ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
4233 | CN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=N][C][=C][C][=N][N][Ring1][Branch1][C][Ring1][=Branch2][=C][Ring1][=N] | c16ccc2nnc3ccnn3c2c1.CN5C.C45=O.O46 |
4234 | COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | c13ccc(S4(=O)=O)c(C)c1C.N14CCC5CC1.C5(N)=O.CO3 |
4236 | Cc1ccn(S(=O)(=O)c2ccc(C)c(C)c2C)n1 | [C][C][C][=C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][=Ring1][P] | Cc1ccn(S(=O)(=O)c2ccc(C)c(C)c2C)n1 |
4237 | Cc1cc(Cl)ccc1OCc1cn2cccnc2n1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c15cn2cccnc2n1.Cc1cc(Cl)ccc14.O34.C35 |
4238 | Cc1ccn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 | [C][C][C][=C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][C] | Cc1ccn(S(=O)(=O)c2ccc3cc2)n1.C3(C)(C)C |
4239 | FC(F)(F)c1cccc(NCc2cn3cccnc3n2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][S][N][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][P] | c16cn2cccnc2n1.c17cccc5c1.FC7(F)F.N45.C46 |
4240 | O=S1(=O)N=C(NCC(O)COc2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][P][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=S1(=O)N=C(N5)c2ccccc21.c14ccccc1.C5C(O)C3.O34 |
4241 | c1ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c1ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc1 |
4242 | c1ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c1ccc(C2=Nc3ncnn3C(c3cccs3)C2)cc1 |
4243 | Cc1ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc1 |
4244 | COc1ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc(C2=Nc3ncnn3C(c3ccco3)C2)cc15.CO4.O5C |
4245 | COc1cc(S(=O)(=O)N2CCOCC2)ccc1F | [C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][F] | c13cc(S4(=O)=O)ccc1F.N14CCOCC1.CO3 |
4246 | COc1cc(S(=O)(=O)NCc2ccccc2)ccc1F | [C][O][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][F] | c13cc(S5(=O)=O)ccc1F.c16ccccc1.CO3.N45.C46 |
4248 | COc1cc(C2CC(=O)Nc3ccc4ccccc4c32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][O] | c15cc(C2CC(=O)Nc3ccc4ccccc4c32)ccc1O.CO5 |
4249 | COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c12cc(C)c(Cl)c(C)c1S3(=O)=O.N13CC(C)OC(C)C1.CO2 |
4250 | CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][N][Ring1][Branch2] | c15c(C)[nH]c2cc(Br)c(O)cc12.C35=O.CC4.O34 |
4251 | O=C1CC(c2cccc(O)c2)c2c(ccc3ccccc23)N1 | [O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][Branch1] | O=C1CC(c2cccc(O)c2)c2c(ccc3ccccc23)N1 |
4252 | Cn1c(=O)c2c(nc(-n3ccnc3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][N][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][Ring1][#Branch2][C][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.n14ccnc1 |
4255 | O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NC1CC1 | [O][=C][Branch2][Ring1][=N][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Ring1][Ring1] | S5(=O)(=O)c1ccccc1.c17ccccc1.O=C2C3.N345.C16CC1.C47.N26 |
4256 | CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc6ccc1Cl.C2(=O)C3.C6(F)(F)F.S4(C)(=O)=O.N345.CN2 |
4257 | CC(C(=O)Nc1cccnc1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccnc1.c16ccccc1.CC3C2=O.S4(C)(=O)=O.N346.N25 |
4258 | Cc1ccc(C(=O)Nc2nccc(-c3ccc4c(c3)OCCO4)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch2] | c18ccc2c(c1)OCCO2.Cc1ccc7cc1.c16nccc8n1.C57=O.N56 |
4259 | COc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.c17cccnc1.C4C2=O.S5(C)(=O)=O.N456.CO3.N27 |
4260 | Cc1cccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2][C] | Cc1cccc6c1C.C17CCCC1.C4C3=O.S5(C)(=O)=O.N456.N37 |
4261 | CCc1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc15.c16ccccc1.C2(=O)C3C.S4(C)(=O)=O.N346.CC7.N25 |
