ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1923446 | COC(=O)Cc1ccccc1CN(C)c1c(C)noc1C | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c15ccccc16.c14c(C)noc1C.C2(=O)C5.N34C.CO2.C36 |
1923447 | NC(=O)C1CCC(CNC(=O)CCc2ccc(F)cc2F)O1 | [N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][Ring2][Ring1][Ring1] | c17ccc(F)cc1F.C15CCC6O1.C3(=O)CC7.NC5=O.C46.N34 |
1923448 | Cc1nnc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1 | [C][C][=N][N][=C][Branch2][Ring1][P][C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch2] | N15CCN(C2c3ccccc3-c3ccccc32)CC1.Cc1nnc6o1.C56 |
1923450 | O=C(c1cc[nH]c(=O)c1)N1CCCCCC1CC(O)c1ccco1 | [O][=C][Branch1][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | N12CCCCCC14.c13cc[nH]c(=O)c1.c15ccco1.C4C5O.O=C23 |
1923451 | Cc1noc(C)c1C(C)CNC(=O)Nc1cccc2cccnc12 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2cccnc12.Cc1noc(C)c17.C7(C)C5.C34=O.N35.N46 |
1923452 | Cc1noc(C)c1C(C)CNC(=O)N1CCCC(CC(N)=O)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][#Branch2] | Cc1noc(C)c16.N13CCCC5C1.C6(C)C4.C5C(N)=O.C23=O.N24 |
1923453 | Cc1cc(NC(=O)N2CCC(C)CC(C)C2)n(Cc2ccccn2)n1 | [C][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][=Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] | N14CCC(C)CC(C)C1.Cc1cc5n6n1.c17ccccn1.C34=O.N35.C67 |
1923454 | Cc1noc(C)c1C(C)CNC(=O)C1CCCN(CC(F)(F)F)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O] | Cc1noc(C)c16.C15CCCN4C1.C4C(F)(F)F.C6(C)C3.C25=O.N23 |
1923455 | Cc1cn2c(CCC(=O)NCC(C)c3c(C)noc3C)csc2n1 | [C][C][=C][N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][S][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch1] | Cc1cn2c6csc2n1.c17c(C)noc1C.C6CC4=O.C5C7C.N45 |
1923456 | Cc1cc(C(=O)NCC(C)c2c(C)noc2C)[nH]c(=O)n1 | [C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][NH1][C][=Branch1][C][=O][N][=Ring2][Ring1][Ring2] | Cc1cc5[nH]c(=O)n1.c16c(C)noc1C.C4C6C.C35=O.N34 |
1923457 | Cc1noc(C)c1C(C)CNC(=O)COc1ccccc1O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cc1noc(C)c16.c14ccccc1O.C6(C)C5.C2(=O)C3.N25.O34 |
1923459 | CCOc1cc(Cl)ccc1CNC(=O)CN1CCCCC1=O | [C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c14cc(Cl)ccc17.N16CCCCC1=O.C2(=O)C6.CC3.O34.C57.N25 |
1923460 | O=C(c1ccc2nccnc2c1)N1CCC(C2CCOCC2)CC1 | [O][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N] | N13CCC(C2CCOCC2)CC1.c14ccc2nccnc2c1.O=C34 |
1923461 | CN(C)c1ncc(NC(=O)CC2(O)CCCCC2)cn1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][=N][Ring1][P] | c14ncc5cn1.C16(O)CCCCC1.C3(=O)C6.CN4C.N35 |
1923462 | Cc1nc(C(=O)OCC2CN(Cc3ccccc3)CCO2)c(C)s1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][=C][Branch1][C][C][S][Ring2][Ring1][#Branch1] | Cc1nc7c(C)s1.C18CN6CCO1.c19ccccc1.C47=O.O45.C58.C69 |
1923463 | CC(O)CC1CCCN1C(=O)c1cccc2[nH]ccc12 | [C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] | c14cccc2[nH]ccc12.C15CCCN13.CC(O)C5.C34=O |
