ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1927243 | Cc1ccc(N2CCC3CN(C(=O)c4ccoc4)CC3C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][N][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | N16CCC2CN5CC2C1.Cc1ccc6nn1.c17ccoc1.C57=O |
1927245 | Cc1cnc(N2CCCC3CN(S(C)(=O)=O)CC32)nc1 | [C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][=Branch2][Ring1][=N][N][=C][Ring2][Ring1][Ring1] | N15CCCC2CN4CC21.Cc1cnc5nc1.S4(C)(=O)=O |
1927246 | CC(=O)N1CC2CCCN(c3ncc(C)cn3)C2C1 | [C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][Ring1][S] | N14CC2CCCN5C2C1.c15ncc(C)cn1.CC4=O |
1927247 | O=C1COC2CN(S(=O)(=O)c3ccc(F)cc3)CC2N1 | [O][=C][C][O][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1COC2CN4CC2N1.S4(=O)(=O)c1ccc(F)cc1 |
1927248 | O=C1COC2CN(C(=O)CCc3ccccc3)CC2N1 | [O][=C][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1COC2CN4CC2N1.c15ccccc1.C4(=O)CC5 |
1927249 | O=C1COC2CN(S(=O)(=O)c3cccc(F)c3)CC2N1 | [O][=C][C][O][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1COC2CN4CC2N1.S4(=O)(=O)c1cccc(F)c1 |
1927250 | CCN1C(=O)COC2CN(C(=O)CCc3ccccc3)CC21 | [C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][Ring2][Ring1][Ring2] | N15C(=O)COC2CN4CC21.c16ccccc1.C4(=O)CC6.CC5 |
1927251 | CC(C)CN1C(=O)COC2CN(c3nncs3)CC21 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][#Branch2][Ring1][#C] | N15C(=O)COC2CN4CC21.c14nncs1.CC(C)C5 |
1927254 | COCCN1CCOC2CN(c3ccc(C#N)cc3)CC21 | [C][O][C][C][N][C][C][O][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=N][Ring1][P] | N15CCOC2CN6CC21.c16ccc(C#N)cc1.C4C5.CO4 |
1927255 | COc1cc(N2CC3OCCN(CC4CC4)C3C2)ncn1 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Ring1][=N][=N][C][=N][Ring2][Ring1][Ring1] | N17CC2OCCN6C2C1.c15cc7ncn1.C18CC1.CO5.C68 |
1927256 | O=C(Cc1ccccc1)N1CC2OCCN(CC3CC3)C2C1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][Ring1][=N] | N14CC2OCCN5C2C1.c17ccccc1.O=C4C7.C16CC1.C56 |
1927258 | Cn1cc(CN2CC3OCCN(CC4CCCO4)C3C2)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][C][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N15CC2OCCN6C2C1.Cn1cc8cn1.C17CCCO1.C58.C67 |
1927259 | Cc1noc(C)c1CN1CCOC2CN(Cc3ccoc3)CC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][O][Ring1][#C] | N14CCOC2CN5CC21.Cc1noc(C)c16.c17ccoc1.C46.C57 |
1927260 | Cc1noc(C)c1CN1CCOC2CN(C(=O)C3CCCO3)CC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][N][Ring1][S] | N15CCOC2CN4CC21.Cc1noc(C)c17.C16CCCO1.C46=O.C57 |
1927261 | c1cncc(N2CCOC3CN(Cc4cnc[nH]4)CC32)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Ring1][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | N16CCOC2CN5CC21.c1cncc6c1.c17cnc[nH]1.C57 |
1927262 | O=C(c1ccc(O)cc1)N1CC2OCCN(c3cnccn3)C2C1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16ccc(O)cc1.c15cnccn1.O=C46 |
1927263 | c1cnc(N2CCOC3CN(Cc4cc[nH]n4)CC32)cn1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N16CCOC2CN5CC21.c1cnc6cn1.c17cc[nH]n1.C57 |
1927264 | O=C(c1ccc[nH]1)N1CC2OCCN(c3cnccn3)C2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c15cnccn1.c16ccc[nH]1.O=C46 |
