ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922412 | CN1CC2(CCCN(c3nnc(C4CC4)o3)C2)OC1=O | [C][N][C][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][Ring1][=C][O][C][Ring2][Ring1][C][=O] | CN1CC2(CCCN5C2)OC1=O.c15nnc6o1.C16CC1 |
1922413 | COc1cccc(-c2n[nH]cc2-c2nc(C(C)C)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c13cccc5c1.c15n[nH]cc16.c16nc4no1.C4(C)C.CO3 |
1922414 | COCCCN1CCCC2(CCN(c3ccc(Cl)cn3)C2)C1=O | [C][O][C][C][C][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Ring1][N][C][Ring1][P][=O] | N16CCCC2(CCN5C2)C1=O.c15ccc(Cl)cn1.C4CC6.CO4 |
1922416 | O=C(NC1CCC1)c1cccc(S(=O)(=O)NCc2cc[nH]n2)c1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring2][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][S] | c17cccc(S5(=O)=O)c1.c18cc[nH]n1.C16CCC1.O=C37.N36.N45.C48 |
1922417 | Cc1cccc2cc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)n(C)c12 | [C][C][=C][C][=C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] | Cc1cccc2cc7n(C)c12.c18n[nH]c2c1CCCC2.C57=O.N56C.C68 |
1922418 | Cc1ccn(CCCNc2cc(C(C)C)ncn2)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=N][Ring1][=Branch2][N][=Ring2][Ring1][C] | c14cc6ncn1.Cc1ccn5n1.C5CC3.C6(C)C.N34 |
1922419 | Cn1ccc2ccc(C(=O)NCCOc3cccc4cccnc34)cc21 | [C][N][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][=Branch2] | Cn1ccc2ccc9cc21.c17cccc2cccnc12.C59=O.C8C6.N58.O67 |
1922420 | COC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C(C)C)n1 | [C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2] | N13CCCCC16.c17noc8n1.C23=O.C46=O.N45C.C8(C)C.CO2.C57 |
1922421 | O=C1NCCCc2[nH]c(-c3cc4ccccc4[nH]3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][C][=Ring1][=C][Ring2][Ring1][Ring1] | O=C1NCCCc2[nH]c5nc21.c15cc2ccccc2[nH]1 |
1922422 | CCc1noc(-c2oc3cc(OC)ccc3c2C)n1 | [C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][=N][Ring1][P] | c16oc2cc4ccc2c1C.c15noc6n1.CC5.O4C |
1922423 | COc1cccc2c1OCC(C(=O)N(Cc1nccs1)C1CC1)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C] | c14cccc2c1OCC7C2.c18nccs1.C37=O.N356.C16CC1.CO4.C58 |
1922424 | CCCn1cnnc1CNC(=O)C1COc2c(cccc2OC)C1 | [C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][N] | C16COc2c4cccc2C1.n17cnnc18.CCC7.C36=O.C58.N35.O4C |
1922425 | CN(C)C(C(=O)NCc1cc(C(C)(C)C)n[nH]1)c1ccc(F)cc1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17ccc(F)cc1.c15cc6n[nH]1.C37C2=O.C6(C)(C)C.CN3C.N24.C45 |
1922426 | CSc1ncc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)n1C | [C][S][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][N][Ring2][Ring1][Ring2][C] | c1%10ncc9n1C.C17CCN5CC1.C47=O.C58=O.C18CC1.CS%10.C69.N46 |
1922427 | Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O] | Cc1n[nH]c(C)c16.c15ccc7cc1.c17cc[nH]n1.C6C4.N34C.C35=O |
1922428 | CC(C)c1nc(Cc2cccc3ccccc23)n(CCO)n1 | [C][C][Branch1][C][C][C][N][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][N][=Ring2][Ring1][Ring1] | c17cccc2ccccc12.c15nc6n4n1.CC5C.C4CO.C67 |
