ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923327 | O=C(c1ccncc1Cl)N1CCN(c2cccc(O)c2)CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15ccncc1Cl.N13CCN4CC1.c14cccc(O)c1.O=C35 |
1923328 | COC(=O)c1ccc(C(=O)NCC(C)Cn2cccn2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1][O][Ring1][P] | c16ccc7o1.C5C(C)C8.n18cccn1.C36=O.C47=O.CO3.N45 |
1923329 | C=CCNc1ncc(C(=O)NCc2nc(-c3cccs3)no2)s1 | [C][=C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | c17ncc8s1.c19nc%10no1.c1%10cccs1.C=CC5.C48=O.N57.N46.C69 |
1923330 | O=C(c1cccc2cc[nH]c12)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][=C][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16cccc2cc[nH]c12.c18ccco1.C17CCCO1.O=C36.N345.C48.C57 |
1923332 | CCNC(=O)N1CCN(c2nc(C)nc3[nH]ccc23)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=N][C][Branch1][C][C][=N][C][NH1][C][=C][C][Ring1][#Branch2][=Ring1][Branch1][C][C][Ring1][S] | c17nc(C)nc2[nH]ccc12.N15CCN7CC1.C45=O.CC6.N46 |
1923333 | Cc1ccc2ncnc(NCCn3cnnc3C(C)C)c2c1 | [C][C][=C][C][=C][N][=C][N][=C][Branch1][S][N][C][C][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][C][C][C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2ncnc5c2c1.n16cnnc17.C4C6.C7(C)C.N45 |
1923334 | Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(C#N)cc3)c2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=N][NH1][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring1][P][C][O][Ring2][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C#N)cc1.c16n[nH]c5c1C.Cc1ccc6o1.N45 |
1923336 | CC(c1cccc(O)c1)N(C)C(=O)CN1CCCCC1=O | [C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15cccc(O)c1.N14CCCCC1=O.C2(=O)C4.CC35.N23C |
1923337 | Cc1ccc(CCC(=O)NCc2nc3cccc(C)c3n2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][O][Ring2][Ring1][=Branch1] | c17nc2cccc(C)c2n1C.Cc1ccc6o1.C6CC4=O.N45.C57 |
1923338 | Cc1cccc2nc(CNC(=O)c3ccc(-n4cnnc4)cc3)n(C)c12 | [C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][N][Branch1][C][C][C][Ring2][Ring1][=Branch2][=Ring2][Ring1][Branch1] | Cc1cccc2nc8n(C)c12.c17ccc9cc1.n19cnnc1.C57=O.C68.N56 |
1923339 | Cc1cccc2nc(CNC(=O)Cc3c(F)cccc3F)n(C)c12 | [C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | Cc1cccc2nc6n(C)c12.c17c(F)cccc1F.C4(=O)C7.C56.N45 |
1923340 | Cc1ccc(C)c(C(=O)NC2CCN(C(=O)c3ccccn3)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][#Branch1] | Cc1ccc(C)c8c1.C16CCN5C1.c17ccccn1.C48=O.C57=O.N46 |
1923341 | O=C(c1ccncc1F)N(CC(O)c1ccc(F)cc1)C1CC1 | [O][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c15ccncc1F.c16ccc(F)cc1.C3C6O.O=C25.N234.C14CC1 |
1923343 | CC(NC(=O)c1cc2ccccc2o1)C(O)c1ccc(F)cc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cc2ccccc2o1.c16ccc(F)cc1.CC4C6O.C35=O.N34 |
1923344 | CC(NC(=O)c1ccc2c(c1)CCO2)C(O)c1ccc(F)cc1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc2c(c1)CCO2.c16ccc(F)cc1.CC4C6O.C35=O.N34 |