1927265 | O=C(c1ccco1)N1CCOC2CN(c3cccc(F)c3)CC21 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][O][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][N][Ring1][S] | N14CCOC2CN5CC21.c15cccc(F)c1.c16ccco1.O=C46 |
1927266 | O=C(CC1CC1)N1CC2CCN(Cc3cccnc3)C(=O)C2C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=C][C][Ring1][P] | N14CC2CCN5C(=O)C2C1.c17cccnc1.O=C4C6.C16CC1.C57 |
1927267 | O=C1C2CN(c3ncc(F)cn3)CC2CCN1Cc1ccncc1 | [O][=C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][N][C][C][N][Ring1][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1C2CN4CC2CCN15.c14ncc(F)cn1.c16ccncc1.C56 |
1927268 | Cc1cnc(N2CC3CCN(Cc4ccncc4)C(=O)C3C2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][N][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CC2CCN6C(=O)C2C1.Cc1cnc5nc1.c17ccncc1.C67 |
1927269 | O=C(c1cccnc1)N1CC2CCN(c3cccnc3)C(=O)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][Ring1][S] | N14CC2CCN6C(=O)C2C1.c15cccnc1.c16cccnc1.O=C45 |
1927270 | O=C(c1cnccn1)N1CC2CCN(c3cccnc3)C(=O)C2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][Ring1][S] | N14CC2CCN6C(=O)C2C1.c15cnccn1.c16cccnc1.O=C45 |
1927271 | O=C(c1ccnnc1)N1CC2CCN(c3cncnc3)C(=O)C2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][C][Ring1][S] | N14CC2CCN6C(=O)C2C1.c15ccnnc1.c16cncnc1.O=C45 |
1927274 | CCOC1CC2CN(C(=O)c3cnc(C)cn3)CCN2C1 | [C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C16CC2CN4CCN2C1.c17cnc(C)cn1.C47=O.CC5.O56 |
1927275 | C=CCOC1CC2CN(C(=O)c3cnc(C)cn3)CCN2C1 | [C][=C][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][N][Ring1][#C][C][Ring2][Ring1][C] | C16CC2CN4CCN2C1.c17cnc(C)cn1.C=CC5.C47=O.O56 |
1927276 | O=C(c1cnccn1)N1CCC2CN(c3ncccn3)CCOC2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][O][C][Ring1][=N][C][Ring1][P] | N14CCC2CN5CCOC2C1.c16cnccn1.c15ncccn1.O=C46 |
1927277 | CS(=O)(=O)N1CCOC2CN(C(=O)c3ccccc3)CCC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring1] | N15CCOC2CN4CCC2C1.c16ccccc1.CS5(=O)=O.C46=O |
1927278 | Cn1cc(CN2CCOC3C(CO)CCC32)cn1 | [C][N][C][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][#Branch1][Ring1][O][C][=N][Ring1][P] | N14CCOC2C5CCC21.Cn1cc6cn1.C46.C5O |
1927279 | C=CCOCC1CCC2C1OCCN2C(=O)c1ccoc1C | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | C17CCC2C1OCCN23.c16ccoc1C.C=CC4.C36=O.O45.C57 |
1927280 | O=C(c1ccsc1)N1CCOC2C(CNc3ncccn3)CCC21 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][O][C][C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C8CCC21.c16ncccn1.c17ccsc1.O=C47.C58.N56 |
1927281 | c1cncc(NCC2CCC3C2OCCN3Cc2ccoc2)c1 | [C][=C][N][=C][C][Branch2][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=C][O][C][=Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | C17CCC2C1OCCN25.c1cncc6c1.c18ccoc1.N46.C47.C58 |
1927282 | Cc1cnnn1CC1CCC2C1OCCN2C(=O)c1ccco1 | [C][C][=C][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | C16CCC2C1OCCN23.Cc1cnnn15.c14ccco1.C34=O.C56 |
