ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923209 | COc1ccc(-c2cc(C(=O)Nc3nc(C(C)C)nn3C)[nH]n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][Ring1][Branch2][C][NH1][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.c16nc8nn1C.c19cc7[nH]n1.C47=O.C8(C)C.CO5.N46 |
1923210 | COc1cc(C(C)NC2CCCNC2=O)ccc1SC(F)F | [C][O][C][=C][C][Branch1][#C][C][Branch1][C][C][N][C][C][C][C][N][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][S][S][C][Branch1][C][F][F] | c13cc6ccc17.C15CCCNC1=O.S7C(F)F.C46C.CO3.N45 |
1923211 | Cc1cc(C)n(-c2ccc(C(C)Nc3ncccn3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][Branch1][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n7n1.c17ccc6cc1.c15ncccn1.C46C.N45 |
1923212 | CCOCCC1(CNC(=O)c2ccc3cc[nH]c3c2)CCC1 | [C][C][O][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][Ring1][P] | c18ccc2cc[nH]c2c1.C19%10CCC1.C6C9.C48=O.CC5.O56.C7%10.N47 |
1923213 | CCOCCC1(CNC(=O)c2cc(C)n[nH]2)CCC1 | [C][C][O][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][NH1][Ring1][=Branch1][C][C][C][Ring1][=C] | c17cc(C)n[nH]1.C189CCC1.C5C8.C37=O.CC4.O45.C69.N36 |
1923214 | CN(C)c1nc2cc(NC(=O)CNC(=O)c3cccs3)ccc2o1 | [C][N][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1] | c17nc2cc8ccc2o1.c19cccs1.C4(=O)C6.CN7C.C59=O.N48.N56 |
1923215 | CC(NCC1(c2ccc3c(c2)OCO3)CC1)c1cnccn1 | [C][C][Branch2][Ring1][=Branch2][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c18ccc2c(c1)OCO2.c16cnccn1.C178CC1.CC46.N45.C57 |
1923216 | Cc1cc(NC2CCCc3cn[nH]c32)nc(C2CC2)n1 | [C][C][=C][C][Branch1][#C][N][C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][=Branch2][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring1] | N4C1CCCc2cn[nH]c21.Cc1cc4nc5n1.C15CC1 |
1923217 | COCc1nc(C)cc(NC2CCCc3cn[nH]c32)n1 | [C][O][C][C][=N][C][Branch1][C][C][=C][C][Branch1][#C][N][C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][=Branch2][=N][Ring1][P] | N5C1CCCc2cn[nH]c21.c16nc5cc(C)n1.CO4.C46 |
1923218 | CC1(C)CC(NC(=O)NCc2cscn2)c2ccc(F)cc2O1 | [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][S][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch1] | CC1(C)CC(N3)c2ccc(F)cc2O1.c16cscn1.C34=O.N45.C56 |
1923221 | O=C(NCc1ccccc1OC1CCC1)NC1CCc2[nH]ncc2C1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring2][N][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | C18CCc2[nH]ncc2C1.c19ccccc16.C15CCC1.O=C34.N37.C79.O56.N48 |
1923222 | O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CC(O)C1 | [O][=C][Branch2][Ring1][O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][C][C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][Ring1][Branch1] | c14nn5c2c1CCCC2.c15ccc(F)cc1.N13CC(O)C1.O=C34 |
1923223 | O=C(c1ccc2c(c1)CCCN2C(=O)c1ccccc1)N1CC(O)C1 | [O][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][Ring1][Branch1] | c15ccc2c(c1)CCCN24.c16ccccc1.N13CC(O)C1.O=C35.C46=O |
1923224 | Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N1CC(O)C1 | [C][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][Ring1][Branch1] | Cc1oc2c(F)c(F)c(F)c(F)c2c14.N13CC(O)C1.C34=O |
