ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1932677 | CCc1nc(CNc2nccc3occc23)cs1 | [C][C][C][=N][C][Branch1][S][C][N][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][S][Ring1][S] | c15nccc2occc12.c16nc7cs1.CC6.C47.N45 |
1932679 | Cc1cc(O)ccc1NC(=O)Nc1cnc2c(c1)c(C)nn2C | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c16cnc2c(c1)c(C)nn2C.Cc1cc(O)ccc15.C34=O.N35.N46 |
1932680 | Cc1ccc(C(=O)NC2CC2)cc1NCc1ccc(O)cc1 | [C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cc1ccc7cc15.c18ccc(O)cc1.C37=O.C16CC1.N36.N45.C48 |
1932681 | CCc1nn(C)cc1NC(=O)Nc1ccc(O)cc1C | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C] | c15ccc(O)cc1C.c16nn(C)cc14.C23=O.CC6.N24.N35 |
1932682 | Cc1cc(O)ccc1NC(=O)Nc1ccc2c(c1)COC2 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1] | c16ccc2c(c1)COC2.Cc1cc(O)ccc15.C34=O.N35.N46 |
1932683 | Cc1nnc(-c2ccc(NC(=O)Nc3ccc(O)c(C)c3)cc2)o1 | [C][C][=N][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] | c17ccc(O)c(C)c1.c18ccc6cc1.Cc1nnc8o1.C45=O.N46.N57 |
1932684 | CN(C)C(=O)C1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring1] | C16CCN5CC1.c17ccnc8c1.n18cncn1.CN4C.C46=O.C57=O |
1932685 | CC(=O)N1CC(C(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)C1 | [C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2][C][Ring2][Ring1][Ring2] | c18ccc2c(c1)NC(=O)CO2.N14CC7C1.CC4=O.C57=O.C68C.N56 |
1932686 | Cc1noc(CN2CCN(Cc3ccc[nH]3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] | N14CCN5CC1.Cc1noc6n1.c17ccc[nH]1.C46.C57 |
1932687 | CSc1cc(C(=O)N2CCN(c3ccccc3O)CC2)ccn1 | [C][S][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N][=C][C][=N][Ring2][Ring1][Branch1] | c17cc6ccn1.N14CCN5CC1.c15ccccc1O.C46=O.CS7 |
1932688 | CC(=O)N1CC(C(=O)NC(c2ccccc2)C2CCCCC2)C1 | [C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] | c18ccccc1.C17CCCCC1.N13CC6C1.CC3=O.C46=O.C578.N45 |
1932689 | Cc1cc(NC(=O)c2oc3c(C)cccc3c2C)ccn1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][C][=N][Ring2][Ring1][Ring2] | c16oc2c(C)cccc2c1C.Cc1cc5ccn1.C46=O.N45 |
1932690 | NC(=O)C1CCCCN1C(=O)c1ccnc(-n2cncn2)c1 | [N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | C14CCCCN13.c15ccnc6c1.n16cncn1.NC4=O.C35=O |
1932692 | NC(=O)c1csc(C(=O)Nc2nnc(C3CC3)s2)c1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][=C][Ring1][S] | c17csc6c1.c15nnc8s1.NC7=O.C46=O.C18CC1.N45 |
1932694 | CN(Cc1nccn1C(F)F)C(=O)c1ccnc(-n2cncn2)c1 | [C][N][Branch1][=C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | c15ccnc8c1.c17nccn16.n18cncn1.CN34.C6(F)F.C35=O.C47 |
1932695 | CC(C)(C)c1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c17ccc8cc1.c16ccnc9c1.n19cncn1.CC7(C)C.C46=O.C58.N45 |
1932696 | Cc1c(C(=O)NCC(O)c2ccc(F)cc2)oc2c(C)cccc12 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1] | Cc1c5oc2c(C)cccc12.c16ccc(F)cc1.C4C6O.C35=O.N34 |
1932697 | O=C(Cn1ccc2ccc(Cl)cc21)NCC(O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | n15ccc2ccc(Cl)cc21.c16ccc(F)cc1.O=C3C5.C4C6O.N34 |