1922429 | CCc1cnc(N)nc1N1CCC2(O)CCN(C(C)=O)CC2C1 | [C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][C][C][Branch1][C][O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][C][Ring1][=C] | N14CCC2(O)CCN3CC2C1.c15cnc(N)nc14.C3(C)=O.CC5 |
1922430 | CCN1CC(C(=O)N2CC(OCc3ccccc3C)C2)CC1=O | [C][C][N][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring2][=O] | N18CC7CC1=O.c19ccccc1C.N14CC6C1.C47=O.CC8.O56.C59 |
1922431 | O=c1c2cccn2cnn1CCCOc1ccc(F)cc1 | [O][=C][C][=C][C][=C][N][Ring1][Branch1][C][=N][N][Ring1][=Branch2][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2cccn2cnn15.c14ccc(F)cc1.C5CC3.O34 |
1922432 | CCN1CC(C(=O)N2CC(OCc3ccccc3F)C2)CC1=O | [C][C][N][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][C][C][Ring2][Ring1][Ring2][=O] | N18CC7CC1=O.c19ccccc1F.N14CC6C1.C47=O.CC8.O56.C59 |
1922433 | CCc1cnc(NCC2CCN(C(C)=O)CC2)nc1 | [C][C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][N][=C][Ring1][P] | c17cnc5nc1.C16CCN3CC1.C3(C)=O.CC7.N45.C46 |
1922435 | CCCn1nc(C)c(CNC(=O)C(c2ccc(C)cc2)N(C)C)c1C | [C][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][C] | n16nc(C)c7c1C.c18ccc(C)cc1.C3(=O)C58.CCC6.N5(C)C.C47.N34 |
1922436 | COCCc1noc(-c2c[nH]nc2-c2cccc(OC)c2)n1 | [C][O][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c17cccc4c1.c15noc6n1.c16c[nH]nc17.C3C5.CO3.O4C |
1922437 | CN(C)C(C(=O)NCCCC1CCCC1)c1ccccc1F | [C][N][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.C36C2=O.C15CCCC1.C4CC5.CN3C.N24 |
1922438 | CN(C)C(=O)N1CCCC(C(=O)NCCNC(=O)c2cccnc2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | N14CCCC9C1.c1%10cccnc1.CN3C.C34=O.C59=O.C7C8.C6%10=O.N57.N68 |
1922439 | CCc1cc(NC2CC3C(=O)N(C)CC(=O)N3C2)ncn1 | [C][C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][Ring1][N][=N][C][=N][Ring2][Ring1][Ring1] | C15CC2C(=O)N(C)CC(=O)N2C1.c16cc4ncn1.CC6.N45 |
1922440 | CN(C)C(C(=O)NCc1ccc(CO)cc1)c1ccc(F)cc1 | [C][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc7cc1.c15ccc(F)cc1.C35C2=O.CN3C.N24.C46.C7O |
1922441 | CN(Cc1nccs1)C(=O)C(c1cccc(F)c1)N(C)C | [C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C] | c16cccc(F)c1.c15nccs1.C2(=O)C46.CN23.N4(C)C.C35 |
1922442 | CC(C)CC1CN(c2cc(C(C)C)ncn2)CCO1 | [C][C][Branch1][C][C][C][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=N][Ring1][=Branch2][C][C][O][Ring1][#C] | C14CN3CCO1.c13cc5ncn1.CC(C)C4.C5(C)C |
1922443 | Cc1nc2cc(CC(=O)N3CCC4(CC3)OCCCC4O)ccc2[nH]1 | [C][C][=N][C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][O][=C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] | N15CCC2(CC1)OCCCC2O.Cc1nc2cc6ccc2[nH]1.C6C5=O |
1922444 | CCc1nnc(CNC(=O)c2cc(Cl)c(C)c(Cl)c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][S][Ring2][Ring1][C] | c15cc(Cl)c(C)c(Cl)c1.c16nnc7s1.C35=O.CC6.C47.N34 |
1922445 | Cc1nc(NCCc2nccc(-c3ccccc3)n2)c2cccnc2n1 | [C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | Cc1nc5c2cccnc2n1.c16nccc7n1.c17ccccc1.C4C6.N45 |
1922446 | COc1ccnc(N2CCN(c3nnc(C)o3)CC2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] | c14ccnc5n1.N15CCN6CC1.c16nnc(C)o1.CO4 |
