ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934051 | CC(NC(=O)CN1CCCCC1=O)c1ccc(OC(F)F)cc1 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2] | N15CCCCC1=O.c16ccc3cc1.C2(=O)C5.O3C(F)F.CC46.N24 |
1934052 | O=C(CN1CCCCC1=O)N1CCN(C(=O)C2CCCC2)CC1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] | N16CCCCC1=O.N13CCN4CC1.C15CCCC1.O=C3C6.C45=O |
1934053 | O=C(CCc1nc(-c2ccccn2)no1)N(C1CCCC1)C1CC1 | [O][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1] | c16nc7no1.c17ccccn1.O=C3CC6.C14CCCC1.N345.C15CC1 |
1934054 | CC(c1ccc(Cl)cc1)N(C)C(=O)CN1CCCCC1=O | [C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15ccc(Cl)cc1.N14CCCCC1=O.C2(=O)C4.CC35.N23C |
1934055 | CNC(=O)c1ccc(CNC(=O)CN2CCCCC2=O)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C] | c16ccc8cc1.N17CCCCC1=O.C4(=O)C7.C36=O.CN3.C58.N45 |
1934056 | COc1ccc(CNC(=O)CN2CCCCC2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc8c5c1.N17CCCCC1=O.C3(=O)C7.CO4.C68.N36.O5C |
1934057 | O=C(CN1CCCCC1=O)NCc1cccc(Br)c1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | N14CCCCC1=O.c15cccc(Br)c1.O=C2C4.N23.C35 |
1934058 | Cc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.N15CCCCC1=O.C3(=O)C5.C46C.N34 |
1934059 | COc1cccc(CNC(=O)CN2CCCCC2=O)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C][O][C] | c14cccc8c15.N17CCCCC1=O.C3(=O)C7.CO4.C68.N36.O5C |
1934060 | Cc1ccc(CNC(=O)CN2CCCCC2=O)c(C)c1 | [C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6c(C)c1.N15CCCCC1=O.C3(=O)C5.C46.N34 |
1934061 | Cc1cc(C)c(CNC(=O)CN2CCCCC2=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c6c(C)c1.N15CCCCC1=O.C3(=O)C5.C46.N34 |
1934063 | CCC(NC(=O)CN1CCCCC1=O)c1cccc(Cl)c1 | [C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | N14CCCCC1=O.c15cccc(Cl)c1.CCC35.C2(=O)C4.N23 |
1934064 | CC(c1ccccc1Cl)N(C)C(=O)CN1CCCCC1=O | [C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15ccccc1Cl.N14CCCCC1=O.C2(=O)C4.CC35.N23C |
1934067 | COc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.N17CCCCC1=O.C3(=O)C7.C68C.CO4.N36.O5C |
1934069 | CCN(Cc1ccc(OC)cc1)C(=O)CN1CCCCC1=O | [C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c17ccc3cc1.N16CCCCC1=O.C2(=O)C6.N245.CC4.C57.O3C |
1934071 | O=C1CCCCN1CC(=O)N(CCc1ccccc1)C1CCCC1 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1] | O=C1CCCCN15.c16ccccc1.C14CCCC1.C5C2=O.N234.C3C6 |
1934072 | O=C1CCCCN1CC(=O)N(CCc1ccc(F)cc1)C1CCCC1 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1] | O=C1CCCCN15.c16ccc(F)cc1.C14CCCC1.C5C2=O.N234.C3C6 |
1934073 | NC(=O)c1cccc(CNC(=O)CN2CCCCC2=O)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C] | c15cccc7c1.N16CCCCC1=O.C3(=O)C6.NC5=O.C47.N34 |
1934075 | COc1ccc(CNC(=O)c2cnc3c(c2)c(C)nn3C)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1][F] | c17cnc2c(c1)c(C)nn2C.c15ccc8cc1F.C47=O.CO5.C68.N46 |
1934076 | COc1ccc(CNC(=O)CN2CCCCC2=O)cc1F | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C][F] | c14ccc7cc1F.N16CCCCC1=O.C3(=O)C6.CO4.C57.N35 |
1934078 | Cc1ccc(-c2nc(C)c(C(=O)NCCCO)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][S][Ring1][=N][O][Ring2][Ring1][C] | c16nc(C)c5s1.Cc1ccc6o1.C4CCO.C35=O.N34 |
