ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18208 | C=C(C)C1CCC(C)=C1COC(=O)c1cccnc1 | [C][=C][Branch1][C][C][C][C][C][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | C=C(C)C1CCC(C)=C1C3.c14cccnc1.C24=O.O23 |
18209 | c1ccc2c(c1)ncn2CCn1cnc2ccccc21 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c1ccc2c(c1)ncn23.n14cnc2ccccc21.C3C4 |
18211 | Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][#Branch1] | c17c(C)cccc1C.Cc1ccc6cc1.C4C3=O.S5(C)(=O)=O.N456.N37 |
18212 | Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c18cccnc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
18215 | CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(Cl)c1.c15ccccc1.CS4(=O)=O.C3C2=O.N345.N26 |
18216 | CC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1] | c18cccc6c1.c17ccccc1.C3(=O)C4.S5(C)(=O)=O.CC8=O.N457.N36 |
18218 | CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.C16CCCC1.CS4(=O)=O.C3C2=O.N345.N26 |
18219 | CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.N12CCCCC1.CS4(=O)=O.C3C2=O.N345 |
18220 | Cc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O | [C][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] | Cc1ccccc15.C16CCCCC1.C3C2=O.S4(C)(=O)=O.N345.N26 |
18221 | Cc1ccccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | Cc1ccccc16.c17ccccc1.C3C2=O.S5(C)(=O)=O.N356.N24.C47 |
18222 | CC(C)NC(=O)C(C)Sc1ccc(Cl)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.C2(=O)C4C.CC3C.N23.S45 |
18224 | Cc1sc(NC(=O)c2ccccc2)c(C(=O)NC(C)C)c1C | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring2][C] | Cc1sc6c8c1C.c17ccccc1.C37=O.C48=O.C5(C)C.N36.N45 |
18225 | O=c1c2c3c(sc2nc2n1CCCCC2)C(O)CCC3 | [O][=C][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][O][C][C][C][Ring1][P] | O=c1c2c3c(sc2nc2n1CCCCC2)C(O)CCC3 |
18226 | CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][N][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][C][C][C][C][C][Ring1][N] | c16sc2nc3n(c(=O)c2c1C)CCCCC3.C46=O.CC5.O45 |
18227 | Cc1nc2ccccc2c(=O)n1-c1cccc(Br)c1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n13.c13cccc(Br)c1 |
18228 | Cc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1nc2ccccc2c(=O)n14.c14cccc3c1.C3(F)(F)F |
18229 | Cc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2ccccc2c(=O)n13.c13cccc(Cl)c1 |
18233 | Nc1ncnc2[nH]c(SCCc3ccccc3)nc12 | [N][C][=N][C][=N][C][NH1][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=Ring1][=C] | Nc1ncnc2[nH]c6nc12.c15ccccc1.C4C5.S46 |
18234 | Cc1nc2c(Cl)cc(Cl)cc2c2nc(N)nn12 | [C][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=N][C][Branch1][C][N][=N][N][Ring1][S][Ring1][=Branch1] | Cc1nc2c(Cl)cc(Cl)cc2c2nc(N)nn12 |
18235 | CCOC(=O)c1nnsc1NC(=O)Nc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnsc16.c17ccccc1.C28=O.C34=O.CC5.O25.N36.N47 |
18236 | O=C(Nc1nccs1)c1cccc(NC(=O)c2cccs2)c1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c15nccs1.c17cccs1.O=C38.C47=O.N35.N46 |
18237 | CC(=O)NC(c1ccccc1)n1nnc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c16ccccc1.CC3=O.C456.N34 |
18238 | CS(=O)(=O)N1CN(S(C)(=O)=O)c2ccccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | N13CN4c2ccccc21.CS3(=O)=O.S4(C)(=O)=O |
18239 | COc1ccc(C(=O)NCc2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][O][C] | c14ccc7cc15.c18ccccc1Cl.C37=O.CO4.N36.C68.O5C |
18240 | CC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.C2(=O)C3C.CC5C.N25.O34 |
18241 | O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)C(=O)OC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1] | c16ccc2c(c1)C(=O)OC2.c15cccc(Cl)c1.O=C34.N35.N46 |
