ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931172 | Brc1ccnc2ccn(-c3ccccn3)c12 | [Br][C][=C][C][=N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#C][=Ring1][O] | Brc1ccnc2ccn4c12.c14ccccn1 |
1931173 | Brc1ccnc2ccn(-c3ccon3)c12 | [Br][C][=C][C][=N][C][C][=C][N][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][=C][=Ring1][#Branch2] | Brc1ccnc2ccn4c12.c14ccon1 |
1931174 | Cc1cc(-n2ccc3nccc(Br)c32)no1 | [C][C][=C][C][Branch1][P][N][C][=C][C][=N][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Ring1][#Branch2][=N][O][Ring1][#C] | n14ccc2nccc(Br)c21.Cc1cc4no1 |
1931175 | CS(=O)(=O)c1ccc(C(=O)Cc2cccnc2)o1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=C] | CS(=O)(=O)c1ccc3o1.c14cccnc1.C3(=O)C4 |
1931176 | CS(=O)(=O)c1ccc(C(=O)c2cccnc2)o1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][=N] | CS(=O)(=O)c1ccc3o1.c14cccnc1.C34=O |
1931177 | Nc1c[nH]c(C(=O)c2ccc(Br)cc2)c1 | [N][C][=C][NH1][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][=C] | c14ccc(Br)cc1.Nc1c[nH]c3c1.C34=O |
1931178 | Nc1c[nH]c(C(=O)c2cccc(Br)c2)c1 | [N][C][=C][NH1][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][=C] | c14cccc(Br)c1.Nc1c[nH]c3c1.C34=O |
1931179 | Nc1c[nH]c(C(=O)c2ccccc2Br)c1 | [N][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Ring1][=C] | c14ccccc1Br.Nc1c[nH]c3c1.C34=O |
1931180 | Cn1cc(N)cc1C(=O)c1ccc(Br)cc1 | [C][N][C][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cn1cc(N)cc12.c13ccc(Br)cc1.C23=O |
1931181 | Cn1cc(N)cc1C(=O)c1cccc(Br)c1 | [C][N][C][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cn1cc(N)cc12.c13cccc(Br)c1.C23=O |
1931182 | Cn1cc(N)cc1C(=O)c1ccccc1Br | [C][N][C][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cn1cc(N)cc12.c13ccccc1Br.C23=O |
1931183 | CC(=O)c1cnc(C2CCCC2)n1Cc1ccccc1 | [C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cnc6n14.c15ccccc1.C16CCCC1.CC3=O.C45 |
1931184 | Brc1csc2snc(C3CC3)c12 | [Br][C][=C][S][C][S][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][O][=Ring1][Branch2] | Brc1csc2snc4c12.C14CC1 |
1931185 | Brc1csc2snc(-c3cn[nH]c3)c12 | [Br][C][=C][S][C][S][N][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring1][=N][=Ring1][#Branch2] | Brc1csc2snc4c12.c14cn[nH]c1 |
1931186 | C=CCN(CC=C)C(=O)COc1cccc2ccc(C)nc12 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1] | c15cccc2ccc(C)nc12.C3(=O)C4.C=CC6.N367.C7C=C.O45 |
1931187 | COC(=O)c1cc(CSc2ccccc2F)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=Ring1][=C][C] | c15cc6oc1C.c17ccccc1F.C35=O.CO3.C46.S47 |
1931188 | CC1CCN(C(=O)CSc2ccc3c(c2)OCCCO3)CC1 | [C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][C][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCCO2.CC1CCN4CC1.C4(=O)C5.S56 |
1931189 | Cc1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16nnc2ccccn12.C4C6.N45 |
1931190 | CC(=O)c1cccc(S(=O)(=O)NCCc2nnc3ccccn23)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c16cccc(S5(=O)=O)c1.c17nnc2ccccn12.CC6=O.C4C7.N45 |
1931191 | Cc1cc(S(=O)(=O)NCCc2nnc3ccccn23)c(C)s1 | [C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][S][Ring2][Ring1][Branch1] | Cc1cc(S5(=O)=O)c(C)s1.c16nnc2ccccn12.C4C6.N45 |