1932698 | CN(c1ccccc1)c1ccccc1C(=O)NCC(O)c1ccco1 | [C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1] | c15ccccc16.c14ccccc1.c17ccco1.C3C7O.CN45.C26=O.N23 |
1932699 | O=C1NCCN(C(=O)CC2C=CCC2)C1c1ccccc1Cl | [O][=C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1NCCN3C15.c15ccccc1Cl.C14C=CCC1.C3(=O)C4 |
1932700 | Cn1cc(CNc2cccc(NC(=O)CO)c2)c(C2CCCCC2)n1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][O][=C][Ring1][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | Cn1cc7c8n1.c15cccc6c1.C18CCCCC1.C3(=O)CO.C47.N45.N36 |
1932703 | O=C(Cc1cc(F)ccc1F)NCc1ccc2[nH]c(=O)[nH]c2c1 | [O][=C][Branch1][=C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2[nH]c(=O)[nH]c2c1.c15cc(F)ccc1F.O=C3C5.N34.C46 |
1932704 | COc1cccc(CC2CCN(C(=O)C3CCOCC3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1] | c15cccc8c1.C17CCN4CC1.C16CCOCC1.C46=O.CO5.C78 |
1932706 | CC(CN1CCOCC1)OC(=O)c1cncc(Br)c1 | [C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cncc(Br)c1.N14CCOCC1.CC3C4.C25=O.O23 |
1932707 | CC(CN1CCOCC1)OC(=O)c1ccc(C(F)(F)F)nc1 | [C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2] | c15ccc6nc1.N14CCOCC1.CC3C4.C6(F)(F)F.C25=O.O23 |
1932708 | CC(=O)c1ccc(C(=O)OCCC2CCCCO2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.C17CCCCO1.CC5=O.C36=O.C4C7.O34 |
1932709 | Cc1n[nH]c(C)c1C(C)C(=O)NCc1csc(-c2ccccc2)n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | Cc1n[nH]c(C)c16.c15csc7n1.c17ccccc1.C6(C)C3=O.N34.C45 |
1932710 | CN(C)S(=O)(=O)CC(=O)NCC1(c2ccc(F)cc2)CCCC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | S5(=O)(=O)CC3=O.c17ccc(F)cc1.C167CCCC1.CN5C.N34.C46 |
1932711 | Cc1ccccc1OCCN1CCN(C(=O)c2ccc(F)cn2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C][Ring1][#C] | Cc1ccccc15.N16CCN3CC1.c17ccc(F)cn1.C4C6.C37=O.O45 |
1932712 | CN(C)S(=O)(=O)CC(=O)NC1(c2ccc(Cl)cc2)CCCC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | S5(=O)(=O)CC3=O.c16ccc(Cl)cc1.C146CCCC1.CN5C.N34 |
1932713 | O=C1NCCN(C(=O)CCn2cncn2)C1c1ccccc1Cl | [O][=C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1NCCN3C15.c15ccccc1Cl.C3(=O)CC4.n14cncn1 |
1932714 | Cc1nn(C)c2[nH]nc(NC(=O)CCCOC(C)C)c12 | [C][C][=N][N][Branch1][C][C][C][NH1][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2[nH]nc6c12.C3(=O)CCC4.C5(C)C.N36.O45 |
1932715 | COC(=O)C1(NC(=O)Nc2ccc(Br)cc2F)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] | c17ccc(Br)cc1F.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1932716 | CC1(C2CCCN(C(=O)c3nccc4ccccc34)C2)OCCO1 | [C][C][Branch2][Ring1][#C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][C][O][C][C][O][Ring2][Ring1][#Branch1] | c16nccc2ccccc12.C17CCCN5C1.CC17OCCO1.C56=O |
1932717 | CN(C)S(=O)(=O)CC(=O)NC1(c2cccc(Cl)c2)CCCC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | S5(=O)(=O)CC3=O.c16cccc(Cl)c1.C146CCCC1.CN5C.N34 |
