ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931511 | CC(C1CC1)N(C)S(=O)(=O)c1cccc(C(=O)N(C)C)c1 | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O] | S4(=O)(=O)c1cccc5c1.CC36.C16CC1.N34C.C25=O.N2(C)C |
1931512 | O=C(NCc1cccnc1)N1CCN(Cc2ccccn2)CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] | N14CCN6CC1.c18cccnc1.c17ccccn1.O=C34.N35.C58.C67 |
1931513 | CCCNC(=O)C1CN(Cc2ccc(OC)cc2)c2ccccc2O1 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | C17CN6c2ccccc2O1.c18ccc4cc1.CCC5.C37=O.N35.C68.O4C |
1931514 | COC(=O)CN1CCN(C(C(N)=O)c2ccccc2)CC1 | [C][O][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCN5CC1.c16ccccc1.C56C(N)=O.C3(=O)C4.CO3 |
1931515 | Cc1csc(=O)n1CC(=O)Nc1ccccc1S(C)(=O)=O | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c13ccccc1S(C)(=O)=O.Cc1csc(=O)n14.C4C2=O.N23 |
1931516 | Cc1c(C(=O)OCCO)sc2nc(C(F)(F)F)ccc12 | [C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][O][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch2] | Cc1c5sc2nc6ccc12.C6(F)(F)F.C35=O.C4CO.O34 |
1931518 | CNC(=O)C1CCCN1S(=O)(=O)c1ccc(CCC(C)C)cc1 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=C][Ring1][O] | S3(=O)(=O)c1ccc5cc1.C14CCCN13.C5CC(C)C.C24=O.CN2 |
1931519 | CCC(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)NC)cc1 | [C][C][C][Branch1][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][=O][N][C][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.N14CCCC15.CCC6C.C35=O.N3C |
1931520 | CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)c(F)c1F | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] | S3(=O)(=O)c1ccc(F)c(F)c1F.C14CCCN13.C24=O.CN2 |
1931521 | CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccncc3)on2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16ccc9cc1.c18cc%10on1.c1%10ccncc1.CC5C.C48=O.O56.C79.N47 |
1931522 | CC(=O)NC1CCCN(S(=O)(=O)N2CCCCCC2)C1 | [C][C][=Branch1][C][=O][N][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] | C14CCCN(S(=O)(=O)N2CCCCCC2)C1.CC3=O.N34 |
1931523 | COCc1ccccc1CNC(=O)c1cc(-c2ccncc2)on1 | [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c17ccccc18.c16cc9on1.c19ccncc1.C36=O.CO4.C47.C58.N35 |
1931525 | CCCc1c(C(=O)N2CC(C)OCC2C)[nH]c(C)c1C(C)=O | [C][C][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C][NH1][C][Branch1][C][C][=C][Ring1][S][C][Branch1][C][C][=O] | c16c4[nH]c(C)c15.N13CC(C)OCC1C.CCC6.C34=O.C5(C)=O |
1931526 | CC1CN(C(=O)c2cc(C(C)(C)C)nn2C)C(C)CO1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][C][Branch1][C][C][C][O][Ring2][Ring1][Ring1] | CC1CN3C(C)CO1.c14cc5nn1C.C5(C)(C)C.C34=O |
1931527 | NC(C(=O)N1CCN(c2ccc(O)cc2)CC1)c1ccccc1 | [N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCN4CC1.c14ccc(O)cc1.c15ccccc1.NC5C3=O |
1931528 | COc1ccc(OC)c(CC(=O)NCc2ccc(F)c(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccc(F)c(C)c1.C7C3=O.CO4.O5C.N36.C68 |
1931529 | CCOCCOC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C18CCN4CC1.C6C7.C38=O.C49=O.C19CC1.CC5.O56.O37 |
1931530 | CC(C)CCOC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C16CCN4CC1.CC(C)CC5.C36=O.C47=O.C17CC1.O35 |
1931531 | COc1cccc(OCCNC(=O)c2cncc3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c19cncc2ccccc12.c16cccc7c1.C5C8.C49=O.CO6.O57.N48 |
1931533 | Cn1c(COC(=O)Cc2noc3ccccc23)nc2ccccc21 | [C][N][C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c6nc2ccccc21.c17noc2ccccc12.C4(=O)C7.C56.O45 |
