C8C |
7329 | O=S(=O)(c1cccc(Cl)c1)N1C=CC(C(F)(F)F)=NCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][C][Ring1][O] | N12C=CC(C(F)(F)F)=NCC1.O=S2(=O)c1cccc(Cl)c1 |
7330 | O=S(=O)(c1ccc(F)cc1)N1C=CC(C(F)(F)F)=NCC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][C][Ring1][O] | N12C=CC(C(F)(F)F)=NCC1.O=S2(=O)c1ccc(F)cc1 |
7331 | CC1(C)OC(=O)N(CC(=O)Nc2ccc(F)cc2)C1(C)O | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][Branch1][C][C][O] | CC1(C)OC(=O)N5C1(C)O.c14ccc(F)cc1.C5C3=O.N34 |
7332 | O=C(c1ccccc1Cl)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCn2c1nc1ccccc12.c14ccccc1Cl.O=C34 |
7333 | COC(=O)Cc1nc(NC(=O)c2cccs2)sc1C | [C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][=N][C] | c17nc5sc1C.c16cccs1.C3(=O)C7.C46=O.CO3.N45 |
7334 | Cc1ccc(NC(=O)CN2C(=O)OC(C)(C)C2(C)O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][O][C][=C][Ring2][Ring1][Ring2] | N15C(=O)OC(C)(C)C1(C)O.Cc1ccc4cc1.C3(=O)C5.N34 |
7335 | c1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=N][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16nnc2c5ncnc21.c1ccc7cc1.N15CCOCC1.C67 |
7336 | c1ccc(Cn2nnc3c(N4CCCCCC4)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][N][=N][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | n16nnc2c5ncnc21.N15CCCCCC1.c1ccc7cc1.C67 |
7337 | c1ccc(Cn2nnc3c(N4CCc5ccccc54)ncnc32)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][N][N][=N][C][=C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] | n17nnc2c6ncnc21.N16CCc2ccccc21.c1ccc8cc1.C78 |
7338 | COc1ccc(CNc2nc3ccccc3[nH]2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.c14ccc8c5c1.CO4.C68.N67.O5C |
7339 | Cc1cccc(C)c1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cc1cccc(C)c14.c15ccc6cc1.C3C2=O.C6(N)=O.O34.N25 |
7340 | Cc1cccc(C)c1OCC(=O)NCc1ccccc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc(C)c14.c16ccccc1.C3C2=O.O34.N25.C56 |
7341 | Cc1cccc(C)c1OCC(=O)NCc1ccco1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1cccc(C)c14.c16ccco1.C3C2=O.O34.N25.C56 |
7342 | COc1ccc(NC(=O)C2CC2)cc1OC1CCCC1 | [C][O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][O][C][C][C][C][C][Ring1][Branch1] | c15ccc7cc16.C14CCCC1.C38=O.C18CC1.CO5.N37.O46 |
7343 | N#Cc1cnn(-c2ccc(F)cc2)c1NC(=O)C1CCCCC1 | [N][#C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] | N#Cc1cnn6c14.c16ccc(F)cc1.C15CCCCC1.C35=O.N34 |
7344 | Cc1cccc(C)c1OCC(=O)Nc1nccs1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cc1cccc(C)c14.c15nccs1.C3C2=O.O34.N25 |
7345 | Cc1cccc(C)c1OCC(=O)NCCc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c17nc2ccccc2[nH]1.Cc1cccc(C)c15.C4C3=O.C6C7.O45.N36 |
7346 | COc1ccc(-c2c(C(F)(F)F)nn(C)c2NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][C][C][C][=Ring1][#Branch2][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2] | c17c6nn(C)c15.c14ccc7cc1.C6(F)(F)F.C3(C)=O.CO4.N35 |
7347 | CC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15c(C)cccc1C.c17cccc6c1.C3(=O)C4.CC7=O.N36.O45 |
7349 | CCOC(=O)C1CCN(c2ncnc3c2cnn3C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][Ring1][S] | c16ncnc2c1cnn2C.C17CCN6CC1.C47=O.CC5.O45 |
7350 | CCOC(=O)C1CCN(c2ncnc3c(C)csc23)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=N][C][=N][C][C][Branch1][C][C][=C][S][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring1][S] | c16ncnc2c(C)csc12.C17CCN6CC1.C47=O.CC5.O45 |
7351 | CCOC(=O)C1CCN(c2ncnc3scc(C)c23)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=N][C][=N][C][S][C][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring1][S] | c16ncnc2scc(C)c12.C17CCN6CC1.C47=O.CC5.O45 |
7353 | CCCC(=O)Nc1cc(OC)c(C(=O)OC)cc1Cl | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][N][Cl] | c15cc4c6cc1Cl.CCCC3=O.C26=O.N35.O4C.O2C |
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