1932718 | COC(=O)C1(NC(=O)Nc2cc(F)ccc2Cl)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][#C] | c17cc(F)ccc1Cl.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1932719 | Cc1ccc2[nH]c(C(=O)NCC(=O)c3ccco3)cc2c1C | [C][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C] | Cc1ccc2[nH]c6cc2c1C.c17ccco1.C5C7=O.C46=O.N45 |
1932720 | O=C(CNC(=O)c1csc2ccccc12)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] | c16csc2ccccc12.c15ccco1.O=C5C4.C36=O.N34 |
1932721 | COC(=O)C1(NC(=O)Nc2cccc(C(F)(F)F)c2C)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][C] | c17cccc9c1C.C168CC1.C9(F)(F)F.C38=O.C45=O.CO3.N46.N57 |
1932722 | COC(=O)C1(NC(=O)Nc2ccc(Cl)cc2Br)CC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][C][C][Ring1][#C] | c17ccc(Cl)cc1Br.C168CC1.C38=O.C45=O.CO3.N46.N57 |
1932723 | O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1nccc2ccccc12 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16ccc2[nH]c(=O)[nH]c2c1.c15nccc2ccccc12.O=C35.N34.C46 |
1932724 | CCOCC1CCN(C(=O)Nc2ccc(C)cn2)C1 | [C][C][O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][Ring1][#C] | c17ccc(C)cn1.C18CCN3C1.C34=O.CC5.O56.C68.N47 |
1932725 | Cc1ccc(NC(=O)NCC(=O)NCC2CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][C] | Cc1ccc8nc1.C6C5=O.C34=O.C19CC1.N38.N46.N57.C79 |
1932726 | CSc1c(F)cc(NC(=O)NCC2CCCO2)cc1F | [C][S][C][=C][Branch1][C][F][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][P][F] | c18c(F)cc6cc1F.C17CCCO1.C34=O.CS8.N36.N45.C57 |
1932727 | CSc1c(F)cc(NC(=O)Nc2c(C)n[nH]c2C)cc1F | [C][S][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][F] | c17c(F)cc5cc1F.c16c(C)n[nH]c1C.C34=O.CS7.N35.N46 |
1932729 | CSc1c(F)cc(NC(=O)N(C)CC2CCCO2)cc1F | [C][S][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][F] | c18c(F)cc6cc1F.C17CCCO1.C34=O.N45C.CS8.N36.C57 |
1932730 | CNC(=O)C(C)(C)CNC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | C3(=O)C(C)(C)C6.c17nc8cs1.c19ccccc1.C45=O.CN3.N46.N57.C89 |
1932731 | CN(C)C(=O)CCNC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c17nc8cs1.c19ccccc1.C3(=O)CC6.CN3C.C45=O.N46.N57.C89 |
1932732 | Cc1c(CNC(=O)Nc2nc(Cc3ccccc3)cs2)cnn1C | [C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N][C][=N][N][Ring2][Ring1][=Branch1][C] | Cc1c9cnn1C.c17nc8cs1.c1%10ccccc1.C45=O.C69.N46.N57.C8%10 |
1932733 | CCNC(=O)CNC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c18nc9cs1.c1%10ccccc1.C3(=O)C7.C45=O.CC6.N36.N47.N58.C9%10 |
1932734 | CCN(C)C(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.N35C.C34=O.CC5.N46.C78 |
1932735 | CCC(CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.CCC5CO.C34=O.N35.N46.C78 |
1932736 | CN1CCOC(C(=O)Nc2nc(Cc3ccccc3)cs2)C1 | [C][N][C][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N][C][Ring2][Ring1][Branch1] | CN1CCOC6C1.c15nc7cs1.c18ccccc1.C46=O.N45.C78 |