1923225 | CCc1n[nH]c(=O)c(C(=O)N2CCOC3(CCCC3)C2)c1CC | [C][C][C][=N][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][C] | N14CCOC2(CCCC2)C1.c16n[nH]c(=O)c5c17.C45=O.CC6.C7C |
1923226 | CC(CNC(C)c1ccc(S(C)(=O)=O)cc1)c1cccs1 | [C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | c15ccc(S(C)(=O)=O)cc1.c14cccs1.CC4C2.C35C.N23 |
1923228 | CC(NCC(C)(O)c1cccs1)c1ccccc1F | [C][C][Branch1][P][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.C3C4(C)O.c14cccs1.CC25.N23 |
1923229 | CC(NCC(C)(O)c1ccsc1)c1ccc(-n2ccnc2)cc1 | [C][C][Branch1][P][N][C][C][Branch1][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | c15ccc7cc1.C4C6(C)O.c16ccsc1.n17ccnc1.CC35.N34 |
1923230 | Cc1nc(C(C)(C)C)sc1C(C)NCc1ncnn1C | [C][C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][Branch1][C][C][N][C][C][=N][C][=N][N][Ring1][Branch1][C] | Cc1nc4sc15.c16ncnn1C.C4(C)(C)C.C25C.N23.C36 |
1923231 | O=C1CC(CNC2CCSc3ccc(F)cc32)c2ccccc2N1 | [O][=C][C][C][Branch2][Ring1][Ring2][C][N][C][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1] | O=C1CC(C4)c2ccccc2N1.N4C1CCSc2ccc(F)cc21 |
1923232 | COc1ncccc1C(=O)NC1CCCc2cn[nH]c21 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][Ring1][=Branch2] | N3C1CCCc2cn[nH]c21.c14ncccc15.C35=O.CO4 |
1923233 | COc1ccccc1C(=O)NCCC(=O)Nc1ccc(F)nc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] | c14ccccc17.c16ccc(F)nc1.C5CC3=O.C27=O.CO4.N25.N36 |
1923235 | CCC1(CC)C(OC)CC1N(C)C(=O)NCc1ccnn1C | [C][C][C][Branch1][Ring1][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C] | C189C4CC16.c17ccnn1C.N26C.C23=O.CC8.C9C.O4C.N35.C57 |
1923236 | O=C(OC1CCCNC1=O)c1csc(-c2ccoc2)n1 | [O][=C][Branch1][O][O][C][C][C][C][N][C][Ring1][=Branch1][=O][C][=C][S][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2] | C14CCCNC1=O.c15csc6n1.c16ccoc1.O=C35.O34 |
1923238 | Cc1cc(C)nc(NC2CCOC3(CCCC3)C2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][N][C][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][C] | C15CCOC2(CCCC2)C1.Cc1cc(C)nc4n1.N45 |
1923239 | Brc1cnc(NC2CCOC3(CCCC3)C2)nc1 | [Br][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][N][=C][Ring1][P] | C15CCOC2(CCCC2)C1.Brc1cnc4nc1.N45 |
1923240 | Cc1ccnc(NC2CCOC3(CCCCC3)C2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][C] | C15CCOC2(CCCCC2)C1.Cc1ccnc4n1.N45 |
1923241 | Cc1cc(=O)[nH]c(C(C)Sc2nnc(Cc3cccs3)n2C)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch2][C][Branch1][C][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(=O)[nH]c5n1.c18nnc6n1C.c17cccs1.C45C.S48.C67 |
1923242 | Fc1ccc(CNc2cccc(Cn3cnnc3)c2)c(Cl)c1 | [F][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1] | Fc1ccc7c(Cl)c1.c15cccc8c1.n16cnnc1.C47.N45.C68 |
1923243 | O=C(NCCc1cscn1)NCc1ccc(-c2ccccc2)o1 | [O][=C][Branch1][O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | c18ccc9o1.c19ccccc1.c17cscn1.O=C34.C5C7.N35.N46.C68 |
1923245 | Cc1cc(=O)[nH]c(C(C)Sc2nncn2Cc2ccco2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch1][C][Branch1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc(=O)[nH]c5n1.c17nncn14.c16ccco1.C35C.S37.C46 |