18242 | O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)OC2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1] | c16ccc2c(c1)C(=O)OC2.c15ccc(F)cc1.O=C34.N35.N46 |
18243 | Cc1cc(C)cc(OCC(=O)NCC2CCCO2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.C17CCCO1.C4C3=O.O45.N36.C67 |
18245 | CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 | [C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n13.c14cccc(C)c1.CS5.C34 |
18246 | Cc1cccc(Cn2c(N)nc3c2c(=O)[nH]c(=O)n3C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][C][N][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | n14c(N)nc2c1c(=O)[nH]c(=O)n2C.Cc1cccc5c1.C45 |
18247 | CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 | [C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14nc2c(c(=O)[nH]c(=O)n2C)n15.c16cccc(C)c1.CC3.N34.C56 |
18248 | CCN(CC)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15nc2c(c(=O)[nH]c(=O)n2C)n16.c17cccc(C)c1.N345.CC3.C4C.C67 |
18250 | CC(NC(=O)CSc1nc2ccc(N)cc2s1)c1ccccc1 | [C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2ccc(N)cc2s1.c16ccccc1.C3(=O)C5.CC46.N34.S57 |
18251 | Cc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 | [C][C][C][=C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][=Ring2][Ring1][Ring2] | Cc1ccn(S(=O)(=O)c2ccc4cc2)n1.N14CCCC1=O |
18252 | CCOC(=O)c1c(NC(C)=O)sc2cc(Br)ccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][=C][Ring1][#Branch1] | c17c6sc2cc(Br)ccc12.C37=O.C4(C)=O.CC5.O35.N46 |
18253 | CSc1nc2ccccc2n1C(=O)OCC(C)C | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] | c15nc2ccccc2n1C3=O.C4C(C)C.CS5.O34 |
18254 | Cc1ccc(S(=O)(=O)n2c(=O)oc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)n2c(=O)oc3ccccc32)cc1 |
18255 | COc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][C] | n15nc(C)c2c(C)cc(=O)oc21.c14ccc5cc1.CO4 |
18256 | Nc1ccc(S(=O)(=O)NC(=O)C2CCCCC2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Nc1ccc(S4(=O)=O)cc1.C15CCCCC1.C35=O.N34 |
18257 | COc1ccc(C2OC(=O)Cc3cc(OC)c(OC)cc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc(C2OC(=O)Cc3cc5c6cc32)cc17.CO4.O5C.O6C.O7C |
18259 | Cc1cccc(C)c1NC(=O)C1CC(=O)N(C2CCCCC2)C1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N] | Cc1cccc(C)c14.C15CC(=O)N6C1.C16CCCCC1.C35=O.N34 |
18260 | O=C1c2ccccc2C2=Nc3ccccc3OC12O | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][P][Ring1][#Branch2][O] | O=C1c2ccccc2C2=Nc3ccccc3OC12O |
18262 | O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccccc2)CC1 | [O][=C][Branch1][S][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | c15cc(F)c(F)cc1Cl.N13CCN4CC1.c14ccccc1.O=C35 |
18263 | COc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | N5(C)C1=NS(=O)(=O)c2ccccc21.c14ccc5cc1.CO4 |
18264 | Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][S] | Cc1cc(C)n(S(=O)(=O)c2ccc(Br)cc2)n1 |
18265 | Cc1ccccc1Nc1nc2nonc2nc1N1CCOCC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13nc2nonc2nc14.Cc1ccccc15.N14CCOCC1.N35 |
18266 | COc1cc(C(=O)n2c(C)nc3ccccc32)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | C7(=O)n1c(C)nc2ccccc21.c14cc7cc5c16.CO4.O5C.O6C |
18267 | Cc1cccc(Nc2nc3nonc3n3nnnc23)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][N][=C][Ring1][N][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C] | c14nc2nonc2n2nnnc12.Cc1cccc5c1C.N45 |
18271 | Cc1ccc(N2CC(C(=O)OCC(=O)c3ccccc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] | Cc1ccc8cc1.N18CC6CC1=O.c17ccccc1.C5C7=O.C46=O.O45 |