1932737 | Cc1cc(C(=O)Nc2cc(N(C)C)ccn2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=N][Ring1][=Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] | Cc1cc6cc(=O)[nH]1.c14cc5ccn1.C36=O.N5(C)C.N34 |
1932738 | CN(C)c1ccnc(NC(=O)c2cccc3cn[nH]c23)c1 | [C][N][Branch1][C][C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring2][Ring1][C] | c17cccc2cn[nH]c12.c16ccnc5c1.CN6C.C47=O.N45 |
1932739 | C=CCCCC(C)NC(=O)N1CCOCC2(CCOCC2)C1 | [C][=C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N] | N14CCOCC2(CCOCC2)C1.C=CCCCC5C.C34=O.N35 |
1932740 | CCc1nc(C(=O)NCc2ccnc(OCc3ccccc3)c2)co1 | [C][C][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=C][O][Ring2][Ring1][#Branch1] | c1%10ccnc6c1.c19nc8co1.c1%11ccccc1.C48=O.CC9.N47.C7%10.O56.C5%11 |
1932741 | CCC(NC(=O)c1cc(OC)no1)c1ncc(C)s1 | [C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1] | c15cc3no1.c16ncc(C)s1.CCC46.C25=O.N24.O3C |
1932742 | CCc1nc(C(=O)NC(C)c2nc(-c3ccccc3OC)no2)co1 | [C][C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][O][Ring1][=N][=C][O][Ring2][Ring1][#Branch1] | c1%10ccccc15.c18nc7co1.c19nc%10no1.C47=O.C69C.CC8.N46.O5C |
1932743 | Cc1nc2ncc(C(=O)N(C)c3ccc4nc(C)sc4c3)cc2[nH]1 | [C][C][=N][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] | Cc1nc2ncc7cc2[nH]1.c16ccc2nc(C)sc2c1.C57=O.N56C |
1932744 | CN(C)C(=O)c1cc(NC(=O)c2ccc3c(c2)N(C)CC3)ccc1F | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][F] | c18ccc2c(c1)N(C)CC2.c17cc6ccc1F.CN4C.C47=O.C58=O.N56 |
1932745 | CN1CCc2ccc(C(=O)NC3CCN(c4ncccc4F)C3)cc21 | [C][N][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][N][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | CN1CCc2ccc8cc21.c16ncccc1F.C17CCN6C1.C58=O.N57 |
1932746 | Cc1noc(-c2ccccc2)c1C(=O)N1CCOC2(CCOCC2)C1 | [C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O] | N13CCOC2(CCOCC2)C1.Cc1noc5c14.c15ccccc1.C34=O |
1932747 | O=C(NCc1nc(-c2ccncc2)no1)c1c[nH]c2cc(F)ccc12 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c15c[nH]c2cc(F)ccc12.c16nc7no1.c17ccncc1.O=C35.N34.C46 |
1932748 | Cc1noc(C2COCCN2c2ncnc3cc(F)c(F)cc23)n1 | [C][C][=N][O][C][Branch2][Ring1][=N][C][C][O][C][C][N][Ring1][=Branch1][C][=N][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][Branch2][=N][Ring2][Ring1][#Branch1] | c14ncnc2cc(F)c(F)cc12.C15COCCN14.Cc1noc5n1 |
1932749 | COc1ccc(C(N)=O)cc1NCc1cn(C)nc1C1CCCCC1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c12ccc5cc14.c16cn(C)nc17.C17CCCCC1.C5(N)=O.CO2.N34.C36 |
1932750 | O=C(NCCNc1noc(-c2ccccc2)n1)c1ccc(O)cc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][N][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c17ccc(O)cc1.c16noc8n1.c18ccccc1.O=C37.C4C5.N34.N56 |
1932751 | CCn1cc(CN2CCC(Oc3ccc(F)cc3)C2)cn1 | [C][C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=N][Ring2][Ring1][Ring1] | c15ccc(F)cc1.n17cc8cn1.N16CCC4C1.CC7.C68.O45 |
1932752 | Fc1ccc(OC2CCN(Cc3cncs3)C2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][C][N][Branch1][=Branch2][C][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][O][C][=C][Ring2][Ring1][C] | Fc1ccc5cc1.C14CCN6C1.c17cncs1.O45.C67 |
