ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1935438 | Cc1ccc(N2CCC(C(=O)NCc3nc(C)c(C)o3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc8cc1.N18CCC6C1=O.c17nc(C)c(C)o1.C46=O.N45.C57 |
1935439 | Cc1ccc(N2CCC(C(=O)NCc3nc(C)c(C)o3)C2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1][C] | Cc1ccc8cc1C.N18CCC6C1=O.c17nc(C)c(C)o1.C46=O.N45.C57 |
1935440 | COC(=O)Cc1csc(NC(=O)c2cc(C)nn2C)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=N][Ring1][#C] | c16cc(C)nn1C.c17csc5n1.C3(=O)C7.C46=O.CO3.N45 |
1935441 | COC(=O)Cc1csc(NC(=O)c2cc(CC(C)C)n[nH]2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][=N][Ring1][P] | c17csc5n1.c16cc8n[nH]1.C3(=O)C7.C8C(C)C.C46=O.CO3.N45 |
1935442 | COC(=O)Cc1csc(NC(=O)c2cc(C(C)(C)C)n[nH]2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][=N][Ring1][P] | c17csc5n1.c16cc8n[nH]1.C3(=O)C7.C8(C)(C)C.C46=O.CO3.N45 |
1935443 | O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(N2CCCCC2)cn1 | [O][=C][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N] | n16ccc(=O)[nH]c1=O.c14ccc5cn1.N15CCCCC1.O=C3C6.N34 |
1935444 | CC(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cn2)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N][N][Branch1][C][C][C][=Ring2][Ring1][Branch1] | c18cc7n(C)c1.c15ccc6cn1.N16CCCCC1.CC8=O.C47=O.N45 |
1935445 | Cc1nn(C)c(C)c1C(=O)Nc1ccc(N2CCCCC2)cn1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N] | Cc1nn(C)c(C)c16.c14ccc5cn1.N15CCCCC1.C36=O.N34 |
1935447 | O=C(Nc1nc(C2CC2)cs1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 | [O][=C][Branch1][S][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N] | c15ccc2[nH]c(=O)c(=O)[nH]c2c1.c14nc6cs1.O=C35.C16CC1.N34 |
1935448 | Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(C3CC3)cs2)[nH]n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][NH1][N][=Ring1][S] | Cc1nn(C)c(C)c18.c18cc6[nH]n1.c15nc7cs1.C46=O.C17CC1.N45 |
1935450 | CCc1cc(C(=O)Nc2cccnc2N2CCOCC2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][Ring2] | c15cccnc14.c17cc6[nH]n1.N14CCOCC1.C36=O.CC7.N35 |
1935451 | O=C(NC1CCN(c2ccccc2)CC1)c1cccnc1-n1cccn1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | C15CCN4CC1.c16cccnc17.c14ccccc1.n17cccn1.O=C36.N35 |
1935452 | CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCC(C(N)=O)CC1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c18ccccc15.C16CCC7CC1.CC4(C)C.C28=O.C36=O.C7(N)=O.N24.N35 |
1935453 | COc1ccc(NC(C)=O)c(NC(=O)CCOc2cccc(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] | c16ccc8c9c1.c17cccc(C)c1.C4(=O)CC5.C3(C)=O.CO6.N38.N49.O57 |
1935454 | CCc1cc(C(=O)N(C2CC2)C(C)c2ccco2)[nH]n1 | [C][C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring2][Ring1][C] | c17cc6[nH]n1.c18ccco1.C36=O.N345.C15CC1.C48C.CC7 |
1935455 | Cc1ccc(C)c(-c2n[nH]cc2CN2CCCC(c3ccncn3)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch2] | Cc1ccc(C)c7c1.N14CCCC6C1.c17n[nH]cc15.c16ccncn1.C45 |
1935458 | O=C1OCC2(CCN(Cc3nc4c(s3)CCCC4)CC2)O1 | [O][=C][O][C][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][P][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S][O][Ring2][Ring1][Ring2] | O=C1OCC2(CCN5CC2)O1.c16nc2c(s1)CCCC2.C56 |
1935459 | O=C(c1cccn1C1CC1)N1CCN(c2ncccn2)CC(O)C1 | [O][=C][Branch1][=N][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][=C] | N13CCN4CC(O)C1.c15cccn16.c14ncccn1.O=C35.C16CC1 |