18272 | CC(=O)Nc1cc(-c2ccc(C)cc2)nn1Cc1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc7nn15.c17ccc(C)cc1.c16ccccc1.CC3=O.N34.C56 |
18273 | CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c19ccc2c(c1)OCO2.c18ccc7cc1.C48=O.C59=O.CC6.O46.N57 |
18274 | O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(F)cc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(F)cc1.c14ccc(Cl)cc1.N23.C24 |
18276 | Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][P] | Cc1cc(C)n(C(=O)C3)n1.c14ccc(Cl)cc1.O34 |
18277 | O=C(CCc1ccccc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15ccccc1.O=C3CC5.N34 |
18278 | O=C(COc1ccc2ccccc2c1)NCc1ccncc1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccc2ccccc2c1.c17ccncc1.O=C3C4.O45.N36.C67 |
18281 | Cc1cc(C)n(CC(O)COc2cccc3ccccc23)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | c15cccc2ccccc12.Cc1cc(C)n6n1.C6C(O)C4.O45 |
18282 | CCNc1nc(NCC)nc(-n2nc(C)cc2C)n1 | [C][C][N][C][=N][C][Branch1][Ring2][N][C][C][=N][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring1][S] | c15nc6nc7n1.n17nc(C)cc1C.CC3.N35.N46.C4C |
18284 | CC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1.C4(=O)CC7.CC3=O.N35.N46 |
18285 | COc1ccc(CCNC(=O)Cc2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17cccs1.C3(=O)C7.C8C6.CO4.N36.O5C |
18286 | COc1cc2c(cc1OC)-c1nnc(C)n1C(C)(C)C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][S] | c13cc2c(cc14)-c1nnc(C)n1C(C)(C)C2.CO3.O4C |
18287 | Cc1cc(Cl)ccc1OC(C)C(=O)N1CCOCC1 | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1cc(Cl)ccc14.N12CCOCC1.C3(C)C2=O.O34 |
18288 | COc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c17cccc2cccnc12.c15ccc8cc16.C48=O.CO5.N47.O6C |
18289 | O=C(CCC(=O)OCC1CCCO1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=C3CCC2=O.c15ccc(Cl)cc1.C16CCCO1.O24.C46.N35 |
18291 | O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccco1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6cc1.c18ccccc1F.c17ccco1.O=C37.C48=O.N35.N46 |
18293 | Cc1cccc(C(=O)NCC(O)c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c16ccccc1.C4C6O.C35=O.N34 |
18296 | Cc1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c(S5(=O)=O)c1.c16ccc2c(c1)OCO2.N45.C46 |
18298 | COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c12ccc(Cl)cc1S4(=O)=O.c15ccccn1.CO2.N34.C35 |
18299 | Cc1nc2ccccc2n1C(=O)c1ccc(F)cc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1nc2ccccc2n1C3=O.c13ccc(F)cc1 |
18301 | Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2)n1 | [C][C][C][=C][Branch1][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][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2ccc(C)c(C)c2)n1 |
18303 | Cc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][S] | Cc1ccc(S3(=O)=O)c(C)c1.N13CCCCC1 |
18304 | Cc1ccc(S(=O)(=O)NCc2cccnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc(S4(=O)=O)c(C)c1.c15cccnc1.N34.C35 |
18307 | O=C(c1ccccc1Br)N1CCCC1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][C][Ring1][Branch1] | c13ccccc1Br.N12CCCC1.O=C23 |
18308 | Nc1cccc(C(=O)OCC(=O)c2ccc(Br)cc2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | Nc1cccc5c1.c16ccc(Br)cc1.C4C6=O.C35=O.O34 |
18309 | COc1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S6(=O)=O)c1.c17ccccn1.CO3.O4C.N56.C57 |
18310 | COc1ccc(OC)c(S(=O)(=O)NCc2ccncc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S6(=O)=O)c1.c17ccncc1.CO3.O4C.N56.C57 |
18311 | O=S(=O)(Nc1ccccn1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S2(=O)c1ccc(Br)cc1.c13ccccn1.N23 |