1931534 | CC(C)=CC1C(C(=O)Nc2cccnc2-n2ccnc2C)C1(C)C | [C][C][Branch1][C][C][=C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][C][Branch1][C][C][C] | C=6C1C5C1(C)C.c14cccnc17.n17ccnc1C.CC=6C.C35=O.N34 |
1931535 | CC(C)OCC(O)CN1CCN(Cc2cccc(Cl)c2)CC1 | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=C] | N15CCN6CC1.c17cccc(Cl)c1.C4C(O)C5.CC3C.O34.C67 |
1931536 | CC1CN(Cc2nc(-c3ccccc3OC(F)F)no2)CCO1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][O][Ring1][#C][C][C][O][Ring2][Ring1][=Branch1] | CC1CN5CCO1.c17ccccc14.c16nc7no1.O4C(F)F.C56 |
1931537 | COCCN(CC(C)C)C(=O)c1cc(Cl)cc2cccnc12 | [C][O][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c17cc(Cl)cc2cccnc12.C6C(C)C.C4C5.N356.C37=O.CO4 |
1931538 | O=C(c1cncc(Br)c1)N1CCc2[nH]ncc2C1 | [O][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | N13CCc2[nH]ncc2C1.c14cncc(Br)c1.O=C34 |
1931539 | COc1cc(C)c(S(=O)(=O)N(C)CC2CC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][S][C] | c13cc(C)c(S5(=O)=O)cc1C.N45C.C16CC1.CO3.C46 |
1931540 | COc1ccc(S(=O)(=O)N(C)CC2CC2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][Ring1][S] | c13ccc(S5(=O)=O)c(C)c1.N45C.C16CC1.CO3.C46 |
1931541 | Cc1cc(S(=O)(=O)N(C)CC2CC2)c(C)s1 | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][Branch1][C][C][S][Ring1][#C] | Cc1cc(S4(=O)=O)c(C)s1.N34C.C15CC1.C35 |
1931542 | CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC2CC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][#C] | S4(=O)(=O)c1ccc(S5(=O)=O)cc1.CN4C.N35C.C16CC1.C36 |
1931543 | Cc1nn(C)c(C)c1CCC(=O)Oc1ccc2c(c1)OCCO2 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1nn(C)c(C)c15.C5CC3=O.O34 |
1931545 | O=C(C1CC1)N1CCCC1CN1CCc2ccccc21 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N14CCc2ccccc21.N13CCCC16.O=C35.C15CC1.C46 |
1931546 | N#CC(C(=O)c1csc(C2CC2)n1)c1nnc2n1CCCCC2 | [N][#C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c14nnc2n1CCCCC2.N#CC4C3=O.c13csc5n1.C15CC1 |
1931547 | Cc1nn(C)c(C)c1CC(=O)Nc1ncc(C(N)=O)s1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2] | Cc1nn(C)c(C)c15.c13ncc4s1.C5C2=O.C4(N)=O.N23 |
1931548 | Cc1cc(CNC(=O)Cc2ccc(O)cc2)ccc1F | [C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][F] | Cc1cc5ccc1F.c16ccc(O)cc1.C3(=O)C6.C45.N34 |
1931549 | Nc1nccnc1C(=O)NCCc1cc(F)cc(F)c1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15cc(F)cc(F)c1.Nc1nccnc14.C24=O.C3C5.N23 |
1931550 | Cc1cc(C)n(-c2ccc(NC(=O)c3cc(N(C)C)ccn3)cn2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=N][Ring1][=Branch2][C][=N][Ring2][Ring1][C][N][=Ring2][Ring1][Branch2] | Cc1cc(C)n8n1.c18ccc5cn1.c17cc6ccn1.C47=O.N6(C)C.N45 |
1931551 | CC(O)CNC(=O)c1cc(Cl)cc2cccnc12 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15cc(Cl)cc2cccnc12.CC(O)C4.C35=O.N34 |
1931552 | COc1cccc(OCC(=O)N2CCCC(CO)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=C][Ring2][Ring1][C] | c15cccc6c1.N13CCCC7C1.C4C3=O.CO5.O46.C7O |
1931553 | CCc1c(C(=O)NCc2ccc(F)c(Cl)c2)[nH]c(C)c1C(C)=O | [C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][C][Branch1][C][C][=C][Ring2][Ring1][C][C][Branch1][C][C][=O] | c17c5[nH]c(C)c16.c18ccc(F)c(Cl)c1.C35=O.C6(C)=O.CC7.N34.C48 |
1931554 | Cc1nccc(C(=O)N2CCC(n3c(C)ccc3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N][=N][Ring2][Ring1][Branch1] | Cc1nccc5n1.N14CCC6CC1.n16c(C)ccc1C.C45=O |