4263 | COc1ccccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.N12CCCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3 |
4264 | CC(C(=O)NCc1ccccn1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccn1.c16ccccc1.CC3C2=O.S5(C)(=O)=O.N356.N24.C47 |
4265 | CCOc1ccc(N(C(C)C(=O)NC2CC2)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.C6(C)C3=O.S7(C)(=O)=O.N678.C19CC1.CC4.O45.N39 |
4266 | Cc1ccc(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc6cc1C.c17ccccc1.C3(=O)C4C.S5(C)(=O)=O.N457.N36 |
4268 | Cc1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc7c1C.c18ccccc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
4270 | CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C | [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] | c16nc2c(c(=O)n(C)c(=O)n2C)n1C.C3(=O)C5.CC4.O34.S56 |
4271 | CC(C(=O)NCc1ccccc1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccccc1.c16ccccc1.CC3C2=O.S5(C)(=O)=O.N356.N24.C47 |
4272 | CNC(=O)CN(c1ccccc1OC)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccccc13.C2(=O)C4.S5(C)(=O)=O.N456.CN2.O3C |
4273 | CC(C(=O)NC1CC2CCC1C2)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | C17CC2CCC1C2.c16ccccc1.CC4C3=O.S5(C)(=O)=O.N456.N37 |
4275 | COC(=O)C1OC2(CCCCC2)OC1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C] | C15OC2(CCCCC2)OC16.C35=O.C46=O.CO3.O4C |
4276 | CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15cccc(C)c1C.C2(=O)C3.N345.CN2 |
4277 | CC(C(=O)Nc1ccccc1F)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1F.c16ccccc1.CC3C2=O.S4(C)(=O)=O.N346.N25 |
4278 | Cc1cccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1][C] | Cc1cccc6c1C.c17ccccc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
4280 | Cc1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1][C] | Cc1cccc6c1C.c17cccnc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
4281 | CNC(=O)C(C)N(c1ccccc1)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccccc1.C2(=O)C3C.S4(C)(=O)=O.N345.CN2 |
4282 | Cc1cc(C)cc(NC(=O)C(C)N(c2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | Cc1cc6cc(C)c1.c17ccccc1.C3(=O)C4C.S5(C)(=O)=O.N457.N36 |
4283 | CC(C(=O)Nc1ccc(F)cc1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc(F)cc1.c16ccccc1.CC3C2=O.S4(C)(=O)=O.N346.N25 |
4284 | Cc1cccc(C)c1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cccc(C)c15.c16ccccc1.C2(=O)C3C.S4(C)(=O)=O.N346.N25 |
4288 | COc1ccc(C(CC#N)C2CCOC(C)(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][Ring2][C][C][#N][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | C14CCOC(C)(C)C1.c13ccc5cc1.C45CC#N.CO3 |
4291 | O=C(c1ccccc1F)N1CCN(c2nc3ccccc3s2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2s1.c16ccccc1F.N14CCN5CC1.O=C46 |
4293 | COc1cccc(C2CC(=O)Nc3cc(C)c(C)cc32)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][O][C] | c14cccc(C2CC(=O)Nc3cc(C)c(C)cc32)c15.CO4.O5C |
4295 | CCOC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(C)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c16c(C)csc15.C26=O.CC3.O23.N45 |
4297 | Cc1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc15.c16ccccc1.C2(=O)C3C.S4(C)(=O)=O.N346.N25 |
4298 | COc1ccc(N(C)C(=O)C2COc3ccccc3O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | C17COc2ccccc2O1.c15ccc6cc1.N46C.C47=O.CO5 |
4300 | Cc1csc(NC(=O)CSc2ccc(Cl)cc2)c1C(N)=O | [C][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P][C][Branch1][C][N][=O] | Cc1csc5c16.c17ccc(Cl)cc1.C3(=O)C4.C6(N)=O.N35.S47 |
4301 | COc1ccccc1N(CC(=O)NC1CC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.C4C2=O.S5(C)(=O)=O.N456.C17CC1.CO3.N27 |