1931192 | Cc1csc(=O)n1CC(=O)Nc1c(F)cccc1F | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c13c(F)cccc1F.Cc1csc(=O)n14.C4C2=O.N23 |
1931193 | Brc1cc(-c2ccncc2)cc2[nH]nnc12 | [Br][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][NH1][N][=N][C][Ring1][#C][=Ring1][Branch1] | Brc1cc3cc2[nH]nnc12.c13ccncc1 |
1931194 | Cc1csc(=O)n1CC(=O)Nc1cc(Cl)ccc1N(C)C | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C] | c13cc(Cl)ccc14.Cc1csc(=O)n15.C5C2=O.N4(C)C.N23 |
1931195 | CC(NC(=O)COc1ccccc1O)c1cc2ccccc2o1 | [C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c17cc2ccccc2o1.c15ccccc1O.C3(=O)C4.CC67.N36.O45 |
1931197 | Brc1cccc2[nH]nc(-c3ccncc3)c12 | [Br][C][=C][C][=C][C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#C][=Ring1][O] | Brc1cccc2[nH]nc4c12.c14ccncc1 |
1931198 | Brc1cccc(-c2cnc3ccnn3c2)c1 | [Br][C][=C][C][=C][C][Branch1][=C][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring1][#C] | c14cnc2ccnn2c1.Brc1cccc4c1 |
1931200 | Brc1ccc(-c2cnc3ccnn3c2)cc1 | [Br][C][=C][C][=C][Branch1][=C][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][Ring1][#C] | c14cnc2ccnn2c1.Brc1ccc4cc1 |
1931201 | Cc1cc(-c2ccccc2Br)c(C#N)cn1 | [C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][Branch1][Ring1][C][#N][C][=N][Ring1][#C] | Cc1cc3c(C#N)cn1.c13ccccc1Br |
1931202 | Fc1ccc(F)c(-c2cnncc2Br)c1 | [F][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][=C][Ring1][=C] | Fc1ccc(F)c3c1.c13cnncc1Br |
1931203 | Cc1nscc1-c1cn(Cc2ccccc2)cc1N | [C][C][=N][S][C][=C][Ring1][Branch1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N] | c15cn3cc1N.Cc1nscc15.c14ccccc1.C34 |
1931205 | CCN(C(=O)Cn1c(C)csc1=O)c1ccc(F)cc1 | [C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15c(C)csc1=O.c14ccc(F)cc1.C2(=O)C5.N234.CC3 |
1931206 | O=C(COc1ccccc1O)NCCc1nc2ccccc2s1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.c15ccccc1O.O=C3C4.C6C7.O45.N36 |
1931207 | Cc1n[nH]c(C)c1NC(=O)Cn1cnc2ccccc2c1=O | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n15cnc2ccccc2c1=O.Cc1n[nH]c(C)c14.C3(=O)C5.N34 |
1931208 | Cn1cc(COC(=O)c2ccc3c(c2)CCCC3)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring1] | c16ccc2c(c1)CCCC2.Cn1cc7cn1.C46=O.C57.O45 |
1931209 | CC(C)(C)OC(=O)N1Cc2cc(N)c(Cl)cc2C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][O] | N14Cc2cc(N)c(Cl)cc2C1.CC5(C)C.C34=O.O35 |
1931210 | CC(=O)C(C)c1nc2cc(Br)ccc2o1 | [C][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c13nc2cc(Br)ccc2o1.CC(=O)C3C |
1931211 | CC(=O)c1nc(S(C)(=O)=O)cc2c1CCCCC2 | [C][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][#Branch1] | c13nc(S(C)(=O)=O)cc2c1CCCCC2.CC3=O |
1931212 | CCc1cn(-c2cccc(Br)c2)c(=O)[nH]1 | [C][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=N] | c13cn4c(=O)[nH]1.c14cccc(Br)c1.CC3 |
1931213 | CCc1cn(-c2ccccc2Br)c(=O)[nH]1 | [C][C][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][NH1][Ring1][=N] | c13cn4c(=O)[nH]1.c14ccccc1Br.CC3 |
1931214 | CCc1cn(-c2ccc(Br)cc2)c(=O)[nH]1 | [C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=N] | c13cn4c(=O)[nH]1.c14ccc(Br)cc1.CC3 |
1931215 | O=C1OC(CC2CC2)c2ccc(Br)cc21 | [O][=C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=C] | O=C1OC(C3)c2ccc(Br)cc21.C13CC1 |