1922447 | CNC(=O)c1nc(Cn2ncc(N3CCCCC3)cc2=O)no1 | [C][N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][Branch1][C][N][N][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Ring1][N][=O][=N][O][Ring2][Ring1][Ring1] | n17ncc5cc1=O.c16nc8no1.N15CCCCC1.C46=O.CN4.C78 |
1922448 | O=C(NCC1CCOc2ccccc2C1)c1ccn2nnnc2c1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | C16CCOc2ccccc2C1.c15ccn2nnnc2c1.O=C35.N34.C46 |
1922449 | CN(CCc1cnn(C)c1)C(=O)c1cccc(S(N)(=O)=O)c1 | [C][N][Branch1][=N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] | c14cccc(S(N)(=O)=O)c1.c15cnn(C)c1.CN23.C3C5.C24=O |
1922450 | CCOCC(O)CN1CCN(C(=O)c2c(C)nsc2NC)CC1 | [C][C][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C][C][C][Ring1][S] | N16CCN3CC1.c18c(C)nsc17.C5C(O)C6.C38=O.CC4.O45.N7C |
1922451 | O=C(NC1CCc2ccccc21)C1CCCCN1C(=O)C1CCCO1 | [O][=C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | N3C1CCc2ccccc21.C15CCCCN14.C16CCCO1.O=C35.C46=O |
1922452 | CCN(C)c1ccccc1CNC(=O)Cc1ccccc1O | [C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c15ccccc16.c17ccccc1O.C2(=O)C7.N35C.CC3.C46.N24 |
1922453 | CCC(C)n1nccc1NC(=O)CN1C(=O)CCCc2sccc21 | [C][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O] | C3(=O)CN1C(=O)CCCc2sccc21.n15nccc14.CCC5C.N34 |
1922454 | Cc1nc(-c2ccc(C(=O)Nc3cccc(-n4cnnc4)c3)cc2)no1 | [C][C][=N][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][=Branch2] | c19ccc7cc1.c16cccc8c1.Cc1nc9no1.n18cnnc1.C57=O.N56 |
1922455 | CCCCn1nccc1NC(=O)CN1C(=O)CCCc2sccc21 | [C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][S][C][=C][C][=Ring1][Branch1][Ring1][O] | C3(=O)CN1C(=O)CCCc2sccc21.n15nccc14.CCCC5.N34 |
1922456 | O=C(Cc1ccc(F)cc1)Nc1n[nH]c2cccc(F)c12 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1] | c14n[nH]c2cccc(F)c12.c15ccc(F)cc1.O=C3C5.N34 |
1922457 | O=C1CC(c2ccccc2)N(Cc2ccc3c(c2)OCCO3)CCN1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][N][Ring2][Ring1][Branch2] | c15ccc2c(c1)OCCO2.O=C1CC6N4CCN1.c16ccccc1.C45 |
1922458 | CN(CC1CCCC1)C(=O)C1CCCN1C(=O)c1ccccc1O | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c16ccccc1O.C15CCCN13.C17CCCC1.CN24.C25=O.C36=O.C47 |
1922459 | COc1ccc(N(C)C(=O)CN2CCc3ccccc32)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=N][Ring2][Ring1][Ring2] | N16CCc2ccccc21.c15ccc7cn1.C4(=O)C6.N47C.CO5 |
1922460 | COCC(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][C] | c18ccc(F)cc1Cl.N13CCCC7C1.C5C3=O.C47=O.CO5.N46.C68 |
1922461 | O=c1cc(N2CCCCC2)cnn1CC1COCCO1 | [O][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Ring1][N][C][C][C][O][C][C][O][Ring1][=Branch1] | O=c1cc3cnn14.N13CCCCC1.C15COCCO1.C45 |
1922462 | COc1nc(C)cc(C)c1-c1nc2c([nH]1)CCCNC2=O | [C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][N][C][Ring1][Branch2][=O] | c14nc2c([nH]1)CCCNC2=O.c13nc(C)cc(C)c14.CO3 |
1922463 | COC(=O)CC1Oc2ccccc2N(Cc2nccs2)C1=O | [C][O][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][S][=O] | C14Oc2ccccc2N(C5)C1=O.c15nccs1.C3(=O)C4.CO3 |
1922464 | CN(CCNc1nnc(C2CC2)o1)S(C)(=O)=O | [C][N][Branch2][Ring1][C][C][C][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c16nnc7o1.S5(C)(=O)=O.CN35.C3C4.C17CC1.N46 |