1923246 | Cc1ccc(F)c(OCC(=O)c2cc(C(N)=O)co2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][O][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | Cc1ccc(F)c4c1.c15cc6co1.C3C5=O.C6(N)=O.O34 |
1923247 | COCCCCCS(=O)(=O)c1ccc2ccccc2n1 | [C][O][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | C3CCCCS(=O)(=O)c1ccc2ccccc2n1.CO3 |
1923250 | Cc1cc2ccccc2nc1NCC(=O)NCC(F)(F)F | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F] | Cc1cc2ccccc2nc16.C5C(F)(F)F.C4C3=O.N46.N35 |
1923251 | Cc1ccc2c(c1)C(NC(=O)NC1CCOC3(CCCC3)C1)CO2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][C][O][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)C(N4)CO2.C16CCOC2(CCCC2)C1.C45=O.N56 |
1923252 | COc1cc(C)c(CN(C)C(=O)C(N)c2ccccc2)cc1OC | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] | c14cc(C)c7cc15.c18ccccc1.C3(=O)C8N.N36C.CO4.C67.O5C |
1923253 | NC(C(=O)N1CCN(C(=O)CCC2CCCC2)CC1)c1ccccc1 | [N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN4CC1.c16ccccc1.NC6C3=O.C4(=O)CC5.C15CCCC1 |
1923254 | CCCC(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | c17ccc6c2ncccc12.CCCC4=O.C5C3=O.N47.O56.O3C |
1923255 | Cc1cncc(C(=O)OCCN2CCCCCC2=O)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1] | N16CCCCCC1=O.Cc1cncc5c1.C35=O.C4C6.O34 |
1923256 | O=C(Cc1ccccc1Cl)NC(CCCO)c1ccccc1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][Branch1][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1Cl.C35CCCO.c15ccccc1.O=C2C4.N23 |
1923257 | COc1ccc(NC(=O)N(C)CC(F)F)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c15ccc7c2cccnc12.C6C(F)F.C34=O.N46C.CO5.N37 |
1923259 | CC(CNC(=O)N1CC(=O)NC2CCCCC21)c1ccsc1 | [C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Ring1][O][C][C][=C][S][C][=Ring1][Branch1] | N14CC(=O)NC2CCCCC21.c16ccsc1.CC6C5.C34=O.N35 |
1923260 | CCNc1nc(C(=O)NCc2cn(-c3ccccc3)nn2)cs1 | [C][C][N][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=C][S][Ring2][Ring1][Ring2] | c17nc8cs1.c19cn%10nn1.c1%10ccccc1.C48=O.CC5.N57.N46.C69 |
1923262 | CC1(CO)CCCC1NC(=O)Cc1ccccc1C(F)(F)F | [C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | CC14CCCC13.c15ccccc16.C2(=O)C5.C6(F)(F)F.C4O.N23 |
1923263 | CC1(CO)CCCC1NC(=O)Cc1ccc(F)cc1F | [C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.CC14CCCC13.C2(=O)C5.C4O.N23 |
1923264 | O=C(CNC(=O)c1cc(Br)c[nH]1)Nc1ccccn1 | [O][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16cc(Br)c[nH]1.c15ccccn1.O=C2C4.C36=O.N34.N25 |
1923265 | O=C(Nc1ccc(F)cc1NC1CC1)c1ccncc1Cl | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | c13ccc(F)cc14.c16ccncc1Cl.O=C26.C15CC1.N23.N45 |
1923266 | Cc1cc(CC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][O][C][Ring1][O][=C][Ring1][#C][=N][NH1][Ring2][Ring1][Branch2] | c17ccc2nc6oc2c1.Cc1cc8n[nH]1.N16CCOCC1.C8C5=O.N57 |
1923267 | O=C(Cc1n[nH]c2ccccc12)NCCc1ccc(O)cc1 | [O][=C][Branch1][#C][C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15n[nH]c2ccccc12.c16ccc(O)cc1.O=C3C5.C4C6.N34 |
1923268 | COc1ccc(COc2ccc(CC3CCC(=O)O3)cc2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][F] | c15ccc8cc1F.c16ccc9cc1.C17CCC(=O)O1.CO5.C48.O46.C79 |