1935460 | COc1ccc(-c2cc(CO)ccn2)c(-n2nc(C)cc2C)c1 | [C][O][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][Ring1][C][O][=C][C][=N][Ring1][Branch2][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c13ccc6c5c1.c16cc4ccn1.n15nc(C)cc1C.CO3.C4O |
1935461 | CC1(O)CCN(C(=O)c2cnoc2-c2ccccc2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][O] | CC1(O)CCN3CC1O.c14cnoc15.c15ccccc1.C34=O |
1935465 | O=C(Nc1cccc(N2CCCCC2)c1)c1cccnc1-n1cccn1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] | c14cccc5c1.c16cccnc17.N15CCCCC1.n17cccn1.O=C36.N34 |
1935466 | CN(C(=O)c1ccc(-n2cncn2)cc1)c1ccc(F)c(F)c1 | [C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15ccc6cc1.n16cncn1.CN34.C35=O |
1935467 | Cc1cccc(OCCC(=O)N(C)c2ccc(F)c(F)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c16ccc(F)c(F)c1.Cc1cccc5c1.C4CC3=O.N36C.O45 |
1935468 | CN(C(=O)C1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1 | [C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.C14CCC5CC1.CN23.C24=O.C5(N)=O |
1935469 | CN(C(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(F)c(F)c1 | [C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15cc6n[nH]1.c16cccs1.CN34.C35=O |
1935470 | Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)c2ccc(F)c(F)c2)[nH]n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][NH1][N][=Ring1][P] | Cc1nn(C)c(C)c16.c14ccc(F)c(F)c1.c16cc5[nH]n1.C35=O.N34C |
1935471 | O=C(NC(CO)c1ccc(F)cc1)c1cccc2nccnc12 | [O][=C][Branch2][Ring1][C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2nccnc12.c16ccc(F)cc1.C46CO.O=C35.N34 |
1935472 | COc1c[nH]c(C(=O)NCC2CCc3ccccc3O2)cc1=O | [C][O][C][=C][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][C][Ring2][Ring1][Ring2][=O] | C18CCc2ccccc2O1.c15c[nH]c7cc1=O.C47=O.CO5.N46.C68 |
1935473 | Cc1nc(C2CC2)ncc1C(=O)NCc1ccon1 | [C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][O][N][=Ring1][Branch1] | Cc1nc7ncc15.c16ccon1.C17CC1.C35=O.N34.C46 |
1935474 | COc1ccc(-c2nccc(N3CCC(O)C3)n2)c(-n2cccn2)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][=N][Ring1][N][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring2][Ring1][#Branch1] | c14ccc7c6c1.c17nccc5n1.N15CCC(O)C1.n16cccn1.CO4 |
1935475 | COCC1CCCN1C(=O)CCn1c(C)cccc1=O | [C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=O] | n14c(C)cccc1=O.C15CCCN12.C2(=O)CC4.CO3.C35 |
1935476 | CCCc1nc(C(=O)N2CCCC2COC)cs1 | [C][C][C][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][C][=C][S][Ring1][#C] | c17nc5cs1.N13CCCC16.CCC7.C35=O.C46.O4C |
1935478 | Cc1nc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][S][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCC(=O)N2.Cc1nc6cs1.C6C4=O.N45 |
1935479 | O=C1COc2cc(NC(=O)c3cc4c(s3)CCC4)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][Ring2][Ring1][Branch1] | O=C1COc2cc6ccc2N1.c17cc2c(s1)CCC2.C57=O.N56 |
1935480 | CCc1sc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1C | [C][C][C][S][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][C][=Ring2][Ring1][Ring1][C] | c15ccc2c(c1)OCC(=O)N2.c17sc6cc1C.C46=O.CC7.N45 |
1935481 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.n15c(=O)oc2ccccc21.O=C3C5.N34 |
1935482 | CCCc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)sc1C | [C][C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][C][=Ring2][Ring1][Ring1][C] | c15ccc2c(c1)OCC(=O)N2.c17cc6sc1C.CCC7.C46=O.N45 |