1922465 | Cc1ncsc1CCN(C)C(=O)c1ccc(-c2cc[nH]n2)cc1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O] | c15ccc7cc1.Cc1ncsc16.c17cc[nH]n1.C6C4.N34C.C35=O |
1922466 | NS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cccnc2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc(F)c5c1.c16cccnc1.C35=O.C4C6.N34 |
1922467 | CC(C)c1ccnc(NC2COCC2N2CCCC2)n1 | [C][C][Branch1][C][C][C][=C][C][=N][C][Branch1][S][N][C][C][O][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][=N][Ring1][P] | c16ccnc3n1.C14COCC15.N15CCCC1.CC6C.N34 |
1922468 | CN(CCC1CCOCC1)C(=O)C1CC(=O)N(Cc2cccnc2)C1 | [C][N][Branch1][O][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N] | C15CC(=O)N6C1.C17CCOCC1.c18cccnc1.CN34.C4C7.C35=O.C68 |
1922469 | Cn1c(C2CCCN2C(=O)CNC(N)=O)nc2ccccc21 | [C][N][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c6nc2ccccc21.C16CCCN13.C3(=O)C5.C4(N)=O.N45 |
1922470 | CC(C)c1cc(-c2nc(-c3cn4ccccc4n3)no2)no1 | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C][=N][O][Ring2][Ring1][Ring1] | c17cn2ccccc2n1.c15cc6no1.c16nc7no1.CC5C |
1922471 | CC(=O)c1cnc(NCc2csc(-c3ncccn3)n2)nc1C | [C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][S][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][N][=C][Ring2][Ring1][Ring1][C] | c16cnc5nc1C.c17csc8n1.c18ncccn1.CC6=O.N45.C47 |
1922472 | Cc1n[nH]c(C)c1CCCNC(=O)c1cnc(-c2ccncc2)nc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N] | Cc1n[nH]c(C)c16.c15cnc7nc1.c17ccncc1.C6CC4.C35=O.N34 |
1922473 | COCC1(NC(=O)C(c2cccc(F)c2)N(C)C)CCCC1 | [C][O][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][C][C][C][Ring2][Ring1][Ring1] | c18cccc(F)c1.C157CCCC1.C3(=O)C68.N6(C)C.CO4.C47.N35 |
1922474 | CN(C)C(C(=O)NCc1nc2ccccc2n1C)c1ccccc1F | [C][N][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n1C.c17ccccc1F.C47C3=O.CN4C.N35.C56 |
1922475 | Cc1ccc(CNC(=O)c2coc(CN3CCOCC3)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][O][Ring2][Ring1][Branch1] | Cc1ccc8o1.c17coc9c1.N16CCOCC1.C47=O.C58.N45.C69 |
1922476 | CN(Cc1cccc(O)c1)C(=O)C(c1ccccc1F)N(C)C | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C] | c15cccc(O)c1.c16ccccc1F.C2(=O)C46.CN23.N4(C)C.C35 |
1922477 | Cc1ccccc1C(C(=O)NCc1ccc(O)cc1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Branch1][C][C][C] | Cc1ccccc15.c16ccc(O)cc1.C35C2=O.N3(C)C.N24.C46 |
1922478 | CCC(C(=O)NC1CCCC1)n1c(C)cc(C(F)(F)F)cc1=O | [C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][O][=O] | n14c(C)cc5cc1=O.CCC4C2=O.C13CCCC1.C5(F)(F)F.N23 |
1922479 | Cc1cnc(NCc2c(C)ccc3ncccc23)nc1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring1] | c16c(C)ccc2ncccc12.Cc1cnc5nc1.N45.C46 |
1922480 | CCN1CC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1=O | [C][C][N][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=O] | C4CS(=O)(=O)c1ccc(F)cc1.N16CC5CC1=O.C35=O.CC6.N34 |
1922481 | Cn1c(=O)c(C(=O)N2CCCC3(CCOC3)C2)nc2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | Cn1c(=O)c5nc2ccccc21.N14CCCC2(CCOC2)C1.C45=O |