1927283 | CCOCC1CC2OCCN(C(=O)c3ccc[nH]3)C2C1 | [C][C][O][C][C][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=N][C][Ring1][S] | C18CC2OCCN4C2C1.c17ccc[nH]1.C47=O.CC5.O56.C68 |
1927284 | CCOCC1CC2OCCN(C(=O)c3sccc3C)C2C1 | [C][C][O][C][C][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][Ring1][=C][C][Ring1][P] | C18CC2OCCN4C2C1.c17sccc1C.C47=O.CC5.O56.C68 |
1927285 | CCOCC1CC2OCCN(C(=O)c3ccc4c(c3)OCO4)C2C1 | [C][C][O][C][C][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P][C][Ring2][Ring1][Ring2] | C19CC2OCCN5C2C1.c18ccc2c(c1)OCO2.C58=O.CC6.O67.C79 |
1927286 | CCOCC1CC2OCCN(C(=O)c3ccc4ccccc4c3)C2C1 | [C][C][O][C][C][C][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1] | C19CC2OCCN5C2C1.c18ccc2ccccc2c1.C58=O.CC6.O67.C79 |
1927287 | C=CCOCC1CC2OCCN(C(=O)c3ccoc3)C2C1 | [C][=C][C][O][C][C][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N][C][Ring1][S] | C18CC2OCCN4C2C1.c17ccoc1.C=CC5.C47=O.O56.C68 |
1927288 | C=CCOCC1CC2OCCN(C(=O)c3ccc[nH]3)C2C1 | [C][=C][C][O][C][C][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=N][C][Ring1][S] | C18CC2OCCN4C2C1.c17ccc[nH]1.C=CC5.C47=O.O56.C68 |
1927289 | O=C(N1CCCC1)N1CCC2C1CCN2c1nncs1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1] | N14CCC2C1CCN25.N13CCCC1.c15nncs1.O=C34 |
1927291 | COCCN1C(=O)CCC2C1CCN2S(=O)(=O)C1CC1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | N15C(=O)CCC2C1CCN24.S4(=O)(=O)C1CC1.C3C5.CO3 |
1927292 | Cn1cccc1C(=O)NCC1CC2CN(Cc3nccs3)CC2O1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][O][Ring1][=C] | C18CC2CN6CC2O1.Cn1cccc17.c19nccs1.C47=O.N45.C58.C69 |
1927293 | O=C(CO)N1CC2c3ccccc3C(N3CCOCC3)C2C1 | [O][=C][Branch1][Ring1][C][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][C] | N14CC2c3ccccc3C(N3CCOCC3)C2C1.O=C4CO |
1927294 | CCC(=O)N1CC2=C(C1)C1CN(CC)S(=O)(=O)C1CC2 | [C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][Ring2][C][Ring1][Branch1][C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch2][C][C][Ring1][=C] | N13CC2=C(C1)C1CN4S(=O)(=O)C1CC2.CCC3=O.C4C |
1927296 | O=S(=O)(C1CC1)N1CC2CCC(C1)N2Cc1nccs1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=N][C][=C][S][Ring1][Branch1] | N14CC2CCC(C1)N23.O=S4(=O)C1CC1.c15nccs1.C35 |
1927297 | CC(C)CN1CC2CN(C(=O)NCc3ccccc3)CC(C1)O2 | [C][C][Branch1][C][C][C][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch1][C][Ring2][Ring1][C][O][Ring1][P] | N16CC2CN4CC(C1)O2.c18ccccc1.CC(C)C6.C45=O.N57.C78 |
1927299 | CNC(=O)C1CC2CN(C(=O)NC3CCCC3)CC1O2 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][O][Ring1][=C] | C18CC2CN5CC1O2.C17CCCC1.C48=O.C56=O.CN4.N67 |
1927300 | CN(C)C(=O)C1CC2CN(S(=O)(=O)Cc3ccccc3)CC1O2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][O][Ring1][S] | C16CC2CN5CC1O2.c17ccccc1.S5(=O)(=O)C7.CN4C.C46=O |
1927301 | CN(C)C(=O)C1CC2CN(S(=O)(=O)c3cccnc3)CC1O2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][O][Ring1][#C] | C16CC2CN5CC1O2.S5(=O)(=O)c1cccnc1.CN4C.C46=O |
1927302 | N#Cc1cccc(C(=O)N2CC3CCC2C3OCc2ccccn2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | N#Cc1cccc7c1.N14CC2CCC1C26.c18ccccn1.C47=O.O56.C58 |