1935483 | Cc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)sc1C | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][C][=Ring2][Ring1][Ring1][C] | c15ccc2c(c1)OCC(=O)N2.Cc1cc6sc1C.C46=O.N45 |
1935484 | CCc1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)sc1C | [C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][C][=Ring2][Ring1][Ring1][C] | c15ccc2c(c1)OCC(=O)N2.c17cc6sc1C.C46=O.CC7.N45 |
1935485 | Cc1nc(C)c(C(=O)Nc2ccc3c(c2)OCC(=O)N3)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCC(=O)N2.Cc1nc(C)c6s1.C46=O.N45 |
1935486 | Cc1ccsc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.Cc1ccsc15.C35=O.N34 |
1935487 | Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][S][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCC(=O)N2.Cc1ccc6s1.C46=O.N45 |
1935488 | O=C1COc2cc(NC(=O)c3ccccn3)ccc2N1 | [O][=C][C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1COc2cc5ccc2N1.c16ccccn1.C46=O.N45 |
1935489 | O=C(CCc1ccsc1)Nc1ccc2c(c1)OCC(=O)N2 | [O][=C][Branch1][#Branch2][C][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.O=C3CC5.c15ccsc1.N34 |
1935490 | O=C1COc2cc(NC(=O)c3ccc4ccccc4c3O)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1COc2cc6ccc2N1.c17ccc2ccccc2c1O.C57=O.N56 |
1935491 | Cn1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cn1 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCC(=O)N2.Cn1cc6cn1.C46=O.N45 |
1935492 | O=C1COc2cc(NC(=O)c3cc4ccccc4cc3O)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1COc2cc6ccc2N1.c17cc2ccccc2cc1O.C57=O.N56 |
1935493 | O=C1COc2cc(NC(=O)c3cc(Cl)ccn3)ccc2N1 | [O][=C][C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1COc2cc5ccc2N1.c16cc(Cl)ccn1.C46=O.N45 |
1935494 | Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.Cc1nn(C)c(C)c15.C35=O.N34 |
1935495 | Cc1nn(C)c2sc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc12 | [C][C][=N][N][Branch1][C][C][C][S][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | c16ccc2c(c1)OCC(=O)N2.Cc1nn(C)c2sc7cc12.C57=O.N56 |
1935496 | Cc1cccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=N][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCC(=O)N2.Cc1cccc6n1.C46=O.N45 |
1935497 | O=C1COc2cc(NC(=O)c3ccc4c(c3)CCO4)ccc2N1 | [O][=C][C][O][C][=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][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1] | O=C1COc2cc6ccc2N1.c17ccc2c(c1)CCO2.C57=O.N56 |
1935498 | CC(C)c1nc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][=C][S][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCC(=O)N2.c16nc7cs1.C7C4=O.CC6C.N45 |
1935499 | Cc1ncsc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2] | c14ccc2c(c1)OCC(=O)N2.Cc1ncsc15.C35=O.N34 |
1935500 | O=C1COc2cc(NC(=O)c3ccccc3-n3cccn3)ccc2N1 | [O][=C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2] | O=C1COc2cc5ccc2N1.c16ccccc17.n17cccn1.C46=O.N45 |
1935501 | Cc1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)cn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)OCC(=O)N2.Cc1ccc6cn1.C6C4=O.N45 |
1935502 | O=C(Cc1ccccc1Cl)Nc1ccccc1N1CCC(O)CC1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15ccccc1Cl.c13ccccc14.N14CCC(O)CC1.O=C2C5.N23 |
1935503 | COc1ccccc1CC(=O)Nc1ccccc1N1CCC(O)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c13ccccc16.c14ccccc15.N15CCC(O)CC1.C6C2=O.CO3.N24 |
1935504 | O=C(Cc1ccc(Cl)cc1)Nc1ccccc1N1CCC(O)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15ccc(Cl)cc1.c13ccccc14.N14CCC(O)CC1.O=C2C5.N23 |