1934079 | Cc1ccc(-c2nc(C(=O)NCCCO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][S][Ring1][N][O][Ring1][P] | Cc1ccc6o1.c16nc5cs1.C4CCO.C35=O.N34 |
1934080 | CCN(CCO)C(=O)c1sc(-c2ccc(C)o2)nc1C | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][=Ring1][O][C] | c16sc7nc1C.c17ccc(C)o1.N345.C5CO.C36=O.CC4 |
1934081 | CCN(CCO)C(=O)c1csc(-c2ccc(C)o2)n1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][O] | c16csc7n1.c17ccc(C)o1.N345.C5CO.C36=O.CC4 |
1934082 | Cc1ccc(-c2nc(C)c(C(=O)NCC(C)O)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][S][Ring1][=N][O][Ring2][Ring1][C] | c16nc(C)c5s1.Cc1ccc6o1.C4C(C)O.C35=O.N34 |
1934083 | Cc1ccc(-c2nc(C(=O)NCC(C)O)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][S][Ring1][N][O][Ring1][P] | Cc1ccc6o1.c16nc5cs1.C4C(C)O.C35=O.N34 |
1934084 | Cc1ccc(-c2nc(C)c(C(=O)NC(C)CO)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][S][Ring1][=N][O][Ring2][Ring1][C] | c16nc(C)c5s1.Cc1ccc6o1.C4(C)CO.C35=O.N34 |
1934085 | Cc1ccc(-c2nc(C(=O)NC(C)CO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][S][Ring1][N][O][Ring1][P] | Cc1ccc6o1.c16nc5cs1.C4(C)CO.C35=O.N34 |
1934086 | C=CCN(Cc1ccccc1)C(=O)CN1CCCCC1=O | [C][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | N15CCCCC1=O.c16ccccc1.C2(=O)C5.C=CC3.N234.C46 |
1934087 | Cc1cc(NC(=O)CN2CCCCC2=O)n(C)n1 | [C][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][Branch1][C][C][N][=Ring1][P] | Cc1cc4n(C)n1.N15CCCCC1=O.C3(=O)C5.N34 |
1934088 | CN(Cc1cn2cccnc2n1)c1cccc2ccccc12 | [C][N][Branch1][#C][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ccccc12.c15cn2cccnc2n1.CN34.C35 |
1934089 | CC(NC(=O)CN(C)c1ccc(F)c(F)c1)c1ccco1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(F)c(F)c1.c16ccco1.C2(=O)C4.CC36.N45C.N23 |
1934090 | COC(=O)c1occc1CN(C)c1ccc(F)c(F)c1 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15occc16.C25=O.N34C.CO2.C36 |
1934091 | CN(CCc1ccc(F)cc1)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C | [C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C] | c15nc2c([nH]1)c(=O)n(C)c(=O)n2C.c16ccc(F)cc1.CN34.C3C6.C45 |
1934092 | COc1cccc(-c2noc(CN(C)Cc3ccoc3C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][Branch1][C][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] | c14cccc9c1.c19noc7n1.c18ccoc1C.N56C.CO4.C57.C68 |
1934093 | CC(C)=CCOC(=O)C1CCCN1C(=O)Cc1cccs1 | [C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | C15CCCN13.c17cccs1.C3(=O)C7.CC=6C.C=6C4.C25=O.O24 |
1934094 | CCOC(=O)CCN1Cc2ccccc2CC1c1nnc(C)o1 | [C][C][O][C][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1] | N15Cc2ccccc2CC16.c16nnc(C)o1.C3(=O)CC5.CC4.O34 |
1934095 | CN(CCCc1cnn(C)c1)c1ccc(F)c(F)c1 | [C][N][Branch1][=C][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.c14cnn(C)c1.C2CC4.CN23 |
1934096 | CN(Cc1ccco1)C(=O)CN(C)c1ccc(F)c(F)c1 | [C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c15ccc(F)c(F)c1.c16ccco1.C2(=O)C4.CN23.N45C.C36 |
1934097 | CN(Cc1noc(-c2ccsc2)n1)c1ccc(F)c(F)c1 | [C][N][Branch2][Ring1][C][C][C][=N][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15noc6n1.c16ccsc1.CN34.C35 |
1934098 | CN(Cc1noc(-c2ccccc2)n1)c1ccc(F)c(F)c1 | [C][N][Branch2][Ring1][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15noc6n1.c16ccccc1.CN34.C35 |
