ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932433 | COCc1ccccc1COC(=O)c1cccnc1 | [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccccc17.c15cccnc1.C25=O.CO3.C36.C47.O24 |
1932434 | CC(C#N)N1CCC(Cn2cc(Br)cn2)CC1 | [C][C][Branch1][Ring1][C][#N][N][C][C][C][Branch1][N][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC5CC1.n14cc(Br)cn1.CC3C#N.C45 |
1932435 | Cc1cc(-n2cccn2)ccc1COC(=O)c1cocn1 | [C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][O][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1] | Cc1cc7ccc16.n17cccn1.c15cocn1.C35=O.C46.O34 |
1932436 | CN(c1cnn(C)c1)S(=O)(=O)c1cc(Cl)cc2c1OCC2 | [C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1] | S3(=O)(=O)c1cc(Cl)cc2c1OCC2.c14cnn(C)c1.CN34 |
1932437 | O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1CCOC1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C][C][C][C][O][C][Ring1][Branch1] | c15ccc7c(Cl)c1.N14CCOCC1.C16CCOC1.O=C36.N35.C47 |
1932438 | CC1(C2CCCN(C(=O)NCCn3cccc3)C2)OCCO1 | [C][C][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][S][O][C][C][O][Ring2][Ring1][Branch1] | C18CCCN4C1.CC18OCCO1.n17cccc1.C45=O.C6C7.N56 |
1932439 | O=C(NC1CCCN(c2cccnc2)C1=O)C1CCC1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][C][C][Ring1][Ring2] | C14CCCN6C1=O.c16cccnc1.C15CCC1.O=C35.N34 |
1932440 | Cc1noc(C)c1CC(=O)N(C)c1ncccc1Br | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1noc(C)c14.c13ncccc1Br.C4C2=O.N23C |
1932441 | O=C(c1cc[nH]n1)N1CCC(c2cccc(C(F)(F)F)c2)C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][#C] | c16cccc5c1.N13CCC6C1.c14cc[nH]n1.C5(F)(F)F.O=C34 |
1932442 | COCc1ccc(C(=O)N2CCCC2c2ccncc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C] | c16ccc5o1.N13CCCC17.c17ccncc1.C35=O.CO4.C46 |
1932443 | O=C(C1CC1c1ccccc1Cl)N1CCCC1c1ccncc1 | [O][=C][Branch1][#C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccccc1Cl.N12CCCC14.c14ccncc1.C13CC15.O=C23 |
1932444 | COc1ccnc(NC(C(N)=O)c2ccccc2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | c13ccnc5n1.c16ccccc1.C46C(N)=O.CO3.N45 |
1932445 | COc1ccnc(Sc2nc(CCC3CCCC3)n[nH]2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring2][S][C][=N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][=N][NH1][Ring1][N][=N][Ring2][Ring1][Ring1] | c14ccnc7n1.c18nc5n[nH]1.C16CCCC1.C5C6.CO4.S78 |
1932447 | O=S(=O)(NCC1CCOc2ccccc2C1)C1CC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][C][Ring1][Ring1] | C15CCOc2ccccc2C1.O=S4(=O)C1CC1.N34.C35 |
1932449 | CC(C)C(Sc1ncnc2ccccc12)C(=O)N1CCCC1 | [C][C][Branch1][C][C][C][Branch1][S][S][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c15ncnc2ccccc12.CC(C)C4C3=O.N13CCCC1.S45 |
1932450 | O=C(c1ccnc(-c2cc(F)cc3cccnc23)c1)N1CCCCC1 | [O][=C][Branch2][Ring1][=N][C][=C][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][=C][Ring1][P][N][C][C][C][C][C][Ring1][=Branch1] | c16cc(F)cc2cccnc12.c15ccnc6c1.N14CCCCC1.O=C45 |
1932451 | CCOc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C] | c19cccc2cn[nH]c12.c16ccc8cc17.C49=O.CC5.O56.N48.O7C |
1932453 | CCNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.C6(F)(F)F.C35=O.CC4.N34 |
1932454 | O=C(NCCO)c1cnc2ccccc2c1C(F)(F)F | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.C6(F)(F)F.O=C35.C4CO.N34 |
1932455 | COC(=O)CNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c16cnc2ccccc2c17.C3(=O)C5.C7(F)(F)F.C46=O.CO3.N45 |