1931555 | O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCCO | [O][=C][Branch2][Ring1][O][C][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][N][C][C][O] | n17c8nc2ccccc21.c15ccccc1.O=C3C7.C6CO.C48.O45.N36 |
1931556 | O=C(NCCO)c1cc(-c2ccco2)nn1-c1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc7nn16.c16ccccc1.c17ccco1.O=C35.C4CO.N34 |
1931557 | Cn1nc(C(C)(C)C)cc1C(=O)N1CCCC(CO)C1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2] | Cn1nc4cc13.N12CCCC5C1.C4(C)(C)C.C23=O.C5O |
1931558 | O=C(CCC(=O)N1CCCC(CO)C1)N1CCc2sccc2C1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | N13CCc2sccc2C1.O=C3CCC4=O.N14CCCC5C1.C5O |
1931559 | C=CCCC(=O)N1c2ccccc2CCC1C(=O)Nc1ccccc1 | [C][=C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13c2ccccc2CCC16.C=CCCC3=O.c15ccccc1.C46=O.N45 |
1931560 | CN(C)C(C)(C(=O)NCc1ccc(F)cc1)c1ccccc1 | [C][N][Branch1][C][C][C][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(F)cc1.C35(C)C2=O.c15ccccc1.CN3C.N24.C46 |
1931561 | CCOc1cccc(C(=O)NCC(O)CN2CCOCC2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c15cccc8c1.N17CCOCC1.C6C(O)C7.C38=O.CC4.O45.N36 |
1931562 | C=CCN(Cc1ccccc1F)C(=O)Cc1c(C)n[nH]c1C | [C][=C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c15ccccc1F.c16c(C)n[nH]c1C.C2(=O)C6.C=CC3.N234.C45 |
1931563 | CCC(C)C(NC(=O)c1ccc2cc(OC)ccc2n1)C(=O)OC | [C][C][C][Branch1][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=N][Ring1][N][C][=Branch1][C][=O][O][C] | c17ccc2cc5ccc2n1.CCC(C)C6C3=O.C47=O.N46.O5C.O3C |
1931564 | Cc1cccc(CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][#Branch1] | S7(=O)(=O)c1ccc5cc1.Cc1cccc8n1.C14CCCC1.C68.N67.O45 |
1931565 | CC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(C)n3)ccc21 | [C][C][=Branch1][C][=O][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][C][=N][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | N14CCc2cc(S6(=O)=O)ccc21.c17cccc(C)n1.CC4=O.N56.C57 |
1931566 | NC(=O)N1CCCN(C(=O)COCCc2ccccc2)CC1 | [N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | N13CCCN4CC1.c17ccccc1.C4(=O)C5.NC3=O.C6C7.O56 |
1931567 | O=C(Cc1ccccc1C(F)(F)F)OCc1ccoc1 | [O][=C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][O][C][C][C][=C][O][C][=Ring1][Branch1] | c14ccccc15.c16ccoc1.O=C2C4.C5(F)(F)F.O23.C36 |
1931569 | Brc1cnc(NC2CCC3(CC2)OCCO3)nc1 | [Br][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=C][Ring1][P] | C15CCC2(CC1)OCCO2.Brc1cnc4nc1.N45 |
1931571 | Cc1ccccc1C(NS(=O)(=O)C1CCOCC1)C1CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | S3(=O)(=O)C1CCOCC1.Cc1ccccc15.C245.C14CC1.N23 |
1931572 | CSc1ccc(C(=O)N2CCN(C(C)C(=O)NC3CC3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c19ccc8cc1.N14CCN6CC1.C6(C)C5=O.C48=O.C17CC1.CS9.N57 |
1931573 | O=C(COc1ccccc1O)Nc1ccc(C(=O)NC2CC2)cc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N] | c16ccccc1O.c17ccc9cc1.O=C3C5.C49=O.C18CC1.O56.N37.N48 |
1931574 | Cc1ccc(CCNC(=O)c2nccnc2N)cc1 | [C][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c15nccnc1N.C6C4.C35=O.N34 |
1931575 | N#Cc1ccc(NCCc2nc3ccccc3s2)nc1 | [N][#C][C][=C][C][=C][Branch1][P][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][=C][Ring2][Ring1][C] | c16nc2ccccc2s1.N#Cc1ccc5nc1.C4C6.N45 |