1923345 | CCC(NC(=O)C1CCCO1)C(O)c1ccc(C(F)(F)F)cc1 | [C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c15ccc6cc1.CCC3C5O.C14CCCO1.C6(F)(F)F.C24=O.N23 |
1923346 | Cc1cc(CC(=O)N(CC(O)c2ccccc2)C2CC2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring2][Ring1][Branch1] | Cc1cc6n[nH]1.c17ccccc1.C6C3=O.C4C7O.N345.C15CC1 |
1923347 | Cc1cc(C(=O)CN(Cc2cccnc2)CC2CCCO2)c(C)[nH]1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Branch1][C][C][NH1][Ring2][Ring1][#Branch1] | Cc1cc6c(C)[nH]1.c18cccnc1.C17CCCO1.C6(=O)C3.N345.C48.C57 |
1923348 | Cc1cn(CC(C#N)CCC#N)c(=O)n1-c1ccc(Cl)cc1 | [C][C][=C][N][Branch1][O][C][C][Branch1][Ring1][C][#N][C][C][C][#N][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cn2c(=O)n13.C2C(C#N)CCC#N.c13ccc(Cl)cc1 |
1923349 | CC(CC(O)c1ccccc1)Nc1nc2ccccc2c(=O)[nH]1 | [C][C][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O] | c14nc2ccccc2c(=O)[nH]1.CC3CC5O.c15ccccc1.N34 |
1923350 | CC(C)N(C(=O)C#Cc1ccccc1)C1CCOCC1 | [C][C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][C][C][Ring1][=Branch1] | C2(=O)C#Cc1ccccc1.C14CCOCC1.CC3C.N234 |
1923351 | Cc1nc2ccc(N(C)C(=O)c3ccncc3Cl)cc2[nH]1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2] | Cc1nc2ccc5cc2[nH]1.c16ccncc1Cl.N45C.C46=O |
1923352 | CC(CNC(=O)N(C)C1CCC(CO)CC1)c1ccsc1 | [C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][C][=C][S][C][=Ring1][Branch1] | C15CCC6CC1.c17ccsc1.CC7C4.C23=O.N35C.N24.C6O |
1923354 | NC(=O)CN(C(=O)Cc1ccc(O)cc1Cl)C1CCCC1 | [N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl][C][C][C][C][C][Ring1][Branch1] | c15ccc(O)cc1Cl.C14CCCC1.NC(=O)C3.C2(=O)C5.N234 |
1923355 | Cc1cc(N(Cc2ccccc2)CC(O)c2ccco2)ncn1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][=N][C][=N][Ring2][Ring1][=Branch1] | Cc1cc5ncn1.c17ccccc1.c16ccco1.C4C6O.N345.C37 |
1923356 | COc1cc2c(cc1CNc1nccnc1C#N)OC(C)C2 | [C][O][C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][#N][O][C][Branch1][C][C][C][Ring2][Ring1][C] | c13cc2c(cc16)OC(C)C2.c15nccnc1C#N.CO3.C46.N45 |
1923357 | COCCOc1ncccc1NCc1ccccn1 | [C][O][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ncccc16.c17ccccn1.C2C3.CO2.O34.N56.C57 |
1923358 | Cc1cncc(NCc2c[nH]nc2-c2cccs2)c1 | [C][C][=C][N][=C][C][Branch1][P][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | Cc1cncc4c1.c15c[nH]nc16.c16cccs1.N34.C35 |
1923359 | CC(C)c1ncc(C(=O)OCCn2nc3ccccn3c2=O)s1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][S][Ring2][Ring1][Ring2] | n17nc2ccccn2c1=O.c18ncc6s1.CC8C.C46=O.C5C7.O45 |
1923360 | CC(C)c1ncc(C(=O)Nc2c(F)cccc2-n2cccn2)s1 | [C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1][S][Ring2][Ring1][Ring2] | c14c7cccc1F.c16ncc5s1.n17cccn1.CC6C.C35=O.N34 |
1923361 | COc1cc2c(cc1CNC(=O)C(C)c1c(C)noc1C)OC(C)C2 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][O][C][Branch1][C][C][C][Ring2][Ring1][Branch1] | c14cc2c(cc16)OC(C)C2.c17c(C)noc1C.C3(=O)C7C.CO4.C56.N35 |
1923362 | Cc1cc(Sc2nccn2C)ccc1NC(=O)COC1(C)CCC1 | [C][C][=C][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][C][C][C][Ring1][Branch1] | Cc1cc8ccc16.c17nccn1C.C15(C)CCC1.C3(=O)C4.S78.N36.O45 |