1932456 | CC(=O)NCCNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c17cnc2ccccc2c18.C8(F)(F)F.CC3=O.C5C6.C47=O.N35.N46 |
1932458 | CCNC(=O)CNC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c17cnc2ccccc2c18.C3(=O)C6.C8(F)(F)F.C47=O.CC5.N35.N46 |
1932460 | O=C(Nc1nncs1)C1CCCCN1C(=O)c1cccs1 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C15CCCCN13.c14nncs1.c16cccs1.O=C25.C36=O.N24 |
1932461 | Cc1csc(=O)n1CCC(=O)Nc1ncc(C(N)=O)s1 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2] | Cc1csc(=O)n15.c13ncc4s1.C5CC2=O.C4(N)=O.N23 |
1932462 | O=C(Cc1ccc(O)cc1)Nc1cccc(C#Cc2ccccn2)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][O][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C] | c14cccc(C#Cc2ccccn2)c1.c15ccc(O)cc1.O=C3C5.N34 |
1932463 | COC(=O)CC(C)NC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c16cnc2ccccc2c17.C3(=O)CC5C.C7(F)(F)F.C46=O.CO3.N45 |
1932464 | COc1ccc(OC)c(CC(=O)NCc2ccc(O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18ccc(O)cc1.C7C3=O.CO4.O5C.N36.C68 |
1932465 | Cc1nn(C)c2ncc(C(=O)NCc3ccc(O)cc3)cc12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1nn(C)c2ncc6cc12.c17ccc(O)cc1.C46=O.N45.C57 |
1932466 | O=C(NCc1ccc(O)cc1)c1ccccc1OCC1CCCO1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][O][Ring1][Branch1] | c18ccc(O)cc1.c16ccccc14.C17CCCO1.O=C26.N25.C58.O34.C37 |
1932471 | COC(=O)c1cc(NC(=O)c2ccnc3ccccc23)c(F)cc1F | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][Ring2][F] | c18ccnc2ccccc12.c17cc6c(F)cc1F.C47=O.C58=O.CO4.N56 |
1932473 | CN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(O)cc1 | [C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(F)cc1F.c15ccc(O)cc1.C2(=O)C5.CN23.C34 |
1932474 | COc1cccc(CN(C)c2nc(C)cc(C)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring1][P] | c15nc(C)cc(C)n1.c13cccc6c1.N45C.CO3.C46 |
1932475 | CCOc1ccc(CN(C)c2nc(C)cc(C)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P] | c16nc(C)cc(C)n1.c14ccc7cc1.N56C.CC3.O34.C57 |
1932476 | COc1ccccc1CN(C)c1nc(C)cc(C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c14nc(C)cc(C)n1.c12ccccc15.N34C.CO2.C35 |
1932477 | COc1ccccc1C(C)Nc1nc(C)cc(C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c14nc(C)cc(C)n1.c12ccccc15.C35C.CO2.N34 |
1932478 | Cc1cc(C)nc(NC(C)c2ccc(F)cc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C] | Cc1cc(C)nc4n1.c15ccc(F)cc1F.C35C.N34 |
1932480 | Cc1cc(C)nc(NCc2ccccc2OC(F)F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][Ring2][Ring1][Ring1] | Cc1cc(C)nc5n1.c16ccccc13.O3C(F)F.N45.C46 |
1932481 | CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(O)cc2)n1 | [C][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c14cc6nc5n1.c17ccc(O)cc1.C6(F)(F)F.CN4C.N35.C37 |
1932483 | CC(C)COCCNS(=O)(=O)c1ccc(Cl)c2ncccc12 | [C][C][Branch1][C][C][C][O][C][C][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] | S6(=O)(=O)c1ccc(Cl)c2ncccc12.CC(C)C3.C4C5.O34.N56 |
1932484 | CS(=O)(=O)N(Cc1ccccc1)CC1CCCO1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16ccccc1.C15CCCO1.CS4(=O)=O.N234.C26.C35 |
1932485 | CSc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)ccn1 | [C][S][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][=Branch1] | N15CCCc2ccccc21.c18cc7ccn1.C6C5=O.C47=O.CS8.O46 |
1932486 | CSc1cc(C(=O)OCc2nc(-c3ccsc3)no2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring2] | c18cc6ccn1.c17nc9no1.c19ccsc1.C46=O.CS8.O45.C57 |