1931576 | CC(Cn1cncn1)NS(=O)(=O)C1=Cc2ccccc2CC1 | [C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2] | S4(=O)(=O)C1=Cc2ccccc2CC1.n15cncn1.CC3C5.N34 |
1931577 | CN(C)S(=O)(=O)NC(c1cccs1)c1cccs1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1] | CN(C)S(=O)(=O)N2.c13cccs1.c14cccs1.C234 |
1931578 | C=CCN(Cc1ccccc1)C(=O)c1cc(-c2ccncc2)on1 | [C][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c17ccccc1.c16cc8on1.c18ccncc1.C=CC4.N345.C36=O.C57 |
1931579 | O=C(CCCS(=O)(=O)N1CCCC1)N1CCOc2ccccc21 | [O][=C][Branch2][Ring1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCOc2ccccc21.O=C3CCCS4(=O)=O.N14CCCC1 |
1931580 | CC#CCSc1nnc(N(C(C)=O)C2CC2)s1 | [C][C][#C][C][S][C][=N][N][=C][Branch1][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][Ring1][Ring1][S][Ring1][N] | c17nnc5s1.CC#CC4.N356.C3(C)=O.C16CC1.S47 |
1931581 | CC1CN(S(C)(=O)=O)c2ccccc2N(C)C1=O | [C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][S][=O] | CC1CN3c2ccccc2N(C)C1=O.S3(C)(=O)=O |
1931582 | Cc1noc2nc(C(C)C)cc(C(=O)Nn3cnc4ccccc43)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1] | C5(=O)Nn1cnc2ccccc21.Cc1noc2nc6cc5c12.C6(C)C |
1931585 | Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1C1CCCCC1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][P][C][C][C][C][C][C][Ring1][=Branch1] | Cc1cc5c(C)n17.c16cccnc1.C17CCCCC1.C35=O.N34C.C46 |
1931586 | Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3cccnc3)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1noc2nc7cc6c12.c18cccnc1.C7(C)C.C46=O.N45C.C58 |
1931588 | Cc1noc2nc(C(C)C)cc(C(=O)NC(C)c3ccncc3)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1noc2nc7cc6c12.c18ccncc1.C7(C)C.C46=O.C58C.N45 |
1931589 | COC(=O)C1CCN(C(=O)C2CC2(Cl)Cl)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][=N] | C15CCN4CC1.C16CC1(Cl)Cl.C35=O.C46=O.CO3 |
1931590 | CCNC(=O)CNC(=O)c1occc1CSc1ccccc1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17occc18.c19ccccc1.C2(=O)C5.C37=O.CC4.N24.N35.C68.S69 |
1931591 | CCNC(=O)CNC(=O)c1cc2c(C)nn(C)c2s1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][S][Ring1][#Branch2] | c17cc2c(C)nn(C)c2s1.C3(=O)C6.C47=O.CC5.N35.N46 |
1931592 | COCc1ccc(C(=O)NCCCN2CCCCCC2=O)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][O][Ring2][Ring1][Ring1] | N17CCCCCC1=O.c18ccc6o1.C5CC7.C36=O.CO4.C48.N35 |
1931593 | COCc1ccc(C(=O)NCC2CN(CC(C)C)CCO2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | C18CN6CCO1.c19ccc7o1.C6C(C)C.C37=O.CO4.C49.N35.C58 |
1931594 | COC1CCN(C(=O)C2CC2(Cl)Cl)CC1 | [C][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][=N] | C14CCN3CC1.C15CC1(Cl)Cl.C35=O.CO4 |
1931595 | COc1ccc(CNC(=O)c2cc(C(C)C)nc3onc(C)c23)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1] | c17cc8nc2onc(C)c12.c15ccc9cn1.C47=O.C8(C)C.CO5.C69.N46 |
1931596 | CSc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1] | c18ccc6cc1.N14CCN5CC1.c17cccnc1.C46=O.CS8.C57 |
1931597 | Cc1cc(C)c(NC(=O)CCn2cncn2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c4c(C)c1.C3(=O)CC5.n15cncn1.N34 |
1931598 | O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)C1CC2C=CC1C2 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1] | c15ccc7cc1.N14CCCCCC1.C16CC2C=CC1C2.O=C36.C47=O.N35 |
1931599 | COc1ccc(CN(C)c2nc(C)cc(C)n2)cc1F | [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][F] | c13ccc6cc1F.c15nc(C)cc(C)n1.N45C.CO3.C46 |