1934099 | CN(CC(=O)NCC1CCCO1)c1ccc(F)c(F)c1 | [C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c15ccc(F)c(F)c1.C16CCCO1.C3C2=O.CN35.N24.C46 |
1934100 | Cc1ccc(CN(C)C(=O)CN(C)c2ccc(F)c(F)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O][Ring2][Ring1][Branch1] | c16ccc(F)c(F)c1.Cc1ccc7o1.C3(=O)C5.N34C.N56C.C47 |
1934101 | COc1ccccc1CC(=O)NC1c2ccccc2CC1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.c14ccccc15.C5C3=O.CO4 |
1934102 | O=C(NC1c2ccccc2CC1O)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | N3C1c2ccccc2CC1O.c14ccc2c(c1)OCO2.O=C34 |
1934103 | COc1ccc(CC(=O)NC2c3ccccc3CC2O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][=C][Ring2][Ring1][Ring2][O][C] | N4C1c2ccccc2CC1O.c15ccc7cc16.C7C4=O.CO5.O6C |
1934104 | CN(C)C(=O)N1CCC(C(=O)NC2c3ccccc3CC2O)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][C][Ring2][Ring1][Ring1] | N6C1c2ccccc2CC1O.N15CCC7CC1.CN4C.C45=O.C67=O |
1934105 | O=C(Cc1ccc(Cl)c(Cl)c1)NC1c2ccccc2CC1O | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.c14ccc(Cl)c(Cl)c1.O=C3C4 |
1934106 | O=C(Cc1cccc(C(F)(F)F)c1)NC1c2ccccc2CC1O | [O][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.c14cccc5c1.O=C3C4.C5(F)(F)F |
1934107 | O=C(NC1c2ccccc2CC1O)c1ccn(-c2ccccc2)n1 | [O][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | N3C1c2ccccc2CC1O.c14ccn5n1.c15ccccc1.O=C34 |
1934108 | O=C(Cc1ccc(Cl)cc1Cl)NC1c2ccccc2CC1O | [O][=C][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N3C1c2ccccc2CC1O.c14ccc(Cl)cc1Cl.O=C3C4 |
1934111 | COc1cc(CC(=O)NC2c3ccccc3CC2O)ccc1C | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][=C][C][=C][Ring2][Ring1][Ring2][C] | N4C1c2ccccc2CC1O.c15cc6ccc1C.C6C4=O.CO5 |
1934112 | CCCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c17ccc5c2ncccc12.CCCC6.C34=O.N36.N47.O5C |
1934113 | COc1ccc(NC(=O)NC(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][P][Ring1][=Branch1] | c15ccc7c2cccnc12.C34=O.C6(C)C.CO5.N37.N46 |
1934114 | COCCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c18ccc6c2ncccc12.C5C7.C34=O.CO5.N37.N48.O6C |
1934115 | COc1ccc(NC(=O)NCCc2cccs2)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c15ccc7c2cccnc12.c18cccs1.C34=O.C6C8.CO5.N37.N46 |
1934117 | CCc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | c16cc5cc(=O)[nH]1.N13CCN4CC1.S4(C)(=O)=O.C35=O.CC6 |
1934118 | CNC(=O)c1cccc(OC(=O)c2ccc(SC)cc2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring1][P] | c16cccc5c1.c17ccc8cc1.C46=O.C37=O.CN4.O35.S8C |
1934119 | O=C(Nc1nc(C(F)(F)F)cs1)c1cccnc1N1CCCC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cccnc14.c13nc6cs1.N14CCCC1.C6(F)(F)F.O=C25.N23 |
1934120 | CCn1nc(C(C)C)cc1C(=O)Nc1nc(C(F)(F)F)cs1 | [C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2] | n15nc6cc14.c13nc7cs1.C7(F)(F)F.C6(C)C.C24=O.CC5.N23 |
1934121 | CC(C)(C)C(NC(=O)CN1CCCCC1=O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCCCC1=O.CC(C)(C)C35.c15ccccc1.C2(=O)C4.N23 |
1934122 | CCCS(=O)(=O)NC1CCN(C(=O)C2CC2(Cl)Cl)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][=N] | C15CCN3CC1.CCCS4(=O)=O.C16CC1(Cl)Cl.C36=O.N45 |
1934125 | CCN(CC)C(=O)c1ccc(CNC(=O)CN2CCCCC2=O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][C] | c18ccc%10cc1.N19CCCCC1=O.C4(=O)C9.N356.C38=O.CC5.C6C.C7%10.N47 |