1935505 | Cc1ccccc1CC(=O)Nc1ccccc1N1CCC(O)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | Cc1ccccc15.c13ccccc14.N14CCC(O)CC1.C5C2=O.N23 |
1935506 | O=C(CCC1CCCCC1)Nc1ccccc1N1CCC(O)CC1 | [O][=C][Branch1][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c13ccccc14.N14CCC(O)CC1.C15CCCCC1.O=C2CC5.N23 |
1935507 | COc1ccc(CC(=O)Nc2ccccc2N2CCC(O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c14ccc7cc1.c15ccccc16.N16CCC(O)CC1.C7C3=O.CO4.N35 |
1935508 | CC(C)N1CC(C(=O)Nc2ccccc2N2CCC(O)CC2)CC1=O | [C][C][Branch1][C][C][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=O] | N17CC6CC1=O.c14ccccc15.N15CCC(O)CC1.CC7C.C36=O.N34 |
1935509 | CCN1CC(C(=O)Nc2ccccc2N2CCC(O)CC2)CC1=O | [C][C][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=O] | N17CC6CC1=O.c14ccccc15.N15CCC(O)CC1.C36=O.CC7.N34 |
1935510 | O=C(Nc1ccccc1N1CCC(O)CC1)c1cccc2c1OCO2 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1] | c16cccc2c1OCO2.c14ccccc15.N15CCC(O)CC1.O=C36.N34 |
1935511 | O=C(Cn1c(=O)oc2ccccc21)N(CC1CCCCC1)C1CC1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1] | n16c(=O)oc2ccccc21.C17CCCCC1.O=C3C6.N345.C15CC1.C47 |
1935512 | CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1cn2ccccc2n1 | [C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2] | c15cn2ccccc2n1.c16cc7n[nH]1.c17cccs1.CN34.C35=O.C46 |
1935513 | N#Cc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Ring1] | N#Cc1cccc6c1.c16cncc5n1.N14CCCC1.C45=O |
1935515 | Cc1cc(-n2nc(C)nc2-c2cc(C)nc(C)n2)ccn1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=N][Ring1][Branch2][=C][C][=N][Ring2][Ring1][Ring2] | c14cc(C)nc(C)n1.Cc1cc3ccn1.n13nc(C)nc14 |
1935517 | NS(=O)(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][P] | NS(=O)(=O)N1CCN3CC1.c14cccc5c1.C5(F)(F)F.C34 |
1935518 | COCc1ccc(C(=O)NCc2cc(C)nn2C)s1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][S][Ring1][S] | c18cc(C)nn1C.c17ccc6s1.C36=O.CO4.C47.N35.C58 |
1935519 | Cc1cc(NC(=O)N2CC3C4CCC(O4)C3C2)n(C2CCCCC2)n1 | [C][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][#Branch2][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Branch2] | N16CC2C3CCC(O3)C2C1.Cc1cc7n8n1.C18CCCCC1.C56=O.N57 |
1935520 | CC1CCCC(CNC(=O)CCn2cnc3ccccc32)C1 | [C][C][C][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring1][Branch1] | n16cnc2ccccc21.CC1CCCC7C1.C4(=O)CC6.C57.N45 |
1935521 | COc1c(Cl)cccc1NC(=O)c1ccc(-n2cncn2)cc1 | [C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c14c5cccc1Cl.c16ccc7cc1.n17cncn1.C36=O.CO4.N35 |
1935522 | COc1c(Cl)cccc1NC(=O)C1CCC(C(N)=O)CC1 | [C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c13c4cccc1Cl.C15CCC6CC1.C25=O.C6(N)=O.CO3.N24 |
1935523 | COc1ccc(NC(=O)CCc2c(C)n[nH]c2C)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c14ccc5c2cccnc12.c16c(C)n[nH]c1C.C3(=O)CC6.CO4.N35 |
1935524 | COc1ccc2[nH]cc(C3CCN(C(=O)C4CCC(=O)N4)CC3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c16ccc2[nH]cc8c2c1.C18CCN5CC1.C17CCC(=O)N1.C57=O.CO6 |
1935525 | O=C(CCn1cnc2ccccc21)NC1CCc2c(Cl)cccc21 | [O][=C][Branch1][S][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] | N3C1CCc2c(Cl)cccc21.n14cnc2ccccc21.O=C3CC4 |
1935526 | COC(=O)c1ccc(C(=O)NC2CCc3c(Cl)cccc32)nc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1] | N5C1CCc2c(Cl)cccc21.c17ccc6nc1.C47=O.C56=O.CO4 |
1935527 | CC(=O)c1cc(CC(=O)N(CCO)Cc2nccs2)cs1 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=N][C][=C][S][Ring1][Branch1][=C][S][Ring2][Ring1][C] | c16cc8cs1.c17nccs1.C8C3=O.CC6=O.N345.C4CO.C57 |