1932487 | O=C1CC(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][Branch1] | c17ccc(F)cc1.O=C1CC6CN1.c15c[nH]nc17.C35=O.C46.O34 |
1932488 | Nc1cccc(CNS(=O)(=O)CCC2CCCO2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | Nc1cccc6c1.S4(=O)(=O)CC5.C15CCCO1.C36.N34 |
1932489 | Cc1ccn(Cc2nc(COc3ccc(F)cc3)no2)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][Branch2][C][C][=N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C][#N] | Cc1ccn6c(=O)c1C#N.c15ccc(F)cc1.c17nc8no1.C67.C48.O45 |
1932490 | Cc1ccn(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][#Branch1][C][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C][#N] | Cc1ccn4c(=O)c1C#N.c17ccc(F)cc1.c15nc6no1.C45.C67 |
1932492 | Cc1ccn(Cc2nc3ccc(F)cc3o2)c(=O)c1C#N | [C][C][C][=C][N][Branch2][Ring1][C][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][#N] | Cc1ccn4c(=O)c1C#N.c15nc2ccc(F)cc2o1.C45 |
1932493 | c1cc(OCCC2OCCO2)cc(-c2nnco2)c1 | [C][=C][C][Branch1][O][O][C][C][C][O][C][C][O][Ring1][Branch1][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | c1cc4cc6c1.C15OCCO1.c16nnco1.C3C5.O34 |
1932494 | CN(Cc1nc2ccsc2c(=O)[nH]1)c1ncnc2c1cnn2C | [C][N][Branch2][Ring1][C][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C] | c15nc2ccsc2c(=O)[nH]1.c14ncnc2c1cnn2C.CN34.C35 |
1932495 | COC1CCCC1OC(=O)c1c(-c2ccncc2)noc1C | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c16c7noc1C.C14CCCC15.c17ccncc1.C36=O.CO4.O35 |
1932497 | COc1ccc2ccn(Cc3ccccn3)c(=O)c2c1 | [C][O][C][=C][C][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c14ccc2ccn5c(=O)c2c1.c16ccccn1.CO4.C56 |
1932498 | O=C1c2cccc3cccc(c23)N1CCC1OCCO1 | [O][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][N][C][C][C][O][C][C][O][Ring1][Branch1] | O=C1c2cccc3cccc(c23)N1CC4.C14OCCO1 |
1932499 | O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c16nnc8n17.c15ccc(Cl)cn1.O=C35.C18CC1.C17CC1.N34.C46 |
1932500 | C#CCN1CCC(C(=O)NCc2nnc(C3CC3)n2C2CC2)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch1] | N15CCC7CC1.c18nnc%10n19.C#CC5.C47=O.C1%10CC1.C19CC1.N46.C68 |
1932501 | CC(O)CC1COCCN1C(=O)NCCCc1cccs1 | [C][C][Branch1][C][O][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][S][Ring1][Branch1] | C15COCCN12.c16cccs1.CC(O)C5.C4CC6.C23=O.N34 |
1932502 | CCC1CCCC1NC(=O)N1CCOCC1CC(C)O | [C][C][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][O] | N13CCOCC15.C16CCCC14.C5C(C)O.C23=O.CC6.N24 |
1932503 | Cc1cccc(Cl)c1NC(=O)NCC1CCCO1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1cccc(Cl)c15.C16CCCO1.C23=O.N25.N34.C46 |
1932504 | Cc1nnc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)n1C1CC1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | c17nc2ccsc2c(=O)[nH]1.Cc1nnc6n18.N45C.C18CC1.C46.C57 |
1932505 | COCC(C)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 | [C][O][C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S] | c17ccc8cc1.N16CCN3CC1.C4C5C.C3(C)=O.CO4.N57.C68 |
1932506 | COc1ccc2c(c1)CCCC2CNC(=O)CCc1c(C)n[nH]c1C | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c14ccc2c(c1)CCCC2C5.c16c(C)n[nH]c1C.C3(=O)CC6.CO4.N35 |
1932507 | CC(Cn1cccn1)Nc1cnn(CC(=O)N2CC(C)OC(C)C2)c1 | [C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][=N][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=Ring1][S] | N13CC(C)OC(C)C1.c15cnn7c1.n16cccn1.CC4C6.C7C3=O.N45 |