1922482 | O=C1NCCCc2[nH]c(-c3cccc(N4CCCC4)c3)nc21 | [O][=C][N][C][C][C][C][NH1][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][=Ring1][S][Ring2][Ring1][Branch1] | O=C1NCCCc2[nH]c6nc21.c16cccc5c1.N15CCCC1 |
1922483 | Cc1c[nH]c(C(=O)N2CC3CCC2CN(C(=O)c2ccncc2)C3)n1 | [C][C][=C][NH1][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#C][=N][Ring2][Ring1][Branch2] | N14CC2CCC1CN5C2.Cc1c[nH]c6n1.c17ccncc1.C46=O.C57=O |
1922484 | Cc1n[nH]c(C)c1CNC(=O)C(c1ccccc1F)N(C)C | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C] | Cc1n[nH]c(C)c15.c16ccccc1F.C2(=O)C46.N4(C)C.C35.N23 |
1922485 | O=c1c2ccccc2cnn1CCCc1cccnc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=c1c2ccccc2cnn13.c14cccnc1.C3CC4 |
1922486 | CC(Nc1nnc(C2CCC2)o1)c1ccc(F)cc1 | [C][C][Branch1][P][N][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14nnc6o1.C16CCC1.CC35.N34 |
1922487 | CCCN1CC(Nc2nnc(C(C)(C)C)o2)CC1=O | [C][C][C][N][C][C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][C][Ring1][#C][=O] | N15CC4CC1=O.c13nnc6o1.C6(C)(C)C.CCC5.N34 |
1922488 | COc1ccc2c(=O)n(CC(=O)NCC3CCCO3)ccc2c1OC | [C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1][O][C] | c15ccc2c(=O)n8ccc2c16.C19CCCO1.C8C4=O.CO5.N47.C79.O6C |
1922489 | CCc1ncc(C(=O)NCCc2nc(C)cc(=O)[nH]2)cn1 | [C][C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | c17nc(C)cc(=O)[nH]1.c16ncc5cn1.C35=O.C4C7.CC6.N34 |
1922490 | COc1ccc(-c2cn(Cc3n[nH]c4c3CCCCC4)nn2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][S][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][N][=N][Ring1][S][C][=N][Ring2][Ring1][=Branch1] | c17n[nH]c2c1CCCCC2.c15ccc8cn1.c18cn6nn1.CO5.C67 |
1922491 | c1csc(Cc2nc(CNc3nnc(C4CC4)o3)no2)c1 | [C][=C][S][C][Branch2][Ring1][O][C][C][=N][C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][=N][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | c18nc9no1.c16nnc%10o1.c1csc7c1.C1%10CC1.C78.C59.N56 |
1922492 | CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C(c1ccccc1F)N(C)C | [C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][C][C][C] | c17ccccc1F.c15cc6n[nH]1.C2(=O)C47.C6(C)(C)C.CN23.N4(C)C.C35 |
1922493 | CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)ncc1F | [C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=C][Ring2][Ring1][C][F] | c16ccc(S(N)(=O)=O)cc1.c14nc5ncc1F.CN4C.N35.C36 |
1922495 | COCc1cc(CNC(=O)c2coc(CN3CCOCC3)c2)n[nH]1 | [C][O][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][=N][NH1][Ring2][Ring1][Branch1] | c19cc%10n[nH]1.c18coc%11c1.N17CCOCC1.C48=O.CO5.C59.C6%10.N46.C7%11 |
1922496 | Cc1cc(C2CCCN2C(=O)c2cnc(-c3ccncc3)nc2)on1 | [C][C][C][=C][Branch2][Ring1][=C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][O][N][=Ring2][Ring1][Branch2] | c15cnc7nc1.Cc1cc6on1.C16CCCN14.c17ccncc1.C45=O |
1922497 | CC(C)(C)c1oc(C(N)=O)cc1Cn1ccc2ncccc2c1=O | [C][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=Ring1][Branch2][C][N][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n14ccc2ncccc2c1=O.c15oc3cc16.CC5(C)C.C3(N)=O.C46 |