1923363 | CN(c1ncnc2[nH]cnc12)C1CCN(CC(F)(F)F)C1=O | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O] | c13ncnc2[nH]cnc12.C14CCN5C1=O.C5C(F)(F)F.CN34 |
1923364 | Cc1cc(C)nc(N(C)C(CCO)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc4n1.c15ccccc1.C35CCO.N34C |
1923365 | CCc1ccc(S(=O)(=O)N2CCCC2C(C)(C)O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring2][Ring1][C] | c15ccc(S3(=O)=O)cc1.N13CCCC14.C4(C)(C)O.CC5 |
1923366 | CC(C)Oc1ccccc1CC(=O)NC1CCCCC12OCCO2 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1] | C16CCCCC12OCCO2.c15ccccc17.C7C3=O.CC4C.O45.N36 |
1923367 | O=c1[nH]c(C2CCCO2)nc2cc(F)c(Oc3ccc(F)cc3)cc12 | [O][=C][NH1][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][C][=C][C][Branch1][C][F][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][Ring1][#C] | O=c1[nH]c6nc2cc(F)c4cc12.c15ccc(F)cc1.C16CCCO1.O45 |
1923369 | Cc1ccc(C(N)=O)cc1OC(=O)c1cc(F)c(F)cc1F | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | c15cc(F)c(F)cc1F.Cc1ccc4cc13.C4(N)=O.C25=O.O23 |
1923370 | Cc1cc(C)nc(NC(=O)c2cc(-c3cccnc3)on2)c1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][N][=Ring1][O][=C][Ring2][Ring1][Branch1] | Cc1cc5nc(C)c1.c16cc7on1.c17cccnc1.C46=O.N45 |
1923371 | CC(NC(=O)c1ccccc1Cl)C(O)Cc1ccccc1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1Cl.CC3C(O)C5.c15ccccc1.C24=O.N23 |
1923373 | O=C(OCc1nc2ccccc2o1)c1n[nH]c(=O)c2ccccc12 | [O][=C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15n[nH]c(=O)c2ccccc12.c16nc2ccccc2o1.O=C35.O34.C46 |
1923374 | CC1CCN(CC(O)CN2CCOCC2)c2ccccc21 | [C][C][C][C][N][Branch1][#C][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CC1CCN3c2ccccc21.N14CCOCC1.C3C(O)C4 |
1923376 | Cc1nnc(-c2cccc(C#N)c2)n1CCN(C)c1ccccc1 | [C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N][Ring1][=N][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(C#N)c1.Cc1nnc6n15.c14ccccc1.C5C3.N34C |
1923377 | COC(=O)C(C)c1c(C)nn(Cc2noc(C(C)C)n2)c1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][=N][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=Ring1][#C][C] | c17c(C)nn4c1C.c15noc6n1.C3(=O)C7C.C6(C)C.CO3.C45 |
1923378 | COC(=O)C(C)c1c(C)nn(Cc2nc(C)no2)c1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][=N][N][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=Ring1][=N][C] | c16c(C)nn4c1C.c15nc(C)no1.C3(=O)C6C.CO3.C45 |
1923379 | O=C(Nc1ncccn1)C1CCN(c2ccc3nccn3n2)CC1 | [O][=C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Ring1][#C] | c16ccc2nccn2n1.C17CCN6CC1.c15ncccn1.O=C47.N45 |
1923380 | c1ccc(-n2nc(CNc3ccc4nccn4n3)c3c2CCC3)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][Branch1][S][C][N][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][=C][Ring1][S][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] | n18nc7c2c1CCC2.c16ccc2nccn2n1.c1ccc8cc1.C57.N56 |