1932508 | CC(C)(NC(=O)CNC(=O)c1ccc(F)c(F)c1)c1nccs1 | [C][C][Branch1][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][C][=C][S][Ring1][Branch1] | c16ccc(F)c(F)c1.c17nccs1.CC47C.C2(=O)C5.C36=O.N24.N35 |
1932509 | O=C(CNC(=O)c1ccc(F)c(F)c1)NCC(=O)c1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17ccc(F)c(F)c1.c16ccco1.O=C2C4.C5C6=O.C37=O.N34.N25 |
1932510 | Cc1ccc(N(Cc2ccco2)C(=O)CNC(=O)c2ccoc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.c19ccco1.c18ccoc1.C3(=O)C6.N357.C48=O.C59.N46 |
1932511 | O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc2nccnc2c1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2nccnc2c1.c17ccc(F)c(F)c1.O=C3C5.C47=O.N45.N36 |
1932513 | Cc1nc2nc(SC3CCOCC3)[nH]c2cc1Br | [C][C][=N][C][N][=C][Branch1][#Branch2][S][C][C][C][O][C][C][Ring1][=Branch1][NH1][C][=Ring1][N][C][=C][Ring1][S][Br] | Cc1nc2nc4[nH]c2cc1Br.C15CCOCC1.S45 |
1932514 | CCc1cc(-c2nc(Cc3noc(C)n3)no2)cc(=O)[nH]1 | [C][C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][=N][O][Ring1][N][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | c14cc7cc(=O)[nH]1.c17nc5no1.c16noc(C)n1.CC4.C56 |
1932516 | Fc1cc(F)c(NCc2nnc(C3CCC3)o2)c(Br)c1 | [F][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][C][N][C][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] | Fc1cc(F)c5c(Br)c1.c16nnc7o1.C17CCC1.N45.C46 |
1932517 | CC1OCCN(C(=O)c2ncoc2-c2ccc(F)cc2)C1C | [C][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C] | CC1OCCN3C1C.c15ccc(F)cc1.c14ncoc15.C34=O |
1932518 | Cc1ncc(CN2CCOCC2CC(=O)c2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | N13CCOCC15.Cc1ncc6s1.c14ccccc1.C5C4=O.C36 |
1932519 | O=C(CC1COCCN1Cc1ccccn1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14COCCN12.c15ccccn1.c13ccccc1.O=C3C4.C25 |
1932520 | CN(C)c1nc(CN2CCOCC2CC(=O)c2ccccc2)ns1 | [C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring2][Ring1][Branch1] | N13CCOCC16.c14nc7ns1.c15ccccc1.C6C5=O.CN4C.C37 |
1932523 | Cc1cc(C)cc(C(=O)NCC(=O)NC(C)(C)c2nc(C)cs2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cc7cc(C)c1.c18nc(C)cs1.C5C4=O.C68(C)C.C37=O.N35.N46 |
1932524 | CCC(C)(NC(=O)CNC(=O)c1ccccc1C)c1nc(C)cs1 | [C][C][C][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | c16ccccc1C.c17nc(C)cs1.CCC47C.C2(=O)C5.C36=O.N24.N35 |
1932525 | O=S(=O)(c1ccc(Br)cc1F)N1CCC(CO)C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][N][C][C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1] | O=S2(=O)c1ccc(Br)cc1F.N12CCC3C1.C3O |
1932526 | Cc1cc(C)cc(C(=O)NCC(=O)Nc2c(C)ccn(C)c2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][N][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][#Branch1] | c16c(C)ccn(C)c1=O.Cc1cc7cc(C)c1.C5C4=O.C37=O.N35.N46 |
1932527 | CC(NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1nccs1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][C][=N][C][=C][S][Ring1][Branch1] | c16cccc8c1.c18ncn(C)n1.c17nccs1.CC57.C34=O.N35.N46 |
1932528 | CC(NC(=O)Nc1cccc(-c2ncn(C)n2)c1)c1ccccn1 | [C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16cccc8c1.c18ncn(C)n1.c17ccccn1.CC57.C34=O.N35.N46 |
1932529 | Cc1csc(CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][=N][Ring2][Ring1][=Branch1] | c17cccc9c1.Cc1csc8n1.c19ncn(C)n1.C45=O.C68.N46.N57 |
1932532 | COc1ccc(NC(C)=O)c(NCc2nc(-c3cccs3)n[nH]2)c1 | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch2][Ring1][Ring1][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c15ccc7c8c1.c19nc%10n[nH]1.c1%10cccs1.C4(C)=O.CO5.N47.N68.C69 |