1931216 | O=C1OC(CC2CC2)c2cc(Br)ccc21 | [O][=C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][=C] | O=C1OC(C3)c2cc(Br)ccc21.C13CC1 |
1931217 | O=C1OC(CC2CC2)c2c(Br)cccc21 | [O][=C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring1][=C] | O=C1OC(C3)c2c(Br)cccc21.C13CC1 |
1931218 | Cc1cc(-c2cnncc2Br)ccc1F | [C][C][=C][C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][=C][C][=C][Ring1][=N][F] | Cc1cc3ccc1F.c13cnncc1Br |
1931219 | Cc1cnc2c(Br)c(CC3CC3)nn2c1 | [C][C][C][=N][C][=C][Branch1][C][Br][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][N][Ring1][#Branch2][C][=Ring1][=C] | Cc1cnc2c(Br)c4nn2c1.C15CC1.C45 |
1931220 | Cc1nn2cc(CC3CC3)cnc2c1Br | [C][C][=N][N][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][Ring1][#Branch2][=C][Ring1][=N][Br] | Cc1nn2cc5cnc2c1Br.C14CC1.C45 |
1931221 | Cn1cc(Br)c2cc3c(cc21)OCCC3 | [C][N][C][=C][Branch1][C][Br][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][C][Ring1][Branch2] | Cn1cc(Br)c2cc3c(cc21)OCCC3 |
1931222 | CC(=O)c1cnc2n1CCN(C(=O)OC(C)(C)C)C2 | [C][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N] | c16cnc2n1CCN4C2.C5(C)(C)C.CC6=O.C34=O.O35 |
1931223 | CS(=O)(=O)c1coc(C(=O)Cc2cccnc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][O][C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C] | CS(=O)(=O)c1coc3c1.c14cccnc1.C3(=O)C4 |
1931224 | COc1ccc(-c2cnncc2Br)cc1 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N] | c13ccc4cc1.c14cnncc1Br.CO3 |
1931225 | Brc1ccc2nnc(-c3cnco3)n2c1 | [Br][C][C][=C][C][=N][N][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=Ring1][=C] | Brc1ccc2nnc4n2c1.c14cnco1 |
1931226 | Cc1cncnc1-c1cn(Cc2ccccc2)cc1N | [C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N] | Cc1cncnc15.c15cn3cc1N.c14ccccc1.C34 |
1931227 | Brc1ccccc1C1NCc2n[nH]cc21 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][=N][NH1][C][=C][Ring1][Branch1][Ring1][Branch2] | Brc1ccccc1C1NCc2n[nH]cc21 |
1931229 | Brc1ccc2c(c1)CC(c1cocn1)C2 | [Br][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][O][C][=N][Ring1][Branch1][C][Ring1][O] | Brc1ccc2c(c1)CC3C2.c13cocn1 |
1931230 | Brc1cccc2c1CC(c1cocn1)C2 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][O][C][=N][Ring1][Branch1][C][Ring1][#Branch2] | Brc1cccc2c1CC3C2.c13cocn1 |
1931233 | Cn1c2c(c(=O)c3ccccc31)S(=O)(=O)CCC2 | [C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][S] | Cn1c2c(c(=O)c3ccccc31)S(=O)(=O)CCC2 |
1931234 | COc1ccc(C)cc1C(C)NC(=O)Cc1ccc(O)cc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccc(C)cc15.c16ccc(O)cc1.C2(=O)C6.C45C.CO3.N24 |
1931235 | Cc1ccc(Br)cc1-c1ccnc(N)c1 | [C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1] | Cc1ccc(Br)cc12.c12ccnc(N)c1 |
1931236 | Cc1ccc(Br)cc1-c1ccncc1N | [C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N] | Cc1ccc(Br)cc12.c12ccncc1N |
1931237 | Cc1ccc(-c2ccncc2N)cc1Br | [C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][Ring1][=N][Br] | Cc1ccc3cc1Br.c13ccncc1N |
1931238 | Cc1ccc(-c2cnncc2Br)cc1C | [C][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N][C] | Cc1ccc3cc1C.c13cnncc1Br |
