ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1922629 | CCc1ccc(C2CCCN2C(=O)NCCC(=O)N2CCCCC2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][#Branch1] | c17ccc8o1.C18CCCN13.N15CCCCC1.C6CC5=O.C34=O.CC7.N46 |
1922630 | Cn1cc(CCOC(=O)c2csc(Cc3ccccc3F)n2)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=N][C][=N][Ring2][Ring1][#Branch1] | c19ccccc1F.Cn1cc8cn1.c16csc7n1.C8C5.C46=O.O45.C79 |
1922631 | N#Cc1c2n(c(=O)n(C3CCN(CC(F)(F)F)C3=O)c1=O)CCC2 | [N][#C][C][=C][N][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][Ring2][Ring1][C][=O][C][C][C][Ring2][Ring1][Branch1] | N#Cc1c2n(c(=O)n5c1=O)CCC2.C15CCN4C1=O.C4C(F)(F)F |
1922632 | CCc1nc(C)ncc1C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 | [C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][N] | c17nc(C)ncc15.c14ccc6c(Cl)c1.C25=O.C36=O.N3(C)C.CC7.N24 |
1922633 | N#CCCCn1ccc(NC(=O)Cc2cccs2)n1 | [N][#C][C][C][C][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=C] | n15ccc4n1.N#CCCC5.c16cccs1.C3(=O)C6.N34 |
1922634 | COc1ccccc1N1CCCC(Nc2ncccn2)C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][=O] | N16CCCC5C1=O.c13ccccc16.c14ncccn1.CO3.N45 |
1922637 | Cc1nc(-c2ccccc2NC(=O)N2CCCC2CO)no1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][=N][O][Ring2][Ring1][Branch1] | c17ccccc15.Cc1nc7no1.N14CCCC16.C34=O.N35.C6O |
1922638 | O=C(CCn1cnc2sccc2c1=O)Nc1ccsc1 | [O][=C][Branch1][P][C][C][N][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][N][C][C][=C][S][C][=Ring1][Branch1] | n15cnc2sccc2c1=O.O=C3CC5.c14ccsc1.N34 |
1922639 | O=C(N1CC2CCC1C2)C1(c2ccccc2F)CC1 | [O][=C][Branch1][N][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#Branch2] | N13CC2CCC1C2.c15ccccc1F.C145CC1.O=C34 |
1922640 | O=C(NCCCCc1nccs1)c1ccc(Cl)cn1 | [O][=C][Branch1][=N][N][C][C][C][C][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] | c14ccc(Cl)cn1.C3CCC5.c15nccs1.O=C24.N23 |
1922641 | O=C(CN1CCN(C(=O)CC2OCCc3ccccc32)CC1)C1CC1 | [O][=C][Branch2][Ring1][P][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | C4(=O)CC1OCCc2ccccc21.N15CCN4CC1.O=C6C5.C16CC1 |
1922642 | O=C(Nc1cnccc1-n1ccnc1)c1cccc(-n2cccn2)c1 | [O][=C][Branch1][P][N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O] | c14cnccc16.c15cccc7c1.n16ccnc1.n17cccn1.O=C35.N34 |
1922643 | O=C(Cc1cccs1)NCCC(O)(c1ccccc1)C(F)(F)F | [O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C3CC5(O)C(F)(F)F.c15ccccc1.c14cccs1.O=C2C4.N23 |
1922645 | COCCNC(=O)CCNc1cc(C#N)c2ccccc2n1 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][N] | c17cc(C#N)c2ccccc2n1.C3(=O)CC6.C4C5.CO4.N35.N67 |
1922646 | Cc1ccnc(NCc2ccc(N3CCCCC3=O)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][=N][Ring2][Ring1][Branch1] | Cc1ccnc5n1.c16ccc7cc1.N17CCCCC1=O.N45.C46 |
1922647 | Cc1ccnc(NCc2ccc(OCC(N)=O)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1] | Cc1ccnc6n1.c17ccc4cc1.C3C(N)=O.N56.C57.O34 |
1922648 | COCc1ccc(CNc2nccc(C)n2)cc1F | [C][O][C][C][=C][C][=C][Branch1][=C][C][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][#C][F] | c16ccc7cc1F.c15nccc(C)n1.CO3.C36.C47.N45 |
1922649 | c1ccc2oc(-c3nnn(Cc4nc(C5CC5)no4)n3)cc2c1 | [C][=C][C][=C][O][C][Branch2][Ring1][=Branch2][C][N][=N][N][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][=Ring1][=C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c1ccc2oc8cc2c1.c18nnn6n1.c17nc9no1.C19CC1.C67 |