1923464 | O=C(NCc1ccc(F)c(CO)c1)C1CCCN(CC(F)(F)F)C1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O] | c16ccc(F)c7c1.C15CCCN4C1.C4C(F)(F)F.O=C25.N23.C36.C7O |
1923465 | CC[S+]([O-])c1ccccc1C(=O)NCC1(O)CCc2ccccc21 | [C][C][S+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C4C1(O)CCc2ccccc21.CC[S+]([O-])c1ccccc15.C35=O.N34 |
1923466 | Cn1ncc2c(Nc3ncc(-c4ccccc4)s3)ncnc21 | [C][N][N][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | Cn1ncc2c5ncnc21.c16ncc7s1.c17ccccc1.N56 |
1923467 | CC(OCC(O)CNc1ncnc2ncccc12)c1ccccc1 | [C][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][=N][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ncnc2ncccc12.c17ccccc1.C4C(O)C5.CC37.O34.N56 |
1923468 | CC(C)N(CC(C)(C)O)C(=O)NCCc1cccc2cccnc12 | [C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c18cccc2cccnc12.C6C(C)(C)O.CC5C.N356.C34=O.C7C8.N47 |
1923469 | Cc1noc(C)c1C(C)CNC(=O)NC1c2ccccc2CC1O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O] | N4C1c2ccccc2CC1O.Cc1noc(C)c16.C6(C)C5.C34=O.N35 |
1923470 | O=C(NCC1(C2CC2)CC1)N1CCCN(CC(F)(F)F)CC1 | [O][=C][Branch1][#C][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] | N14CCCN6CC1.C17(C2CC2)CC1.C6C(F)(F)F.O=C34.N35.C57 |
1923472 | CN(Cc1cc(Br)cs1)C(=O)c1cccc(F)n1 | [C][N][Branch1][N][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] | c14cccc(F)n1.c15cc(Br)cs1.CN23.C24=O.C35 |
1923473 | Cc1cccc(C(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][S][=N][Ring2][Ring1][Branch2] | c18nc2ccccc2[nH]1.Cc1cccc7n1.N15CCN6CC1.C57=O.C68 |
1923474 | CCc1ccc(C(=O)NC(C)CC(=O)c2cccs2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][C] | c17ccc5o1.C4(C)CC6=O.c16cccs1.C35=O.CC7.N34 |
1923475 | Cc1cc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)ncn1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][=N][Ring2][Ring1][=Branch1] | c17nc2ccccc2[nH]1.Cc1cc6ncn1.C5CC7.C46=O.N45C |
1923476 | Cc1nnccc1C(=O)N(C1CC1)C(C)c1ccc(Cl)cc1 | [C][C][=N][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nnccc15.c16ccc(Cl)cc1.C25=O.N234.C14CC1.C36C |
1923477 | CC(C(=O)NC1CC1)N1CCN(C(=O)NCCC2=CCCC2)CC1 | [C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][Ring1][Branch1][C][C][Ring1][S] | N16CCN4CC1.C7CC1=CCCC1.CC6C3=O.C18CC1.C45=O.N38.N57 |
1923478 | CCN(Cc1cccc2c1OCO2)C(=O)c1ccc2c(c1)ncn2C | [C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C] | c16ccc2c(c1)ncn2C.c17cccc2c1OCO2.N345.C36=O.CC4.C57 |
1923479 | COc1cc(F)c(C(=O)NCCC2=CCCC2)cc1OC | [C][O][C][=C][C][Branch1][C][F][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][O][C] | c14cc(F)c7cc15.C6CC1=CCCC1.C37=O.CO4.N36.O5C |
1923480 | CN1CC(C(=O)NC(CC2CCOC2)c2ccccc2)CC1=O | [C][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=O] | CN1CC5CC1=O.c17ccccc1.C16CCOC1.C47C6.C35=O.N34 |
1923481 | c1ccc2c(c1)CCC21CN(CCc2ccncc2)CCO1 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][N][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][O][Ring1][=C] | c1ccc2c(c1)CCC21CN3CCO1.c14ccncc1.C3C4 |