1931239 | Cc1ccc(-c2ccnc(N)c2)cc1Br | [C][C][=C][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring1][=N][Br] | Cc1ccc3cc1Br.c13ccnc(N)c1 |
1931240 | Brc1c[nH]c2nc(-c3ccc[nH]3)ncc12 | [Br][C][=C][NH1][C][=N][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=N][C][=C][Ring1][=C][Ring1][O] | Brc1c[nH]c2nc4ncc12.c14ccc[nH]1 |
1931241 | COc1ccc(C(NC(=O)Cc2ccc(O)cc2)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | c14ccc6cc1.c17ccc(O)cc1.C56C(C)C.C3(=O)C7.CO4.N35 |
1931242 | COc1n[nH]c(C2CCCCC2)c1Br | [C][O][C][=N][NH1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][O][Br] | c13n[nH]c4c1Br.C14CCCCC1.CO3 |
1931243 | O=C(c1ccc[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N13CCN6CC1.c15ccc(Cl)cc1.c17ccc[nH]1.O=C37.C6C4.O45 |
1931244 | N#Cc1cnccc1-c1ccccc1Br | [N][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | N#Cc1cnccc12.c12ccccc1Br |
1931245 | N#Cc1cnccc1-c1ccc(Br)cc1 | [N][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | N#Cc1cnccc12.c12ccc(Br)cc1 |
1931246 | N#Cc1cnccc1-c1cccc(Br)c1 | [N][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | N#Cc1cnccc12.c12cccc(Br)c1 |
1931247 | O=C1CCC(=O)N2CCN(Cc3ccccc3)CC12 | [O][=C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][Ring1][=N] | O=C1CCC(=O)N2CCN4CC12.c15ccccc1.C45 |
1931248 | Nc1cc2c(cc1F)N(Cc1ccccc1)CCO2 | [N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][S] | Nc1cc2c(cc1F)N3CCO2.c14ccccc1.C34 |
1931249 | Nc1cc2c(cc1F)OCCN2Cc1ccccc1 | [N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][O][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1cc2c(cc1F)OCCN23.c14ccccc1.C34 |
1931250 | O=C1CC(CO)Cc2onc(Cc3ccncc3)c21 | [O][=C][C][C][Branch1][Ring1][C][O][C][C][O][N][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring1][N][Ring2][Ring1][C] | O=C1CC5Cc2onc4c21.c16ccncc1.C5O.C46 |
1931251 | CC(C)C(NC(=O)Cc1ccc(O)cc1)c1ccccc1 | [C][C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(O)cc1.c14ccccc1.CC(C)C34.C2(=O)C5.N23 |
1931252 | COc1ccc(C(C)NC(=O)Cc2ccc(O)cc2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][F] | c14ccc6cc1F.c17ccc(O)cc1.C3(=O)C7.C56C.CO4.N35 |
1931253 | COc1ccc(OC)c(CC(=O)NC(C)c2ccc(OC)c(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c14ccc5c8c1.c19ccc6c(F)c1.C8C3=O.C79C.CO4.O5C.N37.O6C |
1931254 | Cc1csc(=O)n1CCSc1nnc(-c2ccncc2)o1 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O] | Cc1csc(=O)n14.c15nnc6o1.c16ccncc1.C4C3.S35 |
1931256 | Nc1n[nH]c2nc(C(F)(F)F)c3c(c12)CNCC3 | [N][C][=N][NH1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][=Branch1][=C][Ring1][=N][Ring1][#Branch2][C][N][C][C][Ring1][#Branch1] | Nc1n[nH]c2nc4c3c(c12)CNCC3.C4(F)(F)F |
1931257 | COc1n[nH]c(-c2cc(C)[nH]n2)c1Br | [C][O][C][=N][NH1][C][Branch1][O][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][=C][Ring1][O][Br] | c13n[nH]c4c1Br.c14cc(C)[nH]n1.CO3 |
1931258 | COc1c(Br)c(-c2ccco2)nn1C | [C][O][C][=C][Branch1][C][Br][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][O][C] | c13c(Br)c4nn1C.c14ccco1.CO3 |
1931259 | CCCCN(CC)C(=O)COc1cccc2ccc(C)nc12 | [C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring1][#Branch1] | c15cccc2ccc(C)nc12.CCCC6.C3(=O)C4.N367.C7C.O45 |