1923382 | O=C(CC1CCCCC1)NC1CCN(c2ccc3nccn3n2)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][=C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][C][Ring1][#C] | c15ccc2nccn2n1.C16CCN5CC1.C17CCCCC1.O=C4C7.N46 |
1923384 | CC(=O)N(C)c1ccc(NCc2cccc(-c3ccccn3)c2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.c18cccc9c1.c19ccccn1.CC4=O.N46C.N57.C58 |
1923385 | Cc1cc(O)c(C(C)C)cc1NC(=O)c1nccn2ccnc12 | [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][N][C][=C][N][=C][Ring1][=Branch2][Ring1][Branch1] | Cc1cc(O)c6cc14.c15nccn2ccnc12.C6(C)C.C35=O.N34 |
1923386 | Cc1cc(O)c(C(C)C)cc1NC(=O)c1c(C)nn2cccnc12 | [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1] | c15c(C)nn2cccnc12.Cc1cc(O)c6cc14.C6(C)C.C35=O.N34 |
1923390 | Cc1ccc(N2CCCC2COC(=O)c2n[nH]c3c2CCCC3)nn1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][C][C][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2] | c17n[nH]c2c1CCCC2.Cc1ccc6nn1.N16CCCC18.C47=O.C58.O45 |
1923391 | C#Cc1cccc(N(CC)CC(=O)NCC2CCCO2)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | C#Cc1cccc7c1.C18CCCO1.C5C3=O.N457.C4C.N36.C68 |
1923392 | Cc1ccccc1OCCN1CCC2(C1)OCCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1] | N15CCC2(C1)OCCO2.Cc1ccccc14.C3C5.O34 |
1923393 | CN(Cc1ccncc1)C(c1ccccc1)c1ccccn1 | [C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccncc1.c16ccccc1.c14ccccn1.CN23.C346.C25 |
1923394 | CN1CCN(CC(O)COCC2CCCO2)c2ccc(F)cc21 | [C][N][C][C][N][Branch1][S][C][C][Branch1][C][O][C][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | CN1CCN5c2ccc(F)cc21.C5C(O)C3.C16CCCO1.O34.C46 |
1923396 | Cn1cc(C#N)cc1C(=O)N1CCCC1C(C)(C)O | [C][N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O] | Cn1cc(C#N)cc13.N12CCCC14.C4(C)(C)O.C23=O |
1923397 | Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCC1C(C)(C)O | [C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O] | Cc1nc6sc14.c17ccccc1.N13CCCC15.C5(C)(C)O.C34=O.C67 |
1923398 | CC(=O)NCc1ccc(C(=O)NCC2(C)OCCO2)cc1 | [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][=C][Ring1][S] | c19ccc7cc1.C18(C)OCCO1.CC3=O.C47=O.N35.C59.N46.C68 |
1923399 | COCCS(=O)(=O)c1ccc(C(=O)NCC2(C)OCCO2)cc1 | [C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][=C][Ring1][S] | C4CS(=O)(=O)c1ccc6cc1.C17(C)OCCO1.C36=O.CO4.N35.C57 |
1923401 | O=C(NC(c1ccccc1)c1cccnc1)C1OCCc2ccccc21 | [O][=C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | O=C3C1OCCc2ccccc21.c15ccccc1.c16cccnc1.C456.N34 |
1923402 | CCC(NC(=O)C1CCc2nnc(C)n2C1)c1c(C)nn(C)c1C | [C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | C15CCc2nnc(C)n2C1.c16c(C)nn(C)c1C.CCC46.C35=O.N34 |
1923403 | CC(CNC(=O)c1ccn2cncc2c1)Cn1cccn1 | [C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1] | c15ccn2cncc2c1.CC(C4)C6.n16cccn1.C35=O.N34 |
1923404 | O=S(=O)(Cc1cccc(F)c1)N1CCCC(CO)C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2] | c14cccc(F)c1.N12CCCC3C1.O=S2(=O)C4.C3O |
1923405 | CC(CO)NS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc(Cl)c2ncccc12.CC3CO.N34 |