1922498 | Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cc(C3CC3)[nH]n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=C][Ring2][Ring1][Branch2] | Cc1cc7cc(C)c1.n17nc(C)cc15.c16cc8[nH]n1.C46=O.C18CC1.N45 |
1922499 | Cc1ccccc1NC(=O)c1ccnc2ccccc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2ccccc12.Cc1ccccc14.C35=O.N34 |
1922500 | COc1nccc(N2CCCC3(CCOC3)C2)c1C#N | [C][O][C][=N][C][=C][C][Branch1][P][N][C][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2][=C][Ring1][S][C][#N] | N15CCCC2(CCOC2)C1.c14nccc5c1C#N.CO4 |
1922501 | Cc1cc(C)c2c(NC3CCCc4sc(C)nc43)ncnc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][Ring1][#Branch2][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c5ncnc2n1.N5C1CCCc2sc(C)nc21 |
1922502 | CC(C)(C)n1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1] | N14CCCN5CC1.c15ccc(F)cc1.n17ccc6c1.CC7(C)C.C46=O |
1922503 | CN(CCCNC(=O)C1CC2C=CC1C2)C(=O)C1CCC1 | [C][N][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2] | C17CC2C=CC1C2.C5CC6.C18CCC1.CN45.C37=O.C48=O.N36 |
1922504 | CCc1nc(COC(=O)C2CCCN(C(=O)C(C)C)C2)cs1 | [C][C][C][=N][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][O][=C][S][Ring2][Ring1][Ring2] | C16CCCN4C1.c17nc8cs1.C4(=O)C(C)C.C36=O.CC7.C58.O35 |
1922505 | CC(NC(=O)NCCCc1ccccc1Cl)c1nncn1C | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][N][=C][N][Ring1][Branch1][C] | c17ccccc1Cl.c16nncn1C.C5CC7.CC46.C23=O.N24.N35 |
1922506 | CSc1ccsc1C(=O)NCC(O)COc1cccc(F)c1 | [C][S][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.c17ccsc16.C5C(O)C3.C26=O.CS7.N25.O34 |
1922507 | COCCN(C)C(=O)C1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 | [C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][P] | c19ccc2[nH]ccc2c1.C18CCCN5C1.C6C7.N47C.C48=O.C59=O.CO6 |
1922508 | Cc1cc(NC(=O)NC2CCCNC2=O)n(C)n1 | [C][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=O][N][Branch1][C][C][N][=Ring1][P] | Cc1cc5n(C)n1.C16CCCNC1=O.C34=O.N35.N46 |
1922509 | Cc1ccc(C)n1C1CCN(C(=O)C(C)NC(=O)c2ccco2)CC1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][C] | Cc1ccc(C)n17.C17CCN3CC1.C3(=O)C5C.c16ccco1.C46=O.N45 |
1922510 | COc1cc(C2(C(=O)N3CC4CCC3C4)CC2)ccc1C | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][C] | c16cc8ccc1C.N15CC2CCC1C2.C178CC1.C57=O.CO6 |
1922511 | CCS(=O)(=O)N1CCN(Cc2nnnn2C)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][=N] | N14CCN3CC1.c15nnnn1C.CCS4(=O)=O.C35 |
1922513 | Cc1nc(C2CN(c3nc4ccccc4s3)CCO2)no1 | [C][C][=N][C][Branch2][Ring1][Branch2][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][O][Ring1][#C][=N][O][Ring2][Ring1][Ring2] | c15nc2ccccc2s1.C16CN5CCO1.Cc1nc6no1 |
1922514 | Cc1nnc(CSc2nnnn2-c2ccc(Cl)cc2)n1C | [C][C][=N][N][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][C] | Cc1nnc4n1C.c15ccc(Cl)cc1.c16nnnn15.C34.S36 |
1922515 | CCn1cnnc1C1CCCN(c2ncnc3sc(C)c(C)c23)C1 | [C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][Ring1][P] | c14ncnc2sc(C)c(C)c12.C16CCCN4C1.n15cnnc16.CC5 |
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