1931260 | COc1ccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F] | c15ccc7cc1F.N14CCN6CC1.c16ccc(O)cc1.C7C4=O.CO5 |
1931261 | O=C(CCc1cccnc1)NCCCN1CCCC1=O | [O][=C][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O] | c15cccnc1.N14CCCC1=O.O=C2CC5.C3CC4.N23 |
1931262 | C=CCn1c(SCCc2ccccn2)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14c6nnc17.c15ccccn1.c17ccncc1.C=CC4.C3C5.S36 |
1931263 | Cc1nc(-c2ccc(NC(=O)NC(C)(C)C)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c17ccc6cc1.Cc1nc7cs1.C5(C)(C)C.C34=O.N36.N45 |
1931264 | Fc1ccc(CN2CCc3ccccc3C2)cc1F | [F][C][=C][C][=C][Branch1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring1][P][F] | N14CCc2ccccc2C1.Fc1ccc5cc1F.C45 |
1931265 | CC1CN(Cc2nc(-c3ccccc3OC(F)F)no2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][O][Ring1][#C][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | CC1CN5CC(C)O1.c17ccccc14.c16nc7no1.O4C(F)F.C56 |
1931266 | FC(F)Oc1ccccc1-c1noc(CN2CCOCC2)n1 | [F][C][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N] | c13ccccc16.c16noc5n1.N14CCOCC1.FC(F)O3.C45 |
1931267 | CNC(=O)c1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c18ccc(O)cc1.C4(=O)C8.C36=O.N45C.CN3.C57 |
1931268 | Cc1nc(CC(=O)Oc2cccc(N3CCCC3=O)c2)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=C][S][Ring2][Ring1][Branch1] | c15cccc7c1.Cc1nc6cs1.N17CCCC1=O.C6C4=O.O45 |
1931269 | COc1ccc(Cl)cc1CN(C)C(=O)Cc1ccc(O)cc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc15.c16ccc(O)cc1.C2(=O)C6.N24C.CO3.C45 |
1931270 | CCOC(=O)c1c(Cl)c(C)nc2sccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][C][S][C][=C][C][Ring1][O][=Ring1][Branch1] | c15c(Cl)c(C)nc2sccc12.C35=O.CC4.O34 |
1931271 | CCN(CC1Oc2nocc2NC1=O)C(=O)OC | [C][C][N][Branch1][S][C][C][O][C][=N][O][C][=C][Ring1][Branch1][N][C][Ring1][=Branch2][=O][C][=Branch1][C][=O][O][C] | C17Oc2nocc2NC1=O.N456.C34=O.CC5.C67.O3C |
1931272 | O=C1OCc2c(Br)cc3c(c21)OCC3 | [O][=C][O][C][C][=C][Branch1][C][Br][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch1][Ring1][#Branch2][O][C][C][Ring1][=Branch1] | O=C1OCc2c(Br)cc3c(c21)OCC3 |
1931273 | Nc1ccc(-c2ocnc2-c2ccc(F)cc2)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][=N][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Nc1ccc3cc1.c14ccc(F)cc1.c13ocnc14 |
1931275 | CC(=O)c1oc(C)c2c(Br)ccnc12 | [C][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=C][C][Branch1][C][Br][=C][C][=N][C][=Ring1][O][Ring1][#Branch1] | c13oc(C)c2c(Br)ccnc12.CC3=O |
1931276 | Nc1occ2c1nc(C1CC1)n2Cc1ccccc1 | [N][C][O][C][=C][C][=Ring1][Branch1][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1occ2c1nc5n23.c14ccccc1.C15CC1.C34 |
1931277 | CC(=O)c1ccc(-c2ccc(S(C)(=O)=O)o2)[nH]1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][=Branch2][NH1][Ring1][=C] | c14ccc(S(C)(=O)=O)o1.c13ccc4[nH]1.CC3=O |
1931278 | Nc1cnn(Cc2cccc(Br)c2)n1 | [N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=Ring1][=N] | c14cccc(Br)c1.Nc1cnn3n1.C34 |
1931279 | Nc1cnn(Cc2ccc(Br)cc2)n1 | [N][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][=N] | c14ccc(Br)cc1.Nc1cnn3n1.C34 |
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