4302 | CNC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cccc(C)c1C.C2(=O)C3.S4(C)(=O)=O.N345.CN2 |
4305 | CC(C(=O)NCc1cccnc1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c17cccnc1.c16ccccc1.CC3C2=O.S5(C)(=O)=O.N356.N24.C47 |
4307 | CCOC(=O)c1cn(-c2ccc(N3CCC(C)CC3)nn2)nc1N | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=N][Ring1][=N][N][=C][Ring2][Ring1][C][N] | c17cn8nc1N.c18ccc6nn1.N16CCC(C)CC1.C47=O.CC5.O45 |
4308 | CC(C(=O)N1CCOCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | N12CCOCC1.c15ccccc1.CC3C2=O.S4(C)(=O)=O.N345 |
4309 | CCOC(=O)c1c(C)csc1NC(=O)c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c17c(C)csc15.c16cccs1.C27=O.C36=O.CC4.O24.N35 |
4310 | CCOc1ccc(N(C(C)C(=O)NC)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][P] | c14ccc7cc1.C5(C)C2=O.S6(C)(=O)=O.N567.CC3.O34.N2C |
4311 | Clc1ccc(-c2nnc(N3CCOCC3)o2)cc1Cl | [Cl][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][Cl] | Clc1ccc5cc1Cl.c15nnc4o1.N14CCOCC1 |
4312 | Cc1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Ring2][C] | Cc1cccc6c1C.N13CCCCC1.C4C3=O.S5(C)(=O)=O.N456 |
4314 | COc1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.c17ccccc1.C4C2=O.S5(C)(=O)=O.N456.CO3.N27 |
4315 | CC(C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O | [C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | C16CCCCC1.c15ccccc1.CC3C2=O.S4(C)(=O)=O.N345.N26 |
4322 | CCOc1ccc(N(C(C)C(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.C6(C)C3=O.N13CCCC1.S7(C)(=O)=O.N678.CC4.O45 |
4323 | COc1ccccc1N(CC(=O)NC1CCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.C17CCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3.N27 |
4324 | COc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc16.C17CCCCC1.C4C2=O.S5(C)(=O)=O.N456.CO3.N27 |
4325 | CC(C)(C)NC(=O)COc1ccc(Br)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CC5(C)C.C2(=O)C3.N25.O34 |
4327 | CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c19ccc7c8c1.N14CCN5CC1.C34=O.C59=O.CC6.O36.O7C.O8C |
4328 | COC(=O)c1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2[nH]1.c18cccc7c1.C5(=O)C6.C48=O.CO4.N57.S69 |
4329 | COc1ccc(-c2nc(-c3cccnc3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc6cc15.c16nc7no1.c17cccnc1.CO4.O5C |
4332 | CSc1cc(-c2ccncc2)nc(-c2cccs2)c1 | [C][S][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][P] | c13cc4nc5c1.c15ccncc1.c14cccs1.CS3 |
4333 | CCOC(=O)CSc1nc2cccnc2s1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2cccnc2s1.C3(=O)C5.CC4.O34.S56 |
4334 | Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1onc6c15.c16ccccc1Cl.c14cccnc1.C35=O.N34 |
4336 | c1coc(C2CC(c3cccs3)Nc3ncnn32)c1 | [C][=C][O][C][Branch2][Ring1][#Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=C][=C][Ring2][Ring1][Ring1] | c1coc(C2CC4Nc3ncnn32)c1.c14cccs1 |
4337 | CC(C)N(C(=O)Cn1c(CO)nc2ccccc21)c1ccccc1 | [C][C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c7nc2ccccc21.c15ccccc1.C3(=O)C6.CC4C.N345.C7O |
4338 | O=C(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2s1.N14CCN5CC1.c16ccccc1.O=C46 |
4339 | Cc1ccc2oc(-c3cccc(NC(=O)c4nc[nH]n4)c3)nc2c1 | [C][C][=C][C][=C][O][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][=C][NH1][N][=Ring1][Branch1][=C][Ring1][=C][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2oc8nc2c1.c18cccc6c1.c17nc[nH]n1.C57=O.N56 |
4340 | CC(=O)Oc1cc(=O)n(-c2ccccc2)c2ccccc12 | [C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14cc(=O)n5c2ccccc12.c15ccccc1.CC3=O.O34 |
4341 | Nc1nnc(CS(=O)(=O)c2ccc(Cl)cc2)o1 | [N][C][=N][N][=C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][S] | C3S(=O)(=O)c1ccc(Cl)cc1.Nc1nnc3o1 |