1927303 | Cn1nc(C#N)c2c1CN(C(=O)CC1CC1)CCC2 | [C][N][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][=N] | Cn1nc(C#N)c2c1CN3CCC2.C3(=O)C4.C14CC1 |
1927304 | Cc1nc(C)c2c(n1)CCN(Cc1ccncc1)CC2 | [C][C][=N][C][Branch1][C][C][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | Cc1nc(C)c2c(n1)CCN3CC2.c14ccncc1.C34 |
1927305 | Cc1nc(N2CCCC2)nc2c1CCN(c1ncc(F)cn1)CC2 | [C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=C] | Cc1nc3nc2c1CCN4CC2.c14ncc(F)cn1.N13CCCC1 |
1927306 | Cc1nc(N2CCCC2)nc2c1CCN(C(=O)c1cnoc1C)CC2 | [C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][#C] | Cc1nc4nc2c1CCN3CC2.c15cnoc1C.N14CCCC1.C35=O |
1927307 | Cc1cnc(N2CCc3nc(N4CCCC4)nc(C)c3CC2)nc1 | [C][C][=C][N][=C][Branch2][Ring1][N][N][C][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][C][C][=C][Ring1][N][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N15CCc2nc6nc(C)c2CC1.Cc1cnc5nc1.N16CCCC1 |
1927308 | Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)C1CC1)CC2 | [C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][=N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N] | Cc1nc5nc2c1CCN3CC2.c15ccc(F)cc1.C34=O.C14CC1 |
1927309 | Cc1ccc(N2CCc3nc(N4CCOCC4)nc(C)c3CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][C][C][=C][Ring1][=N][C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N15CCc2nc6nc(C)c2CC1.Cc1ccc5nn1.N16CCOCC1 |
1927311 | CCc1ncnc2c1CCN(c1ncc(F)cn1)CC2 | [C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][=C] | c14ncnc2c1CCN3CC2.c13ncc(F)cn1.CC4 |
1927312 | CS(=O)(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][C] | N14CCc2ncnc5c2CC1.c15ccc(F)cc1.CS4(=O)=O |
1927313 | Cc1oncc1C(=O)N1CCc2ncnc(-c3ccsc3)c2CC1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=C][Ring1][O][C][C][Ring1][S] | N14CCc2ncnc6c2CC1.Cc1oncc15.c16ccsc1.C45=O |
1927314 | CCCS(=O)(=O)N1CCc2ncnc(-c3ccccc3)c2CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring1][P] | N14CCc2ncnc5c2CC1.CCCS4(=O)=O.c15ccccc1 |
1927315 | O=S(=O)(c1ccccc1)N1CCc2ncnc(NC3CC3)c2CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=N][C][=N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=C][Ring1][#Branch2][C][C][Ring1][#C] | N14CCc2ncnc5c2CC1.O=S4(=O)c1ccccc1.C16CC1.N56 |
1927316 | CC(C)Nc1ncnc2c1CCN(C(=O)c1cccc(C#N)c1)CC2 | [C][C][Branch1][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Ring1][P] | c15ncnc2c1CCN3CC2.c16cccc(C#N)c1.CC4C.C36=O.N45 |
1927317 | COc1ncnc2c1CCN(c1ncccn1)CC2 | [C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | c13ncnc2c1CCN4CC2.c14ncccn1.CO3 |
1927318 | CC(C)Oc1ncnc2c1CCN(Cc1ccncc1)CC2 | [C][C][Branch1][C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c14ncnc2c1CCN5CC2.c16ccncc1.CC3C.O34.C56 |
1927319 | CCN(CC)c1ncnc2c1CCN(C(=O)C1CC=CC1)CC2 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][C][Ring1][=C] | c16ncnc2c1CCN3CC2.C17CC=CC1.N456.C37=O.CC4.C5C |
1927321 | O=C(c1cc[nH]n1)N1CCc2c(CNc3ncccn3)n[nH]c2C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][NH1][C][=Ring1][=N][C][Ring1][P] | N14CCc2c8n[nH]c2C1.c16ncccn1.c17cc[nH]n1.O=C47.C58.N56 |