1923269 | COCCn1cc(NCc2coc(-c3ccc(C)cc3)n2)cn1 | [C][O][C][C][N][C][=C][Branch2][Ring1][#Branch1][N][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=N][Ring2][Ring1][Ring1] | c19ccc(C)cc1.n17cc6cn1.c18coc9n1.C4C7.CO4.N56.C58 |
1923271 | CCC(NS(=O)(=O)CC(C)c1ccccc1)c1noc(C)n1 | [C][C][C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | S3(=O)(=O)CC5C.c15ccccc1.c14noc(C)n1.CCC24.N23 |
1923272 | CC(Cc1ccc(O)cc1)NC(=O)c1cnccn1 | [C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccc(O)cc1.c14cnccn1.CC3C5.C24=O.N23 |
1923273 | O=C(Cc1ccon1)N(Cc1ccc(O)cc1)CC1CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][O][N][=Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring1] | c17ccc(O)cc1.c15ccon1.O=C2C5.N234.C16CC1.C37.C46 |
1923274 | CC(=O)c1c(F)cc(F)cc1OCc1nccn1CC(F)(F)F | [C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F] | c14c3cc(F)cc1F.c16nccn15.C5C(F)(F)F.CC4=O.O23.C26 |
1923275 | O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccncc1F | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c16ccc4cc1.c15ccc8cc1.c17ccncc1F.O=C37.N36.O45.C8O |
1923276 | O=C(COc1cccc(N2CCCC2=O)c1)N1CCOC(CO)C1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][N][C][C][O][C][Branch1][Ring1][C][O][C][Ring1][Branch2] | c15cccc7c1.N13CCOC6C1.N17CCCC1=O.O=C3C4.O45.C6O |
1923277 | O=C(NCc1ccc(O)c(F)c1)C(O)c1ccccc1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(O)c(F)c1.c15ccccc1.O=C2C5O.N23.C34 |
1923279 | CC(C)(C)c1nnnn1CCCn1nnnc1C(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C] | c14nnnn12.n13nnnc15.CC4(C)C.C2CC3.C5(C)(C)C |
1923280 | NC(=O)c1ccc(=O)n(CCCc2nc(-c3cccs3)no2)n1 | [N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=Ring2][Ring1][Ring2] | c14ccc(=O)n5n1.c16nc7no1.c17cccs1.C5CC6.NC4=O |
1923281 | CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccn1 | [C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc(Cl)c6c1.N16CCNC1=O.c14ccccn1.CN34.C35=O |
1923282 | CN(C)c1ncncc1NC(=O)Cn1ccc2ccccc21 | [C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n16ccc2ccccc21.c14ncncc15.C3(=O)C6.CN4C.N35 |
1923283 | COc1ccccc1C(N)C(=O)N(C)Cc1ccc(SC)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | c13ccccc15.c16ccc7cc1.C5(N)C2=O.N24C.CO3.C46.S7C |
1923284 | COCc1ccc([S+]([O-])Cc2noc(Cc3ccccc3)n2)cc1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][S+1][Branch1][C][O-1][C][C][=N][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c17ccc([S+]([O-])C5)cc1.c15noc6n1.c18ccccc1.CO4.C47.C68 |
1923285 | [O-][S+](Cc1nc(-c2ccco2)no1)c1cccs1 | [O-1][S+1][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1] | [O-][S+](C3)c1cccs1.c13nc4no1.c14ccco1 |
1923286 | O=C(C[S+]([O-])c1cccs1)N1CCc2ccccc21 | [O][=C][Branch1][=N][C][S+1][Branch1][C][O-1][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3C[S+]([O-])c1cccs1.N13CCc2ccccc21 |
1923287 | COC(C(=O)N1CCN(c2cccc(O)c2)CC1)c1ccccc1 | [C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN5CC1.c15cccc(O)c1.c16ccccc1.C46C3=O.CO4 |