1931600 | COc1ccnc(N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=N][Ring2][Ring1][#Branch1] | c15ccnc6n1.N16CCC8CC1.c17ccc(F)cc1.C48=O.N47C.CO5 |
1931601 | CN(C(=O)CN1CCCS1(=O)=O)c1ccc(F)cc1 | [C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13CCCS1(=O)=O.c14ccc(F)cc1.C2(=O)C3.CN24 |
1931602 | CN(CC1CCCCC1)C(=O)CNc1cccc(S(C)(=O)=O)c1 | [C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2] | c15cccc(S(C)(=O)=O)c1.C16CCCCC1.C2(=O)C4.CN23.C36.N45 |
1931604 | O=C1C(NCc2cccnc2)CCCN1c1ccccc1Cl | [O][=C][C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1C4CCCN16.c16ccccc1Cl.c15cccnc1.N34.C35 |
1931605 | Cc1nccc(N2CCN(C(=O)C(C)Oc3ccccc3F)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | Cc1nccc7n1.N17CCN4CC1.c16ccccc1F.C4(=O)C5C.O56 |
1931606 | O=C1OCCC1N1CCCC1c1nc2ccccc2s1 | [O][=C][O][C][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c14nc2ccccc2s1.O=C1OCCC13.N13CCCC14 |
1931607 | CC(C)n1ccc(CNc2cccc(Oc3ccccn3)c2)n1 | [C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c17cccc5c1.n18ccc9n1.c14ccccn1.CC8C.C69.N67.O45 |
1931608 | Cc1ccc(C2CC(C)CCN2S(=O)(=O)C2CCOCC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][C][C][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | S3(=O)(=O)C1CCOCC1.C14CC(C)CCN13.Cc1ccc4o1 |
1931609 | CC1(C)C2CN(C(=O)Nc3nnc(Cc4ccsc4)s3)CC21 | [C][C][Branch1][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][S][Ring1][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch1] | CC1(C)C2CN5CC21.c17nnc8s1.c19ccsc1.C56=O.N67.C89 |
1931610 | CCNC(=O)N1CCN(Cc2nc(-c3cccnc3)no2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring2][Ring1][C] | N15CCN7CC1.c18nc9no1.c19cccnc1.C45=O.CC6.N46.C78 |
1931611 | CN(CCc1cccs1)C(=O)NCCN1C(=O)Cc2ccccc21 | [C][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | C6CN1C(=O)Cc2ccccc21.c17cccs1.CN35.C5C7.C34=O.N46 |
1931612 | CC1CN(Cc2cccc(C(N)=O)c2)c2cc(Cl)ccc2O1 | [C][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Branch1] | CC1CN3c2cc(Cl)ccc2O1.c15cccc4c1.C4(N)=O.C35 |
1931613 | Cc1ccc(C(=O)OCC2CC(=O)N(Cc3ccccc3)C2)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][O][Ring2][Ring1][=Branch1] | C18CC(=O)N7C1.Cc1ccc6o1.c19ccccc1.C46=O.O45.C58.C79 |
1931614 | CC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | CC1CCCCN13.c17ccc5cc1.C16CCCO1.C37=O.C46=O.N45 |
1931615 | O=C(NCC1CCc2ccccc21)c1ccncc1Cl | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl] | C4C1CCc2ccccc21.c15ccncc1Cl.O=C35.N34 |
1931617 | CC(c1cccnc1)N1CCN(C(=O)c2cccc(O)c2)CC1 | [C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15cccc(O)c1.c16cccnc1.CC46.C35=O |
1931618 | Cc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][O][Ring2][Ring1][Ring1] | C14CCN5CC1.Cc1ccc6o1.C5C(F)(F)F.C36=O.O34 |
1931619 | CC1(C)CN(C(=O)NC2CCC3(CC2)OCCO3)C1(C)C | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C][Branch1][C][C][C] | C16CCC2(CC1)OCCO2.CC1(C)CN4C1(C)C.C45=O.N56 |
1931620 | COC(=O)c1coc(CSc2ccccc2O)c1 | [C][O][C][=Branch1][C][=O][C][=C][O][C][Branch1][N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][=C] | c17ccccc1O.c15coc6c1.C35=O.CO3.C46.S47 |
1931621 | Clc1cnc(NC2CCC3(CC2)OCCO3)nc1 | [Cl][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=C][Ring1][P] | C15CCC2(CC1)OCCO2.Clc1cnc4nc1.N45 |
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