1927322 | Cn1nc(CNc2ncccn2)c2c1CN(Cc1cccs1)CC2 | [C][N][N][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | Cn1nc6c2c1CN4CC2.c15ncccn1.c17cccs1.C36.N35.C47 |
1927324 | O=C(c1cc[nH]n1)N1CCn2nnc(COCC3CC3)c2C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][#C] | N14CCn2nnc8c2C1.c17cc[nH]n1.O=C47.C19CC1.C58.O56.C69 |
1927325 | O=C(c1ccncc1)N1CCn2nnc(COc3cccnc3)c2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][N][=N][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring1][P] | N14CCn2nnc8c2C1.c17ccncc1.c16cccnc1.O=C47.C58.O56 |
1927326 | O=C(c1ccno1)N1CCn2nnc(COCc3cccnc3)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][N][N][=N][C][Branch1][N][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][C][Ring2][Ring1][C] | N14CCn2nnc8c2C1.c19cccnc1.c17ccno1.O=C47.C58.O56.C69 |
1927327 | O=C(c1cc[nH]n1)N1CCCn2nnc(COCCO)c2C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][=Branch1][C][O][C][C][O][=C][Ring1][#Branch2][C][Ring1][#C] | N13CCCn2nnc7c2C1.c16cc[nH]n1.O=C36.C5CO.C47.O45 |
1927328 | O=C(c1ccc[nH]1)N1CCCn2nnc(COCC3CC3)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S] | N14CCCn2nnc8c2C1.c17ccc[nH]1.O=C47.C19CC1.C58.O56.C69 |
1927329 | c1cncc(N2CCCn3nnc(COCC4CC4)c3C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | N17CCCn2nnc8c2C1.c1cncc7c1.C19CC1.C58.O56.C69 |
1927330 | O=C(C1CCOC1)N1CCCn2nnc(COc3ccccn3)c2C1 | [O][=C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCn2nnc8c2C1.c16ccccn1.C17CCOC1.O=C47.C58.O56 |
1927331 | O=C(c1ccc[nH]1)N1CCCn2nnc(COc3cccnc3)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCn2nnc8c2C1.c16cccnc1.c17ccc[nH]1.O=C47.C58.O56 |
1927333 | Fc1cnc(N2CCn3c(COc4ccccn4)nnc3C2)nc1 | [F][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | N17CCn2c8nnc2C1.Fc1cnc7nc1.c16ccccn1.C58.O56 |
1927335 | CC(C)n1nc(Cn2cccc2)c2c1CN(S(C)(=O)=O)C2 | [C][C][Branch1][C][C][N][N][=C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=Branch2] | n14nc6c2c1CN3C2.n15cccc1.S3(C)(=O)=O.CC4C.C56 |
1927336 | Cc1noc(C)c1CN1CCc2nnc(CO)n2CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][=N][N][=C][Branch1][Ring1][C][O][N][Ring1][#Branch1][C][C][Ring1][N] | N13CCc2nnc4n2CC1.Cc1noc(C)c15.C35.C4O |
1927337 | CCOCc1nnc2n1CCN(C(=O)c1cc[nH]n1)CC2 | [C][C][O][C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][=C] | c17nnc2n1CCN3CC2.c16cc[nH]n1.C36=O.CC4.O45.C57 |
1927338 | O=C(c1cc[nH]n1)N1CCCn2nnc(CNc3cccnc3)c2C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCn2nnc8c2C1.c16cccnc1.c17cc[nH]n1.O=C47.C58.N56 |
1927339 | Cc1nc(CN2CCc3onc(CN4CCOCC4)c3C2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][C][C][O][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N15CCc2onc8c2C1.Cc1nc7cs1.N16CCOCC1.C57.C68 |
1927340 | COCc1nn(C)c2c1CN(C(=O)c1ccno1)CC2 | [C][O][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=N] | c16nn(C)c2c1CN3CC2.c15ccno1.C35=O.CO4.C46 |