1923406 | O=S(=O)(Cc1ccc(Br)cc1)NCC1(O)CCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1] | c15ccc(Br)cc1.C14(O)CCCC1.O=S3(=O)C5.N23.C24 |
1923407 | O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCC1(O)CCCC1 | [O][=S][=Branch1][C][=O][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][Branch1][C][O][C][C][C][C][Ring1][=Branch1] | c15cccc6c1.C14(O)CCCC1.O=S3(=O)C5.C6(F)(F)F.N23.C24 |
1923408 | CC(C)CC(CO)NS(=O)(=O)c1cccc2cccnc12 | [C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2cccnc12.CC(C)CC3CO.N34 |
1923409 | Cc1ccc2cccc(S(=O)(=O)N(C)Cc3ccc(O)cc3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | Cc1ccc2cccc(S5(=O)=O)c2n1.c16ccc(O)cc1.N45C.C46 |
1923410 | CCCN(CC1CC1)S(=O)(=O)N1CCCC1CO | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O] | N23S(=O)(=O)N1CCCC14.CCC2.C15CC1.C35.C4O |
1923411 | O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCCC1CO | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][C][Ring1][Branch1][C][O] | O=S2(=O)c1c4cccc1Cl.N12CCCC13.C4(F)(F)F.C3O |
1923412 | Nc1c(Cl)cc(S(=O)(=O)N2CCCC2CO)cc1Cl | [N][C][=C][Branch1][C][Cl][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][=C][Ring1][P][Cl] | Nc1c(Cl)cc(S3(=O)=O)cc1Cl.N13CCCC14.C4O |
1923413 | Cn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | Cn1cc(S4(=O)=O)cn1.c15ccccc1.C3C(O)C5.N34 |
1923414 | Cc1cc(S(=O)(=O)N2CCC(O)C2)c(C)cc1Br | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][=C][Branch1][C][C][C][=C][Ring1][S][Br] | Cc1cc(S3(=O)=O)c(C)cc1Br.N13CCC(O)C1 |
1923415 | O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC(O)C1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | O=S2(=O)c1ccc(F)cc13.N12CCC(O)C1.C3(F)(F)F |
1923416 | CCCN(CC1CC1)S(=O)(=O)N1CCC(O)C1 | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | N23S(=O)(=O)N1CCC(O)C1.CCC2.C14CC1.C34 |
1923417 | Cc1ccc(S(=O)(=O)N2CCC(O)C2)c(F)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][S] | Cc1ccc(S3(=O)=O)c(F)c1.N13CCC(O)C1 |
1923418 | O=S(=O)(c1cc(F)c(F)cc1F)N1CCC(O)C1 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | O=S2(=O)c1cc(F)c(F)cc1F.N12CCC(O)C1 |
1923419 | Cc1cc(Br)cc(C)c1S(=O)(=O)N1CCC(O)C1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | Cc1cc(Br)cc(C)c1S2(=O)=O.N12CCC(O)C1 |
1923420 | O=S(=O)(Cc1ccccc1)Nc1cccc(C(F)(F)F)n1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2] | c13cccc4n1.c15ccccc1.O=S2(=O)C5.C4(F)(F)F.N23 |
1923421 | O=S(=O)(Cc1ccon1)N(CCCO)C1CCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][C][C][=C][O][N][=Ring1][Branch1][N][Branch1][Branch1][C][C][C][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N34C1CCc2ccccc21.O=S4(=O)C5.c15ccon1.C3CCO |
1923422 | CC(C)CCC(C)(O)CNS(=O)(=O)c1c[nH]c2ncccc12 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | S4(=O)(=O)c1c[nH]c2ncccc12.CC(C)CCC(C)(O)C3.N34 |
1923423 | Cn1cc(S(=O)(=O)NCC(C)(O)c2ccsc2)cn1 | [C][N][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][C][=N][Ring2][Ring1][C] | Cn1cc(S4(=O)=O)cn1.C3C5(C)O.c15ccsc1.N34 |