1932533 | Cc1nc(CNC(=O)N2CCN(Cc3ccccn3)CC2)oc1C | [C][C][N][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][O][C][=Ring2][Ring1][=Branch1][C] | Cc1nc8oc1C.N15CCN7CC1.c19ccccn1.C45=O.C68.N46.C79 |
1932537 | Cc1cc(Br)ccc1N(C)C(=O)CCc1ccnn1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1cc(Br)ccc13.c14ccnn1C.C2(=O)CC4.N23C |
1932539 | N#Cc1ccc(C(F)(F)F)c(NCCCn2ccnn2)c1 | [N][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][N][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | N#Cc1ccc6c4c1.n15ccnn1.C6(F)(F)F.C3CC5.N34 |
1932540 | CCOc1cc(N2CCN(Cc3nc(C)no3)CC2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][=N][=N][C][=N][Ring2][Ring1][Ring1] | c15cc7ncn1.N17CCN6CC1.c18nc(C)no1.CC4.O45.C68 |
1932541 | CCOc1cc(N(C)Cc2nc(-c3cccnc3)no2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][C][=N][Ring2][Ring1][Ring2] | c15cc7ncn1.c18nc9no1.c19cccnc1.N67C.CC4.O45.C68 |
1932543 | CCOc1cc(N2CC(C)OC(C)(C)C2)ncn1 | [C][C][O][C][=C][C][Branch2][Ring1][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=N][C][=N][Ring1][#C] | N15CC(C)OC(C)(C)C1.c14cc5ncn1.CC3.O34 |
1932545 | CC(=O)NCC(=O)N(CC(C)C)C1CCCc2cccnc21 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2] | N46C1CCCc2cccnc21.C5C4=O.C6C(C)C.CC3=O.N35 |
1932546 | COc1ccc(C(C#N)NC(=O)C(C)c2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c14ccc7c5c1.c18ccccc1.C3(=O)C8C.C67C#N.CO4.N36.O5C |
1932547 | COCCCCS(=O)(=O)N1CCCC(n2cccn2)C1 | [C][O][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][O] | C3CCCS4(=O)=O.N14CCCC5C1.n15cccn1.CO3 |
1932548 | CNC(=O)C(C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c17ccc(F)cc1.c16nc7cs1.C3(=O)C5C.C4(=O)C6.CN3.N45 |
1932551 | Cn1cc(CC(=O)N2CCc3ccccc3C2CO)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][O][C][=N][Ring2][Ring1][Ring2] | N14CCc2ccccc2C1CO.Cn1cc5cn1.C5C4=O |
1932552 | Cc1nn(C)c(C)c1CC(=O)N1CCc2ccccc2C1CO | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][O] | N13CCc2ccccc2C1CO.Cc1nn(C)c(C)c14.C4C3=O |
1932553 | CCc1onc(C)c1C(=O)Nc1cccc(O)c1F | [C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F] | c13cccc(O)c1F.c15onc(C)c14.C24=O.CC5.N23 |
1932554 | CN1CCOC(C(=O)N2CCc3ccccc3C2CO)C1 | [C][N][C][C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][O][C][Ring2][Ring1][Ring2] | N14CCc2ccccc2C1CO.CN1CCOC5C1.C45=O |
1932555 | Cc1cccc(C(=O)NCCC(=O)NCc2ccccn2)c1Cl | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][Cl] | Cc1cccc7c1Cl.c18ccccn1.C5CC4=O.C37=O.N35.N46.C68 |
1932556 | Cc1ccc(Cl)cc1C(=O)NCCC(=O)NCc1ccccn1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1ccc(Cl)cc16.c17ccccn1.C4CC3=O.C26=O.N24.N35.C57 |
1932558 | Cc1cccc(C)c1C(=O)NCCC(=O)NCc1ccccn1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cccc(C)c16.c17ccccn1.C4CC3=O.C26=O.N24.N35.C57 |
1932559 | O=C(CCNC(=O)c1ccc(Cl)c(F)c1)NCc1ccccn1 | [O][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc(Cl)c(F)c1.c17ccccn1.O=C2CC4.C36=O.N34.N25.C57 |
1932560 | Cc1nnc(C[S+]([O-])c2ccc3c(c2)OCCCO3)n1C | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][N][Ring2][Ring1][Ring1][C] | C4[S+]([O-])c1ccc2c(c1)OCCCO2.Cc1nnc4n1C |
1932561 | Cc1cc(C(=O)NC(C)(CO)CO)nc2ccccc12 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | Cc1cc5nc2ccccc12.C4(C)(CO)CO.C35=O.N34 |
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