1923482 | CS(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCC2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][Ring1][Branch1][=C][Ring1][P] | CS(=O)(=O)c1ccc(F)c5c1.C4CC1=CCCC1.C35=O.N34 |
1923483 | O=C(Nc1nc(N2CCOCC2)ns1)c1cc2ccccc2[nH]1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][S][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16cc2ccccc2[nH]1.c14nc5ns1.N15CCOCC1.O=C36.N34 |
1923484 | O=C(NCCC1=CCCC1)N1CCCN(CC(F)(F)F)CC1 | [O][=C][Branch1][O][N][C][C][C][=C][C][C][C][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] | N13CCCN5CC1.C4CC1=CCCC1.C5C(F)(F)F.O=C23.N24 |
1923485 | C#CCN(CC1CC1)C(=O)c1ccn2cncc2c1 | [C][#C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c16ccn2cncc2c1.C#CC4.N345.C17CC1.C36=O.C57 |
1923486 | Cc1[nH]c(=O)ccc1C(=O)NC(CC1CCOC1)c1ccccc1 | [C][C][NH1][C][=Branch1][C][=O][C][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1[nH]c(=O)ccc14.c16ccccc1.C15CCOC1.C36C5.C24=O.N23 |
1923487 | Cc1cc(N(CC2CCC2)S(=O)(=O)c2cccc(C#N)c2)no1 | [C][C][=C][C][Branch2][Ring1][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][O][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1cccc(C#N)c1.Cc1cc5no1.C16CCC1.N345.C36 |
1923489 | Fc1ccc(Cl)cc1CNc1cccc(Cn2cnnc2)c1 | [F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][N] | Fc1ccc(Cl)cc16.c14cccc7c1.n15cnnc1.C36.N34.C57 |
1923490 | Cn1ncnc1CCNCc1cc(Cl)ccc1F | [C][N][N][=C][N][=C][Ring1][Branch1][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F] | c15cc(Cl)ccc1F.Cn1ncnc14.C4C2.N23.C35 |
1923491 | N#Cc1cc(F)ccc1NC(=O)NCCc1ccc(O)cc1 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | N#Cc1cc(F)ccc15.c16ccc(O)cc1.C23=O.C4C6.N25.N34 |
1923492 | COc1csc(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)c1 | [C][O][C][=C][S][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c17ccc9cc1.c15csc8c1.c19nnc6o1.C48=O.N6(C)C.CO5.N47 |
1923493 | Cn1cc(C(=O)CC2CCCN2C(=O)c2noc3c2CCCC3)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2] | c15noc2c1CCCC2.Cn1cc6cn1.C17CCCN14.C6(=O)C7.C45=O |
1923494 | CC(=O)N(C)CCc1nc(-c2ccc(NC(N)=O)cc2)cs1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][=C][S][Ring1][#C] | c18ccc6cc1.c17nc8cs1.CC3=O.N35C.C5C7.C4(N)=O.N46 |
1923495 | CCc1sc(CCN(C)C(C)=O)nc1-c1ccccc1 | [C][C][C][S][C][Branch1][N][C][C][N][Branch1][C][C][C][Branch1][C][C][=O][=N][C][=Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14sc5nc16.c16ccccc1.C5C3.N23C.C2(C)=O.CC4 |
1923496 | Cc1noc(C)c1C(C)Cc1nc(CNC(=O)c2ccccc2)no1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][#C] | Cc1noc(C)c18.c16nc7no1.c15ccccc1.C8(C)C6.C35=O.C47.N34 |
1923497 | Cc1ccsc1CN(C)CCS(=O)(=O)c1cccc(C#N)c1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][Branch1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2] | C3CS(=O)(=O)c1cccc(C#N)c1.Cc1ccsc14.N23C.C24 |
1923498 | CC(C)n1cnc(S(=O)(=O)N2CCCC2c2cccs2)c1 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | n14cnc(S3(=O)=O)c1.N13CCCC15.c15cccs1.CC4C |