1932753 | Cc1nc2ncc(C(=O)N(C)c3nc4ccccc4s3)cc2[nH]1 | [C][C][=N][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1] | Cc1nc2ncc7cc2[nH]1.c16nc2ccccc2s1.C57=O.N56C |
1932754 | C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)N(C)CC3)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][P][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] | c18ccc2c(c1)N(C)CC2.C#Cc1cccc7c1.C6C4=O.N567.C58=O.N4C |
1932755 | COc1cc(C(=O)N2CCCc3cccc(Cl)c32)on1 | [C][O][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O][O][N][=Ring2][Ring1][C] | N14CCCc2cccc(Cl)c21.c15cc6on1.C46=O.CO5 |
1932756 | COc1cc(C(=O)N2CCCc3c(Cl)ccc(OC)c32)on1 | [C][O][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][Ring1][=N][O][N][=Ring2][Ring1][Ring2] | N14CCCc2c(Cl)ccc6c21.c15cc7on1.C47=O.CO5.O6C |
1932757 | COc1cc(C(=O)N2CCCc3cc(Cl)cc(F)c32)on1 | [C][O][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][N][O][N][=Ring2][Ring1][Ring1] | N14CCCc2cc(Cl)cc(F)c21.c15cc6on1.C46=O.CO5 |
1932758 | Cc1nc2cc(C(=O)OC(c3cnn(C)c3)C(F)(F)F)cnc2[nH]1 | [C][C][=N][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] | Cc1nc2cc6cnc2[nH]1.C57C(F)(F)F.c17cnn(C)c1.C46=O.O45 |
1932759 | Cn1c(CNC(=O)c2cccc3[nH]ccc23)nnc1C1CCC1 | [C][N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][N][=C][Ring2][Ring1][C][C][C][C][C][Ring1][Ring2] | c16cccc2[nH]ccc12.Cn1c7nnc18.C18CCC1.C46=O.C57.N45 |
1932760 | COc1cc(C(=O)N2CCSc3ccc(C(F)(F)F)cc32)on1 | [C][O][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C][O][N][=Ring2][Ring1][Branch1] | N14CCSc2ccc7cc21.c15cc6on1.C7(F)(F)F.C46=O.CO5 |
1932761 | Cc1cc(NC(=O)c2ccc3c(c2)N(C)CC3)ccc1S(C)(=O)=O | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc5ccc1S(C)(=O)=O.c16ccc2c(c1)N(C)CC2.C46=O.N45 |
1932762 | CC(NCCCC#N)c1nc(-c2ccccc2)cs1 | [C][C][Branch1][#Branch1][N][C][C][C][C][#N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15nc6cs1.c16ccccc1.C4CCC#N.CC35.N34 |
1932763 | CN1CCc2ccc(C(=O)N(C)c3cccc(S(C)(=O)=O)c3)cc21 | [C][N][C][C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | CN1CCc2ccc6cc21.c15cccc(S(C)(=O)=O)c1.C46=O.N45C |
1932764 | O=C(CCNC(=O)c1csc2ccccc12)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c17csc2ccccc12.c18ccccn1.O=C3CC5.C47=O.N45.N36.C68 |
1932765 | Cc1cscc1C(=O)NCCC(=O)NCc1ccccn1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cscc16.c17ccccn1.C4CC3=O.C26=O.N24.N35.C57 |
1932766 | Cc1nccc(NC(=O)NCc2ccncc2)c1Cl | [C][C][=N][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][P][Cl] | Cc1nccc6c1Cl.c17ccncc1.C34=O.N36.N45.C57 |
1932768 | Cc1cccc(NC(=O)NCCc2ccccn2)n1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cccc6n1.c17ccccn1.C34=O.C5C7.N36.N45 |
1932769 | CC1CCOC1C(=O)NCc1nnc(C2CCC2)n1C | [C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Ring1][=Branch2][C] | c16nnc7n1C.CC1CCOC15.C17CCC1.C35=O.N34.C46 |