4342 | CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Ring1][=Branch2][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c17c6sc2c1CCC(C)C2.C37=O.C4(C)=O.CC5.O35.N46 |
4343 | O=c1[nH]nc(S(=O)(=O)Nc2ccccc2)c(=O)[nH]1 | [O][=C][NH1][N][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][P] | O=c1[nH]nc(S3(=O)=O)c(=O)[nH]1.c14ccccc1.N34 |
4344 | CCOC(=O)COc1cccc2c(C)cc(=O)oc12 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][N][=Ring1][Branch2] | c16cccc2c(C)cc(=O)oc12.C3(=O)C5.CC4.O34.O56 |
4345 | CCOC(=O)c1cnn(C(=O)COc2ccc(C)c3c2CCC3)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][=Ring2][Ring1][Ring1][N] | c18cnn(C(=O)C6)c1N.c17ccc(C)c2c1CCC2.C48=O.CC5.O45.O67 |
4346 | COc1ccc(OC)c(C(C)=O)c1OCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc4c6c15.c17ccccc1.C6(C)=O.CO3.O4C.O25.C27 |
4348 | Cc1cc(C)nc(SCc2cn3c(C)csc3n2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][S][C][C][=C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][Ring2][Ring1][C] | c15cn2c(C)csc2n1.Cc1cc(C)nc6n1.S46.C45 |
4349 | CCCN1CCOC(CC(=O)Nc2ccccc2)C1=O | [C][C][C][N][C][C][O][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | N15CCOC6C1=O.c14ccccc1.C6C3=O.CCC5.N34 |
4351 | CCOc1cc(C=C2OC(=O)c3c2cc(C)[nH]c3=O)ccc1O | [C][C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring2][Ring1][Ring1][O] | C1=6OC(=O)c2c1cc(C)[nH]c2=O.c15cc(C=6)ccc1O.CC4.O45 |
4352 | Brc1cccc(-c2cn3c(n2)CCC3)c1 | [Br][C][=C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][=C] | c14cn2c(n1)CCC2.Brc1cccc4c1 |
4353 | Cc1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 | [C][C][=C][S][C][Branch2][Ring1][=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][=N][Ring2][Ring1][=Branch1] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1csc5n1.C4(=O)C6.N45 |
4356 | CCOC(=O)c1c(C)[nH]c(-c2csc(C)n2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N][C] | c15c(C)[nH]c6c1C.c16csc(C)n1.C35=O.CC4.O34 |
4357 | CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.CC(C)CC3=O.c15ncccn1.N36.N45 |
4358 | CCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | [C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.CCC(C)C3=O.c15ncccn1.N36.N45 |
4359 | CCc1nnc2c3c4c(sc3nc(CC)n12)CCCC4 | [C][C][C][=N][N][=C][C][C][=C][Branch1][S][S][C][=Ring1][Branch1][N][=C][Branch1][Ring1][C][C][N][Ring1][=C][Ring1][O][C][C][C][C][Ring1][=N] | c15nnc2c3c4c(sc3nc6n12)CCCC4.CC5.C6C |
4361 | Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1cccc5c1.N45 |
4362 | Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccn1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16ccccn1.C35=O.N34.C46 |
4363 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1ccc5c(C)c1.N45 |
4365 | COC(=O)C1=C(C)NC(=O)CC1c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)CC14.c14ccc3cc1.CO2.O3C |
4366 | COC(=O)CNC(=O)c1c(-c2ccccc2)noc1C | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c16c7noc1C.c17ccccc1.C3(=O)C5.C46=O.CO3.N45 |
4369 | Cc1onc(-c2ccccc2)c1C(=O)NCc1cccnc1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1onc7c15.c17ccccc1.c16cccnc1.C35=O.N34.C46 |
4370 | Cc1nc(N2CCCC2)c2c3c(sc2n1)CCCC3 | [C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][=C][C][C][C][C][Ring1][=Branch2] | Cc1nc4c2c3c(sc2n1)CCCC3.N14CCCC1 |
4371 | COc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c14ccccc15.c16c7noc1C.c17ccccc1.C36=O.CO4.N35 |
4373 | Cc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)OC(C)C1.Cc1onc5c14.c15ccccc1.C34=O |
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