1923424 | N#Cc1ccc(S(=O)(=O)NCC2CCCC(O)C2)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | N#Cc1ccc(S4(=O)=O)cc1.C15CCCC(O)C1.N34.C35 |
1923425 | Cc1ccc(S(=O)(=O)NCC2CCCC(O)C2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][Cl] | Cc1ccc(S4(=O)=O)cc1Cl.C15CCCC(O)C1.N34.C35 |
1923426 | Cc1ccc(C(C)(O)CNS(=O)(=O)C2=Cc3ccccc3CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][C][Branch1][C][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][O][Ring2][Ring1][#Branch1] | S5(=O)(=O)C1=Cc2ccccc2CC1.Cc1ccc6o1.C6(C)(O)C4.N45 |
1923427 | O=S(=O)(c1ccc(F)cc1Cl)N1CCC(O)(C(F)(F)F)C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2] | O=S2(=O)c1ccc(F)cc1Cl.N12CCC3(O)C1.C3(F)(F)F |
1923428 | Cn1cc(S(=O)(=O)NCCC(O)c2ccccc2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | Cn1cc(S4(=O)=O)cn1.c15ccccc1.C3CC5O.N34 |
1923429 | O=S(=O)(NCC1(CO)CC1)c1c(F)cccc1Br | [O][=S][=Branch1][C][=O][Branch1][N][N][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br] | O=S3(=O)c1c(F)cccc1Br.C145CC1.N23.C24.C5O |
1923430 | CC(C)C(CO)NS(=O)(=O)c1cccc2ncccc12 | [C][C][Branch1][C][C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | S4(=O)(=O)c1cccc2ncccc12.CC(C)C3CO.N34 |
1923431 | CC(O)C1CCCN(S(=O)(=O)N2CCCCCC2)C1 | [C][C][Branch1][C][O][C][C][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S] | C13CCCN(S(=O)(=O)N2CCCCCC2)C1.CC3O |
1923432 | CC(O)C1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 | [C][C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring2][Ring1][C] | c15cccc(C#N)c1.C14CCCN3C1.S3(=O)(=O)C5.CC4O |
1923433 | CC(O)CC1CCCN1C(=O)Nc1ccnn1C(C)C | [C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C] | C16CCCN12.c14ccnn15.CC(O)C6.C23=O.C5(C)C.N34 |
1923437 | CNC(=O)c1cccc(CCC(=O)N2CCC(n3cccn3)CC2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][O][=C][Ring2][Ring1][Branch1] | c16cccc7c1.N15CCC8CC1.C7CC5=O.n18cccn1.C46=O.CN4 |
1923438 | Cc1cc(OCc2nnc(-c3cccs3)o2)c(C#N)c(C)n1 | [C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | Cc1cc5c(C#N)c(C)n1.c16nnc7o1.c17cccs1.O45.C46 |
1923441 | O=C(Cc1ccccn1)N1CCN(c2cnc3ccccc3n2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][S] | c15cnc2ccccc2n1.N14CCN5CC1.c16ccccn1.O=C4C6 |
1923442 | N#CCCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cnc1N | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N] | S4(=O)(=O)c1cc(Cl)cnc1N.c15ccco1.N#CCC2.N234.C35 |
1923443 | Cn1nccc1CNS(=O)(=O)c1cc(Cl)cnc1N | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N] | S3(=O)(=O)c1cc(Cl)cnc1N.Cn1nccc14.C24.N23 |
1923444 | COc1ccc2nc(C3CC3)cc(C(=O)NCc3noc(C)n3)c2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2nc9cc7c2c1.c18noc(C)n1.C19CC1.C47=O.CO5.N46.C68 |
1923445 | CC(c1ccco1)N(C)S(=O)(=O)c1cc(Cl)cnc1N | [C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N] | S3(=O)(=O)c1cc(Cl)cnc1N.c14ccco1.CC24.N23C |
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