1934126 | CC(=O)c1cc(C(=O)N2CCOC(C)(C)C2)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][N][Branch1][C][C][C][=Ring1][S] | N13CCOC(C)(C)C1.c15cc4n(C)c1.CC5=O.C34=O |
1934127 | CC(C)N(C)C(=O)C1CCN(C(=O)C2CC2(Cl)Cl)CC1 | [C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][=N] | C16CCN4CC1.C17CC1(Cl)Cl.CC5C.N35C.C36=O.C47=O |
1934129 | CCC1CCCCN1C(=O)c1cc(C)n(-c2nccs2)c1C | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=Ring1][O][C] | c14cc(C)n6c1C.C15CCCCN13.c16nccs1.C34=O.CC5 |
1934130 | Cc1cc(C(=O)N(C)Cc2cccs2)c(C)n1-c1nccs1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][S][C][=N][C][=C][S][Ring1][Branch1] | Cc1cc5c(C)n17.c16cccs1.c17nccs1.C35=O.N34C.C46 |
1934132 | O=C(Nc1ccncc1)c1cnc2ccccc2c1C(F)(F)F | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.c14ccncc1.C6(F)(F)F.O=C35.N34 |
1934133 | Cc1cc(C(=O)N(C)C(C)c2cccs2)c(C)n1-c1nccs1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][Branch1][C][C][N][Ring1][P][C][=N][C][=C][S][Ring1][Branch1] | Cc1cc5c(C)n17.c16cccs1.c17nccs1.C35=O.N34C.C46C |
1934134 | Cc1cc(C(=O)NC2CCc3ccccc32)c(C)n1-c1nccs1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Branch1][C][C][N][Ring2][Ring1][C][C][=N][C][=C][S][Ring1][Branch1] | N4C1CCc2ccccc21.Cc1cc5c(C)n16.c16nccs1.C45=O |
1934135 | COC1CCN(C(=O)c2cc(C)n(-c3nccs3)c2C)CC1 | [C][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=Ring1][O][C][C][C][Ring2][Ring1][Ring2] | c16cc(C)n7c1C.C15CCN4CC1.c17nccs1.C46=O.CO5 |
1934136 | Cc1cc(C(=O)N2CCCC(O)C2)c(C)n1-c1nccs1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][#C][C][=N][C][=C][S][Ring1][Branch1] | Cc1cc4c(C)n15.N13CCCC(O)C1.c15nccs1.C34=O |
1934137 | O=C(NCc1cccc(Cn2ccnc2)c1)C1CC1(Cl)Cl | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl] | c17cccc8c1.n16ccnc1.C15CC1(Cl)Cl.O=C35.N34.C47.C68 |
1934139 | COc1ccnc(NC(C)c2ccc(OC(C)C)c(OC)c2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=N][Ring2][Ring1][Branch1] | c19ccc5c6c1.c14ccnc8n1.C79C.C3(C)C.CO4.N78.O35.O6C |
1934140 | COc1ccc(CNc2nc(C)cc(C)n2)cc1OC(F)F | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S][O][C][Branch1][C][F][F] | c13ccc7cc14.c16nc(C)cc(C)n1.O4C(F)F.CO3.C57.N56 |
1934141 | CCN(CC)C(=O)c1ccc(CNc2nc(C)cc(C)n2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S] | c17nc(C)cc(C)n1.c18ccc9cc1.N345.C38=O.CC4.C5C.C69.N67 |
1934142 | CCOc1ccc(CNc2nc(C)cc(C)n2)cc1OC | [C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S][O][C] | c14ccc8cc15.c17nc(C)cc(C)n1.CC3.O34.C68.N67.O5C |
1934143 | COCCOc1ccc(CNc2nc(C)cc(C)n2)cc1 | [C][O][C][C][O][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S] | c17nc(C)cc(C)n1.c15ccc8cc1.C3C4.CO3.O45.C68.N67 |
1934144 | Cc1ccc(C)c(OCCOc2ccc(C(=O)N(C)C)cc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][O][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.c17ccc8cc1.C4C5.C38=O.N3(C)C.O46.O57 |
1934145 | CN(C)C(=O)c1ccc(OCCOc2ccccc2Cl)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P] | c18ccc6cc1.c17ccccc1Cl.CN3C.C38=O.C4C5.O46.O57 |
1934146 | Cc1cc(CN2CCN(CC(=O)NC3CCCC(C)C3)CC2)on1 | [C][C][C][=C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P][O][N][=Ring2][Ring1][#Branch1] | N15CCN6CC1.C17CCCC(C)C1.Cc1cc8on1.C6C4=O.C58.N47 |