1927341 | COCc1nn(CC2CC2)c2c1CN(Cc1ccco1)CC2 | [C][O][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N] | c16nn5c2c1CN4CC2.c17ccco1.C18CC1.CO3.C36.C58.C47 |
1927342 | COCc1nn(CC2CC2)c2c1CN(C(=O)c1ccc[nH]1)CC2 | [C][O][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=N] | c17nn6c2c1CN3CC2.c15ccc[nH]1.C18CC1.C35=O.CO4.C47.C68 |
1927343 | COCc1nn(CC2CC2)c2c1CN(C(=O)c1c[nH]cn1)CC2 | [C][O][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][=N] | c17nn6c2c1CN3CC2.c15c[nH]cn1.C18CC1.C35=O.CO4.C47.C68 |
1927344 | C=CCOCc1nn(CC2CC2)c2c1CN(C(=O)c1ccc[nH]1)CC2 | [C][=C][C][O][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=N] | c18nn7c2c1CN3CC2.c16ccc[nH]1.C=CC4.C19CC1.C36=O.O45.C58.C79 |
1927345 | NC(=O)N1CCc2c(c(COc3cncnc3)nn2CC2CC2)C1 | [N][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][Branch2][C][Branch1][O][C][O][C][=C][N][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1] | N14CCc2c(c8nn27)C1.c16cncnc1.NC4=O.C19CC1.C58.O56.C79 |
1927346 | COCCN1CCc2nnc(CN3CCCC3=O)n2CC1 | [C][O][C][C][N][C][C][C][=N][N][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][Ring1][N][C][C][Ring1][P] | N15CCc2nnc7n2CC1.N16CCCC1=O.C4C5.CO4.C67 |
1927347 | O=C(c1ccsc1)N1CCCn2cnc(CO)c2C1 | [O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][N][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][Ring1][N] | N13CCCn2cnc5c2C1.c14ccsc1.O=C34.C5O |
1927348 | COCc1ncn2c1CN(C(=O)c1ccsc1)CCC2 | [C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][=C] | c16ncn2c1CN3CCC2.c15ccsc1.C35=O.CO4.C46 |
1927349 | CC(C)OCc1ncn2c1CN(C(=O)COc1ccccc1)CCC2 | [C][C][Branch1][C][C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][P] | c18ncn2c1CN3CCC2.c17ccccc1.C3(=O)C6.CC4C.O45.C58.O67 |
1927350 | C=CCOCc1ncn2c1CN(C(=O)c1ccsc1)CCC2 | [C][=C][C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][=C] | c17ncn2c1CN3CCC2.c16ccsc1.C=CC4.C36=O.O45.C57 |
1927352 | c1ccc(OCc2noc3c2CN(c2ncccn2)CC3)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=N][O][C][=C][Ring1][Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][=C][Ring2][Ring1][#Branch1] | c17noc2c1CN6CC2.c1ccc5nc1.c16ncccn1.O45.C47 |
1927353 | COCc1ncn2c1CN(C(=O)Cc1cccs1)CC2 | [C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C] | c15ncn2c1CN3CC2.c16cccs1.C3(=O)C6.CO4.C45 |
1927354 | COCc1ncn2c1CN(S(=O)(=O)c1ccc(C)cc1)CC2 | [C][O][C][C][N][=C][N][C][=Ring1][Branch1][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | c15ncn2c1CN4CC2.S4(=O)(=O)c1ccc(C)cc1.CO3.C35 |
1927355 | Cc1cncc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][#C][=C][Ring2][Ring1][#Branch1] | N15CCn2cnc9c2C1.Cc1cncc8c1.C58=O.C1%10CC1.C69.O67.C7%10 |
1927356 | O=C(Cc1cccc(F)c1)N1CCn2cnc(COCC3CC3)c2C1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][C][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][#C] | N14CCn2cnc7c2C1.c19cccc(F)c1.O=C4C9.C18CC1.C57.O56.C68 |
1927357 | Cc1ccc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | N15CCn2cnc9c2C1.Cc1ccc8cn1.C58=O.C1%10CC1.C69.O67.C7%10 |
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