1923499 | CC(CNS(=O)(=O)C1CCOCC1)c1nc2ccccc2s1 | [C][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | S4(=O)(=O)C1CCOCC1.c15nc2ccccc2s1.CC5C3.N34 |
1923501 | CC(NC(=O)C(OC(C)(C)C)c1ccccc1)c1cnn(C)c1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c17ccccc1.c16cnn(C)c1.C2(=O)C37.C4(C)(C)C.CC56.N25.O34 |
1923502 | c1ccc(CSc2cncc(NC3CCCn4ncnc43)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][S][C][=C][N][=C][C][Branch1][#C][N][C][C][C][C][N][N][=C][N][=C][Ring1][Branch1][Ring1][=Branch2][=N][Ring1][S][C][=C][Ring2][Ring1][Branch2] | N6C1CCCn2ncnc21.c18cncc6n1.c1ccc7cc1.C57.S58 |
1923503 | COc1ccc2cccc(CC(=O)NC(C)CCn3cncn3)c2c1 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2cccc8c2c1.C6(C)CC7.n17cncn1.C8C4=O.CO5.N46 |
1923504 | Cc1ccc(CC(=O)N2CCCC2CC(=O)c2cccs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][Branch1] | Cc1ccc6o1.N13CCCC15.c14cccs1.C6C3=O.C5C4=O |
1923505 | OCCOc1ccc(NCc2c[nH]nc2-c2cccs2)cn1 | [O][C][C][O][C][=C][C][=C][Branch1][P][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring2][Ring1][C] | c14ccc6cn1.c17c[nH]nc18.c18cccs1.OCC3.O34.N56.C57 |
1923506 | OCCOc1ccc(NCc2ccc3c(c2)CCO3)cn1 | [O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][Ring1][P] | c18ccc2c(c1)CCO2.c15ccc7cn1.OCC4.O45.N67.C68 |
1923507 | CC(Cc1ccccc1Cl)C(=O)NCC1CCC(C(N)=O)O1 | [C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][O][Ring1][Branch2] | c16ccccc1Cl.CC(C6)C2=O.C15CCC4O1.C4(N)=O.N23.C35 |
1923508 | COc1ccc2cccc(CC(=O)NCC(O)c3cnn(C)c3)c2c1 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c15ccc2cccc7c2c1.c18cnn(C)c1.C7C4=O.C6C8O.CO5.N46 |
1923510 | Cc1nc(N2CCN(C(=O)NC(C)c3ccncc3)CC2)sc1C | [C][C][N][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][P][S][C][=Ring2][Ring1][=Branch1][C] | Cc1nc7sc1C.N17CCN4CC1.c18ccncc1.C45=O.C68C.N56 |
1923511 | CC1COCCN1C(=O)NCCC1=CCOCC1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][O][C][C][Ring1][=Branch1] | C4CC1=CCOCC1.CC1COCCN12.C23=O.N34 |
1923512 | Cc1cc(CC(=O)N2CCC(Oc3ccccc3Cl)CC2)n[nH]1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][=N][NH1][Ring2][Ring1][=Branch1] | N14CCC5CC1.c16ccccc1Cl.Cc1cc7n[nH]1.C7C4=O.O56 |
1923513 | Cc1nc(N2CCN(C(=O)c3csnn3)CC2)sc1C | [C][C][N][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][C][Ring1][=N][S][C][=Ring2][Ring1][C][C] | Cc1nc5sc1C.N15CCN4CC1.c16csnn1.C46=O |
1923514 | COc1cccc2c1CCCCN2C(=O)c1cnccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14cccc2c1CCCCN23.c15cnccn1.C35=O.CO4 |
1923515 | COc1cccc2c1CCCCN2C(=O)c1ccncc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c14cccc2c1CCCCN23.c15ccncc1F.C35=O.CO4 |
1923516 | CCN(CCc1nccs1)C(=O)c1cc(Br)c[nH]1 | [C][C][N][Branch1][#Branch2][C][C][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1] | c15cc(Br)c[nH]1.c16nccs1.N234.C4C6.C25=O.CC3 |
1923517 | Cc1ccc(Cn2cccc(NC(=O)c3csnn3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | n17cccc5c1=O.Cc1ccc8cc1.c16csnn1.C46=O.C78.N45 |
1923518 | Cc1ccc(Cn2cccc(NC(=O)c3ccsc3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | n17cccc5c1=O.Cc1ccc8cc1.c16ccsc1.C46=O.C78.N45 |