1923288 | CCOC(=O)C1(C)CCCN1C(=O)c1csc(NC(C)=O)n1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][Ring1][=Branch2] | C17(C)CCCN13.c18csc6n1.C27=O.C38=O.C4(C)=O.CC5.O25.N46 |
1923289 | O=C(CNc1cncc(OCc2ccccc2)n1)NC1CC1 | [O][=C][Branch2][Ring1][#Branch1][C][N][C][=C][N][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][N][C][C][C][Ring1][Ring1] | c17cncc5n1.c19ccccc1.O=C3C6.C18CC1.N67.O45.C49.N38 |
1923291 | CCOC(=O)c1cncn(Cc2ccc(SC(F)F)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][=O] | c15cncn6c1=O.c17ccc8cc1.S8C(F)F.C35=O.CC4.O34.C67 |
1923292 | COC(=O)C(C)CN(Cc1ccccc1)c1ncccn1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C(C)C3.c16ccccc1.c15ncccn1.N345.CO2.C46 |
1923293 | NC(=O)CCN(Cc1ccccc1)c1nccc(C(F)(F)F)n1 | [N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2] | c14nccc5n1.c16ccccc1.NC(=O)CC2.C5(F)(F)F.N234.C36 |
1923294 | CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nccc(C)n1 | [C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1] | c17ccc6cc1.c15nccc(C)n1.N345.C26=O.N2(C)C.CC3.C47 |
1923295 | CCN(Cc1ccc(C(=O)N(C)C)cc1)c1ncc(Cl)cn1 | [C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c17ccc6cc1.c15ncc(Cl)cn1.N345.C26=O.N2(C)C.CC3.C47 |
1923296 | Cn1cc(CNc2cccc(OCCn3cccn3)c2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][C][Branch1][O][O][C][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][=C][C][=N][Ring2][Ring1][Branch1] | c17cccc5c1.Cn1cc9cn1.n18cccn1.C4C8.C69.N67.O45 |
1923298 | OCc1ccccc1NCc1cnn(Cc2ccccc2Cl)c1 | [O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=N] | c16ccccc14.c18ccccc1Cl.c17cnn5c1.OC6.N34.C37.C58 |
1923300 | CC(C)(C)OC(=O)Nc1ccc(NCc2ccco2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N] | c17ccc8cc1.c19ccco1.CC5(C)C.C34=O.O35.N47.N68.C69 |
1923301 | CCCC(=O)Nc1cccc(NCc2occc2C)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][C][C][O][C][=C][C][=Ring1][Branch1][C][=C][Ring1][=C] | c15cccc6c1.c17occc1C.CCCC3=O.N35.N46.C47 |
1923302 | Cc1cc(C)n(-c2cccc(NCc3c[nH]nc3-c3cccnc3)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][=Branch2] | Cc1cc(C)n7n1.c17cccc5c1.c16c[nH]nc18.c18cccnc1.N45.C46 |
1923303 | Fc1cc(NCc2c[nH]nc2-c2cccnc2)ccc1-n1ccnc1 | [F][C][=C][C][Branch2][Ring1][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][N][C][=C][N][=C][Ring1][Branch1] | Fc1cc4ccc16.c15c[nH]nc17.c17cccnc1.n16ccnc1.N34.C35 |
1923304 | Cc1ccc(CNc2ccccc2CC(=O)N(C)C)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring2][Ring1][Ring1] | c15ccccc17.Cc1ccc6o1.C7C3=O.N3(C)C.C46.N45 |
1923307 | CC(C)(C)n1cc(CNc2ccc(-n3ccnn3)cc2)cn1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=N][Ring2][Ring1][C] | c15ccc8cc1.n16cc7cn1.n18ccnn1.CC6(C)C.C47.N45 |
1923308 | CCc1ccc(CNc2cccc(C(=O)NCCO)c2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][N][O][Ring2][Ring1][Ring1] | c16cccc7c1.c18ccc9o1.C37=O.C5CO.CC8.C49.N46.N35 |
1923309 | CCn1cc(CNc2ccc(-n3nncc3C(F)(F)F)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][N][C][N][C][=C][C][=C][Branch1][S][N][N][=N][C][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][C][=N][Ring2][Ring1][=Branch1] | c15ccc9cc1.n16cc8cn1.n19nncc17.C7(F)(F)F.CC6.C48.N45 |