1934147 | CCC(C)c1ccc(NC(=O)CN2CCN(C(=O)N(C)C)CC2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c18ccc7cc1.N16CCN4CC1.CCC8C.C3(=O)C6.C45=O.N5(C)C.N37 |
1934148 | Cc1cc(F)c2c(c1)CCCN2Cc1cccnc1 | [C][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cc(F)c2c(c1)CCCN23.c14cccnc1.C34 |
1934149 | Cc1ccc(-c2n[nH]cc2CNCC(O)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c16ccc(Cl)cc1.c17n[nH]cc15.C4C6O.C35.N34 |
1934150 | Cc1ccc(-c2n[nH]cc2CNCC(O)c2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c16ccc(F)cc1.c17n[nH]cc15.C4C6O.C35.N34 |
1934151 | COc1ccc(C(O)CNCc2c[nH]nc2-c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c13ccc6cc1.c18ccc(C)cc1.c17c[nH]nc18.C6(O)C4.CO3.N45.C57 |
1934153 | Cc1cc(C(=O)N2CCN(C)CC2)c(C)n1C(C)c1ccccc1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][#C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc4c(C)n15.N13CCN(C)CC1.c16ccccc1.C34=O.C56C |
1934154 | CCN1CCN(C(=O)c2cc(C)n(C(C)c3ccccc3)c2C)CC1 | [C][C][N][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][C][C][C][Ring2][Ring1][#Branch1] | c16cc(C)n7c1C.N15CCN4CC1.c18ccccc1.C46=O.C78C.CC5 |
1934155 | CCCNC(=O)C1CCN(C(=O)c2cc(CC)n[nH]2)CC1 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][C][=N][NH1][Ring1][#Branch1][C][C][Ring1][#C] | C17CCN4CC1.c16cc8n[nH]1.CCC5.C37=O.C46=O.N35.C8C |
1934156 | O=C(CN1CCCCC1=O)NCc1cccc(Cn2ccnc2)c1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N] | N16CCCCC1=O.c17cccc8c1.n15ccnc1.O=C3C6.N34.C47.C58 |
1934157 | COCCN1CC(C(=O)NC(C)c2nnc3n2CCC3)CC1=O | [C][O][C][C][N][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][C][=O] | c19nnc2n1CCC2.N18CC7CC1=O.C5C8.C47=O.C69C.CO5.N46 |
1934158 | COCCN(Cc1cccnc1)C(=O)c1cc(C(F)(F)F)n[nH]1 | [C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2] | c18cccnc1.c16cc7n[nH]1.C7(F)(F)F.C3C4.N245.C26=O.CO3.C58 |
1934159 | Cc1cc(C)c2nc(C)cc(C(=O)N3CCOCC(O)C3)c2c1 | [C][C][=C][C][Branch1][C][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2][C][Ring1][P][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c2nc(C)cc5c2c1.N14CCOCC(O)C1.C45=O |
1934160 | FC(F)(F)c1cccc(CN2CCCC(c3ccncn3)C2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][Ring1] | c15cccc6c1.N14CCCC7C1.c17ccncn1.FC5(F)F.C46 |
1934162 | O=C(C1CCC1)N1CCCN(CC(F)(F)F)CC1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] | N12CCCN3CC1.C3C(F)(F)F.C14CCC1.O=C24 |
1934163 | CC(OCC(F)(F)F)C(=O)Nc1cccc2ncccc12 | [C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ncccc12.CC4C3=O.C5C(F)(F)F.O45.N36 |
1934164 | CCOC(C)C(=O)Nc1cccc(-c2csc(C)n2)c1 | [C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N] | c16cccc7c1.c17csc(C)n1.C5(C)C3=O.CC4.O45.N36 |
1934165 | CCc1c(C(=O)N2CCCCCC2)cnn1Cc1ccccc1 | [C][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c4cnn15.N13CCCCCC1.c17ccccc1.C34=O.CC6.C57 |
1934166 | CCc1c(C(=O)N2CC(C)OC(C)C2)cnn1Cc1ccccc1 | [C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CC(C)OC(C)C1.c16c4cnn15.c17ccccc1.C34=O.CC6.C57 |
1934167 | CCN(Cc1ccccc1)C(=O)Cc1c[nH]c2ccc(OC)cc12 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2] | c18c[nH]c2ccc4cc12.c17ccccc1.C3(=O)C8.N356.CC5.C67.O4C |
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