1935529 | CCN(CC)C(=O)c1ccccc1NC(=O)C1CCC(C(N)=O)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | c19ccccc16.C17CCC8CC1.N245.C29=O.C37=O.C8(N)=O.CC4.C5C.N36 |
1935530 | CCCN(C(=O)C1CCCN(C(N)=O)C1)C1CCc2ccccc2C1 | [C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C16CCc2ccccc2C1.C17CCCN4C1.CCC5.N356.C37=O.C4(N)=O |
1935531 | CC(NC(=O)c1cc(-c2ccncc2)on1)c1ccc(F)c(Cl)c1 | [C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c16ccc(F)c(Cl)c1.c15cc7on1.c17ccncc1.CC46.C35=O.N34 |
1935532 | COc1ccc2nc(C(=O)N(C)CCC(F)(F)F)ccc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c14ccc2nc6ccc2c1.C5CC(F)(F)F.C36=O.N35C.CO4 |
1935533 | CCOC(=O)C1(NC(=O)Cc2ccc(NC(C)=O)cc2)CCCC1 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][C][Ring2][Ring1][Ring1] | c1%10ccc8cc1.C179CCCC1.C4(=O)C%10.C39=O.C5(C)=O.CC6.O36.N47.N58 |
1935534 | CCOC(=O)C1(NC(=O)CCn2ccccc2=O)CCCC1 | [C][C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][P] | n18ccccc1=O.C167CCCC1.C4(=O)CC8.C37=O.CC5.O35.N46 |
1935535 | Cc1n[nH]c(C)c1CCC(=O)NC1(c2ccc(Cl)cc2)CCC1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O] | Cc1n[nH]c(C)c15.c16ccc(Cl)cc1.C5CC3=O.C146CCC1.N34 |
1935536 | COc1ccc(-c2cncc(C(=O)N3CCCC3)n2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Cl] | c15ccc7cc1Cl.c17cncc6n1.N14CCCC1.C46=O.CO5 |
1935539 | Cc1ccc(CN2CCN(Cc3[nH]nc(C)c3Cl)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=N][C][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1] | N15CCN4CC1=O.Cc1ccc7cc1.c16[nH]nc(C)c1Cl.C57.C46 |
1935540 | COCC(c1ccccn1)N(C)C(=O)CCc1ccncc1 | [C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15ccccn1.c16ccncc1.C2(=O)CC6.C3C45.N24C.CO3 |
1935541 | Cc1n[nH]c(C2CCCN2CC2=Cc3cc(Cl)ccc3OC2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=N][Ring2][Ring1][=Branch1] | C4C1=Cc2cc(Cl)ccc2OC1.Cc1n[nH]c5n1.C15CCCN14 |
1935543 | COc1cc(-c2ccnc(OC)c2C#N)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=C][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][#N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc7cc5c16.c17ccnc3c1C#N.CO4.O3C.O5C.O6C |
1935545 | Cc1ncc(CNC(=O)c2nn(-c3cccc(Cl)c3)nc2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][N][C][S][Ring2][Ring1][=Branch1] | c16nn8nc1C.c18cccc(Cl)c1.Cc1ncc7s1.C46=O.C57.N45 |
1935546 | Cc1ncc(CNC(=O)c2cc(-c3cccnc3)on2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][N][=Ring1][O][S][Ring2][Ring1][Ring2] | Cc1ncc7s1.c16cc8on1.c18cccnc1.C46=O.C57.N45 |
1935547 | Cc1ncc(CNC(=O)CCOc2ccccc2F)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring2][Ring1][Ring1] | c15ccccc1F.Cc1ncc7s1.C3(=O)CC4.C67.N36.O45 |
1935548 | COc1ccccc1OCCC(=O)NCc1cnc(C)s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1] | c14ccccc15.c17cnc(C)s1.C3CC2=O.CO4.O35.N26.C67 |
1935549 | Cc1ccc(C)c(OCCC(=O)NCc2cnc(C)s2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c17cnc(C)s1.C4CC3=O.O45.N36.C67 |
1935550 | Cc1ccc(S(=O)(=O)CCC(=O)NCc2cnc(C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c15cnc(C)s1.N34.C45 |
1935551 | Cc1ncc(CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring2] | C3(=O)CS(=O)(=O)c1ccc(Cl)cc1.Cc1ncc5s1.C45.N34 |
1935552 | Cc1cccc(OCCC(=O)NCc2cnc(C)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c17cnc(C)s1.C4CC3=O.O45.N36.C67 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.