1923519 | Cc1nonc1C(=O)Nc1cccc(-c2ncco2)c1 | [C][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][=C][Ring1][O] | c14cccc6c1.Cc1nonc15.c16ncco1.C35=O.N34 |
1923521 | CN(C(=O)CCC(C)(C)c1ccccc1)c1ncccc1F | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][F] | C2(=O)CCC4(C)C.c13ncccc1F.c14ccccc1.CN23 |
1923522 | Cc1cnc(NC(=O)c2nc3nccc(C)n3n2)c(Br)c1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][Ring2] | c16nc2nccc(C)n2n1.Cc1cnc5c(Br)c1.C46=O.N45 |
1923523 | COC(C(=O)N(Cc1ccccc1)CC(F)F)c1ccccc1 | [C][O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1.c16ccccc1.C36C2=O.C5C(F)F.N245.CO3.C47 |
1923524 | CC(C)(C)OC(C(=O)NC1C=CC(CO)C1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15C=CC6C1.c17ccccc1.C47C2=O.CC3(C)C.O34.N25.C6O |
1923525 | CCc1n[nH]c(=O)c(CNC(=O)NCC#Cc2ccccc2)c1CC | [C][C][C][=N][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C][C] | c17n[nH]c(=O)c8c19.C6C#Cc1ccccc1.C34=O.CC7.C58.N35.N46.C9C |
1923526 | Cc1nc(CCNC(=O)N(C)C(C)Cc2ccc(O)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][S][Ring2][Ring1][=Branch1] | c18ccc(O)cc1.Cc1nc7cs1.C6(C)C8.C7C5.C34=O.N46C.N35 |
1923527 | Cc1csc(C(C)NC(=O)N2CCCC2C(=O)NC2CC2)n1 | [C][C][=C][S][C][Branch2][Ring1][O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch1] | Cc1csc9n1.N14CCCC18.C69C.C34=O.C58=O.C17CC1.N36.N57 |
1923528 | CCc1n[nH]c(=O)c(CNC(=O)NC(C)c2c(C)noc2C)c1CC | [C][C][C][=N][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][C] | c17n[nH]c(=O)c8c1%10.c19c(C)noc1C.C34=O.C69C.CC7.C58.N35.N46.C%10C |
1923529 | Cc1ccc(C)c(C(O)Cn2nc(C(F)(F)F)ccc2=O)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Branch1] | Cc1ccc(C)c5c1.n13nc4ccc1=O.C5(O)C3.C4(F)(F)F |
1923530 | c1csc(-c2oncc2CSc2nc(C3CC3)n[nH]2)c1 | [C][=C][S][C][Branch2][Ring1][Branch2][C][O][N][=C][C][=Ring1][Branch1][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c17oncc15.c16nc8n[nH]1.c1csc7c1.C18CC1.C45.S46 |
1923531 | CC(C)Cc1noc(COc2ccccc2-c2nc[nH]n2)n1 | [C][C][Branch1][C][C][C][C][=N][O][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1][=N][Ring2][Ring1][C] | c14ccccc17.c15noc6n1.c17nc[nH]n1.CC(C)C5.C36.O34 |
1923532 | Cn1ncc(COc2ccccc2-c2nc[nH]n2)c1C(F)(F)F | [C][N][N][=C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F] | Cn1ncc6c15.c14ccccc17.c17nc[nH]n1.C5(F)(F)F.C36.O34 |
1923533 | CC(=O)c1ccc(NC(=O)NC2C3CCOC3C23CCCC3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | C17C2CCOC2C12CCCC2.c18ccc6cc1.CC8=O.C45=O.N46.N57 |
1923535 | Cc1ncc(S(=O)(=O)N2CCCCC2CCOC(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][C][S][Ring2][Ring1][Ring2] | Cc1ncc(S5(=O)=O)s1.N15CCCCC16.C6C3.C4(C)C.O34 |
1923536 | CC(C)N(c1cnn(C)c1)S(=O)(=O)c1cncc(Cl)c1 | [C][C][Branch1][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | S3(=O)(=O)c1cncc(Cl)c1.c14cnn(C)c1.CC2C.N234 |
1923538 | COc1cc(CNC2CCCN(CC(F)(F)F)C2=O)ccc1F | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=O][=C][C][=C][Ring2][Ring1][Ring2][F] | c13cc7ccc1F.C15CCCN6C1=O.C6C(F)(F)F.CO3.C47.N45 |