1923310 | Cc1ccc(CNc2cccc(NC(=O)CO)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][O][=C][Ring1][O][O][Ring2][Ring1][C] | c15cccc6c1.Cc1ccc7o1.C3(=O)CO.C47.N45.N36 |
1923311 | CCOc1cc(NCc2ccc(CO)o2)ccc1C | [C][C][O][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][C][=C][Ring1][#C][C] | c14cc6ccc1C.c17ccc8o1.CC3.O34.N56.C57.C8O |
1923312 | Cc1cnc(-c2cccc(NCc3ccc(C#N)cc3)c2)o1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring1][S][O][Ring2][Ring1][Branch1] | c16ccc(C#N)cc1.c17cccc5c1.Cc1cnc7o1.N45.C46 |
1923313 | Cc1cc(C)n(Cc2cccc(NCc3ccc(CO)o3)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n6n1.c19cccc5c1.c17ccc8o1.C69.N45.C47.C8O |
1923314 | Cc1n[nH]cc1CNc1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2 | [C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][=C] | c17ccc2c(c1)N4CCC2.Cc1n[nH]cc18.C5(C)(C)C.C34=O.C68.N67.O35 |
1923315 | CC(=O)N(C)c1ccccc1NCc1ccc(C)o1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c14ccccc15.c16ccc(C)o1.CC2=O.N24C.N35.C36 |
1923316 | CC(=O)N(Cc1ccc(NCc2cccc3[nH]ccc23)cc1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][N][C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][P][C][C][C][Ring1][Ring1] | c1%10cccc2[nH]ccc12.c19ccc7cc1.CC4=O.N458.C18CC1.C59.N67.C6%10 |
1923317 | Cc1nnc(-c2cccc(NCc3csc(C(C)(C)C)n3)c2)o1 | [C][C][=N][N][=C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][=C][Ring1][P][O][Ring2][Ring1][=Branch1] | c18cccc5c1.Cc1nnc8o1.c16csc7n1.C7(C)(C)C.N45.C46 |
1923318 | CC1CN(Cc2cccc(NCc3cc[nH]c3)c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][=C][NH1][C][=Ring1][Branch1][=C][Ring1][=N][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | CC1CN4CC(C)O1.c17cccc6c1.c18cc[nH]c1.C47.N56.C58 |
1923319 | CSc1ccc(NCc2ccc(CO)o2)cc1F | [C][S][C][=C][C][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=C][Ring1][#C][F] | c17ccc4cc1F.c15ccc6o1.CS7.N34.C35.C6O |
1923320 | C[S+]([O-])c1ccc(NCc2csc(-c3ccccn3)n2)cc1F | [C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring1][F] | C[S+]([O-])c1ccc5cc1F.c16csc7n1.c17ccccn1.N45.C46 |
1923321 | O=C1NCCCN1c1cccc(NCc2cnn(-c3ccccc3)c2)c1 | [O][=C][N][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][Ring2][Ring1][Ring1] | O=C1NCCCN18.c18cccc5c1.c16cnn7c1.c17ccccc1.N45.C46 |
1923322 | Cc1cc(NC(=O)OC(C)(C)C)ccc1NCc1ccc(CO)o1 | [C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1] | Cc1cc6ccc17.c18ccc9o1.C4(C)(C)C.C23=O.N36.O24.N57.C58.C9O |
1923324 | Cc1coc(-c2cc(NCc3cccc(O)c3)ccc2C)n1 | [C][C][=C][O][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | c17cc5ccc1C.c16cccc(O)c1.Cc1coc7n1.N45.C46 |
1923325 | COc1nc(C)cc(C)c1-c1noc(CCc2cnn(C)c2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][O][C][Branch1][=N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][Ring1][=N] | c13nc(C)cc(C)c16.c16noc4n1.c15cnn(C)c1.C4C5.CO3 |
1923326 | Cc1ccccc1OC(C)C(=O)N1CCN(Cc2ccncc2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | Cc1ccccc15.N13CCN6CC1.c17ccncc1.C4(C)C3=O.O45.C67 |
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