1932770 | OCc1ccccc1CNc1nnc(Cc2ccc(F)cc2)s1 | [O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccccc17.c18ccc(F)cc1.c14nnc5s1.OC6.C37.N34.C58 |
1932771 | CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CCC(C#N)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][O][N][C][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch2] | c16cnc2c(c(C)nn2C)c15.N15CCC(C#N)CC1.C36=O.CC4.O34 |
1932772 | CCc1ccccc1C(=O)Nc1cc2c(=O)[nH]cnc2cc1F | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][=C][Ring1][O][F] | c14cc2c(=O)[nH]cnc2cc1F.c16ccccc15.C35=O.CC6.N34 |
1932773 | CN(C)c1ccc(C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)c(F)c1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][=C][Ring1][O][F][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1] | c16cc2c(=O)[nH]cnc2cc1F.c15ccc7c(F)c1.CN5C.C47=O.N46 |
1932775 | OCC(Cc1ccc(O)cc1)Nc1ncc(Cl)cn1 | [O][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccc(O)cc1.c13ncc(Cl)cn1.OCC2C4.N23 |
1932776 | O=C(Nc1cc2c(=O)[nH]cnc2cc1F)C1CCC(F)(F)CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][=C][Ring1][O][F][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | c14cc2c(=O)[nH]cnc2cc1F.C15CCC(F)(F)CC1.O=C35.N34 |
1932777 | O=C(c1ccnc(OC2CCOC2)c1)N(C1CCCC1)C1CC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][=C][Ring1][N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1] | c18ccnc4c1.C15CCOC1.C16CCCC1.O=C38.N367.C17CC1.O45 |
1932778 | O=S(=O)(NC1CCCC1)C1CCCN(c2cnccn2)C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | O=S3(=O)C1CCCN4C1.c14cnccn1.C15CCCC1.N35 |
1932779 | COC(=O)C(O)CNc1nc2cc(F)ccc2o1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c15nc2cc(F)ccc2o1.C3(=O)C(O)C4.CO3.N45 |
1932780 | Cc1ccc(OC2CCN(c3cnn(C)c(=O)c3Cl)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][N][Branch1][S][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][Cl][C][C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1] | c16cnn(C)c(=O)c1Cl.Cc1ccc4nc1.C15CCN6CC1.O45 |
1932781 | COC(=O)c1ccccc1SCc1cc(C(=O)OC)c(C)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][Ring1][#Branch2] | c15ccccc18.c17cc6c(C)o1.C25=O.C36=O.CO2.S48.C47.O3C |
1932782 | CN(C)c1cc(C(=O)NCCCC(N)=O)c2ccccc2n1 | [C][N][Branch1][C][C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c15cc6c2ccccc2n1.C4CCC(N)=O.CN5C.C36=O.N34 |
1932783 | Cn1nnc2cc(C(=O)NCCc3csc4ccccc34)cnc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | Cn1nnc2cc7cnc21.c18csc2ccccc12.C57=O.C6C8.N56 |
1932784 | CC(CNC(=O)NC(C)c1nnc2ccccn12)c1nccs1 | [C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | c18nnc2ccccn12.c17nccs1.CC7C5.C34=O.C68C.N35.N46 |
1932785 | Cc1cccc(CNC(=O)N2CCOC(CCc3ccccc3)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=N][Ring2][Ring1][Branch2] | Cc1cccc8n1.N15CCOC7C1.c19ccccc1.C45=O.C7C9.C68.N46 |
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