18313 | CCOc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1 | [C][C][O][C][=C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2cc(S7(=O)=O)ccc2c1.c18cccnc1.CC4.O45.N67.C68 |
18314 | Cc1ccc(S(=O)(=O)N2CCOCC2)c(C)c1 | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][S] | Cc1ccc(S3(=O)=O)c(C)c1.N13CCOCC1 |
18315 | CCOc1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2c1 | [C][C][O][C][=C][C][=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][=C][Ring2][Ring1][Ring1] | c15ccc2cc(S6(=O)=O)ccc2c1.N16CCOCC1.CC4.O45 |
18316 | CCOc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1 | [C][C][O][C][=C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1.CC4.O45 |
18317 | CCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1 | [C][C][O][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1.CC4.O45 |
18318 | Cc1cc(=NS(=O)(=O)c2ccccc2Cl)cc(C)o1 | [C][C][=C][C][=Branch2][Ring1][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Branch1][C][C][O][Ring2][Ring1][C] | Cc1cc(=NS(=O)(=O)c2ccccc2Cl)cc(C)o1 |
18319 | N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCC(N)=O | [N][#C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][#C][S][C][C][Branch1][C][N][=O] | N#Cc1c4cc6nc15.c16cccs1.C4(F)(F)F.C3C(N)=O.S35 |
18320 | Cn1cc(Cl)c(C(=O)Nc2c(Cl)cccc2Cl)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | c14c(Cl)cccc1Cl.Cn1cc(Cl)c5n1.C35=O.N34 |
18321 | CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc2c(c1)OCCO2.c16ccc8cc1.C48=O.CC5.O56.N47 |
18322 | CC(C)(C)C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.CC(C)(C)C3=O |
18323 | CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | c16ccc3cc1.c14ccccc1.CS5(=O)=O.N56.O34 |
18325 | Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][C] | c17ccc2c(c1)OCCO2.Cc1ccc6cc1C.C5C4=O.O56.N47 |
18327 | CN(C)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S4(=O)(=O)c1ccccc1.c16ccc5cc1.CN3C.C36=O.N45C |
18328 | CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | S6(=O)(=O)c1ccccc1.c18ccc7cc1.N345.C38=O.N67C.CC4.C5C |
18329 | O=C(CC(O)C(Cl)(Cl)Cl)c1ccccc1 | [O][=C][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2CC(O)C(Cl)(Cl)Cl.c12ccccc1 |
18330 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccncc1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1] | C3(O)C(Cl)(Cl)Cl.c14ccncc1.O=C24.N23 |
18331 | CC(=O)NC(C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1.CC2=O.N23 |
18332 | COC(C)(C)CNS(=O)(=O)c1ccc(C)cc1 | [C][O][C][Branch1][C][C][Branch1][C][C][C][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.C2(C)(C)C3.CO2.N34 |
18333 | O=C(NCS(=O)(=O)c1ccccc1)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N2CS(=O)(=O)c1ccccc1.c13ccccc1.O=C23 |
18334 | CC(C)(Cl)CNS(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][Branch1][C][Cl][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.CC(C)(Cl)C2.N23 |
18336 | Cc1ccc(S(=O)(=O)NCC(C)(C)Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][Cl][C][=C][Ring1][#C] | Cc1ccc(S3(=O)=O)cc1.C2C(C)(C)Cl.N23 |
18338 | CC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)NC(=O)N1C | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C] | CC1=C(C4=O)C6NC(=O)N1C.c16ccc2c(c1)OCO2.C5(C)C.O45 |
18339 | CCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCOCC1.CCC4 |
18340 | Cc1sc(NC(=O)C(C)C)c(C(=O)Nc2ccccc2)c1C | [C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][Ring2][C] | Cc1sc5c7c1C.c16ccccc1.C3(=O)C(C)C.C47=O.N35.N46 |
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