1923540 | CCc1nn(C)c(CC)c1CNC(=O)NCC1Cc2ccccc2O1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | C17Cc2ccccc2O1.c18nn(C)c9c1%10.C34=O.CC8.C9C.C5%10.N35.N46.C67 |
1923541 | CC(NC(=O)NCCc1cnn(C)c1)C1COc2ccccc21 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | CC5C1COc2ccccc21.c17cnn(C)c1.C34=O.C6C7.N35.N46 |
1923542 | Cc1ccc(C2CN(C(=O)NCC(C)c3cccs3)CCO2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][O][Ring1][P][O][Ring2][Ring1][=Branch1] | C18CN4CCO1.Cc1ccc8o1.c17cccs1.C6C7C.C45=O.N56 |
1923543 | CCc1nn(C)c(CC)c1CNC(=O)NC(C)Cc1cc(C)[nH]n1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1] | c16nn(C)c7c19.c18cc(C)[nH]n1.C5(C)C8.C23=O.CC6.C7C.C49.N24.N35 |
1923544 | Cc1cc(CC(C)NC(=O)NC2C3CCOC3C23CCCC3)n[nH]1 | [C][C][=C][C][Branch2][Ring1][=N][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][C][Ring1][Branch1][=N][NH1][Ring2][Ring1][#Branch1] | C17C2CCOC2C12CCCC2.Cc1cc8n[nH]1.C8C6C.C45=O.N46.N57 |
1923545 | COC1CCC2OCCN(C(=O)Cc3cccc(C)c3)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][S][C][Ring2][Ring1][Ring2] | C15CCC2OCCN4C2C1.c16cccc(C)c1.C4(=O)C6.CO5 |
1923546 | COC(=O)C(Cc1ccc(F)cc1)NC(=O)Cc1cc(C)[nH]n1 | [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1] | c16ccc(F)cc1.C2(=O)C4C6.c15cc(C)[nH]n1.C3(=O)C5.CO2.N34 |
1923548 | Cc1cnccc1CCNC(=O)Nc1ccccc1-c1ccncc1 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1cnccc16.c15ccccc17.c17ccncc1.C6C4.C23=O.N24.N35 |
1923550 | Cc1ccc(C2CN(C(=O)Nc3cccn(C)c3=O)CCO2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][C][O][Ring1][P][O][Ring2][Ring1][=Branch1] | c16cccn(C)c1=O.C17CN4CCO1.Cc1ccc7o1.C45=O.N56 |
1923551 | CCc1nn(C)c(CC)c1CNC(=O)Nc1nc(COC)cs1 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][Ring2][C][O][C][=C][S][Ring1][Branch2] | c17nn(C)c8c1%10.c16nc9cs1.C23=O.CC7.C8C.C5%10.N25.N36.C49.O4C |
1923552 | CN(CC1CCCC1O)C(=O)Nc1cccc2c1CCN2C | [C][N][Branch1][#Branch2][C][C][C][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C] | c16cccc2c1CCN2C.C17CCCC1O.CN35.C34=O.C57.N46 |
1923553 | CCc1nn(C)c(CC)c1CNC(=O)Nc1cc(C2CCC2)nn1C | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][N][Ring1][=Branch2][C] | c17nn(C)c8c19.c16cc%10nn1C.C1%10CCC1.C34=O.CC7.C8C.C59.N35.N46 |
1923554 | Cc1cnccc1CCNC(=O)NC1CCc2c(F)cccc21 | [C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] | N4C1CCc2c(F)cccc21.Cc1cnccc16.C6C5.C34=O.N35 |
1923555 | O=C(NC1CCc2c(O)cccc21)NC1C2CCOC2C12CCCC2 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][C][Ring1][Branch1] | N3C1CCc2c(O)cccc21.C15C2CCOC2C12CCCC2.O=C34.N45 |
1923556 | CC(NC(=O)NCCc1nnc2n1CCC2)C1COc2ccccc21 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | CC5C1COc2ccccc21.c17nnc2n1CCC2.C34=O.C6C7.N35.N46 |
1923558 | CC(=O)c1cccc(COC(=O)c2cncc(C)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | c15cccc7c1.c16cncc(C)c1.CC5=O.C36=O.C47.O34 |
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