1922650 | Cc1nc(-c2ccccc2C)n(Cc2nc(C3CC3)no2)n1 | [C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][=Ring2][Ring1][Branch1] | Cc1nc7n4n1.c17ccccc1C.c15nc6no1.C16CC1.C45 |
1922651 | CN(C1CC1)S(=O)(=O)N1CCN(c2ncccn2)CC1 | [C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | CN4S(=O)(=O)N1CCN3CC1.c13ncccn1.C14CC1 |
1922652 | Cc1cccc(Cl)c1OCC(=O)Nc1cccc(-n2cnnc2)c1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O] | Cc1cccc(Cl)c15.c16cccc7c1.n17cnnc1.C4C3=O.O45.N36 |
1922653 | FC(F)Oc1ccccc1OCc1nccn1CC(F)(F)F | [F][C][Branch1][C][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F] | c13ccccc14.c16nccn15.C5C(F)(F)F.FC(F)O3.O24.C26 |
1922655 | NC(=O)C1CCN(C(=O)Nc2ccc3c(c2)OCCO3)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.C17CCN4CC1.NC7=O.C45=O.N56 |
1922656 | CCOC(C)c1nc(CSc2nccn2C(C)(C)C)cs1 | [C][C][O][C][Branch1][C][C][C][=N][C][Branch2][Ring1][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][S] | c17nc8cs1.c19nccn16.C6(C)(C)C.C47C.CC3.O34.C58.S59 |
1922657 | C#CCOC1CCN(c2nc3ccccc3cc2CO)CC1 | [C][#C][C][O][C][C][C][N][Branch1][P][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][O][C][C][Ring2][Ring1][C] | c16nc2ccccc2cc17.C15CCN6CC1.C#CC4.O45.C7O |
1922658 | Cc1cc(C)n(CC(=O)Nc2ccc(OC3CCOCC3)c(C)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=C][N][=Ring2][Ring1][Branch2] | c17ccc6c(C)c1.Cc1cc(C)n8n1.C15CCOCC1.C8C4=O.N47.O56 |
1922659 | CN1C(=O)CCN(S(C)(=O)=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | CN1C(=O)CCN3c2ccccc21.S3(C)(=O)=O |
1922661 | O=C(c1cc(N2CCNC2=O)ccc1F)N1CCC(c2ccco2)C1 | [O][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][C][=C][Ring1][N][F][N][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#Branch2] | c14cc5ccc1F.N15CCNC1=O.N13CCC6C1.c16ccco1.O=C34 |
1922662 | COc1ccc(N(CCc2ccccc2)C(=O)c2cnn(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | c14ccc6cc1.c18ccccc1.c17cnn(C)c1.N356.C5C8.C37=O.CO4 |
1922663 | Cc1ncsc1CCN1CCN(C(=O)CCc2ccccc2)CC1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] | N14CCN3CC1.Cc1ncsc15.c16ccccc1.C3(=O)CC6.C5C4 |
1922664 | CCNC(=O)NC1CN(CCc2scnc2C)CC1OC | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][=N][O][C] | C18CN7CC15.c19scnc1C.C34=O.C7C9.CC6.N36.N48.O5C |
1922666 | CN(Cc1ccsc1)C(=O)c1ccccc1OCc1cccnc1 | [C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccccc14.c18cccnc1.c17ccsc1.CN25.C26=O.C57.O34.C38 |
1922667 | O=C(CCNC(=O)c1cnc(-c2ccoc2)s1)Nc1ccncc1 | [O][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][S][Ring1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c17cnc8s1.c16ccncc1.O=C3CC5.c18ccoc1.C47=O.N45.N36 |
1922668 | O=C(CCCc1nc(C2CC2)no1)Nc1ccnn1C1CCCC1 | [O][=C][Branch2][Ring1][C][C][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | O=C3CCC5.c15nc7no1.c14ccnn16.C16CCCC1.C17CC1.N34 |
1922670 | Brc1ccc(NCc2ccccc2Cn2cncn2)nc1 | [Br][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring2][Ring1][Ring2] | Brc1ccc4nc1.c16ccccc17.n15cncn1.N34.C36.C57 |
1922671 | Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)nc(C2CC2)n1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1] | N14CCn2c5nnc2C1.Cc1cc4nc6n1.C5(F)(F)F.C16CC1 |
1922672 | CCCS(=O)(=O)N(Cc1ccc(O)cc1)C1CCCCC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc(O)cc1.CCCS3(=O)=O.C14CCCCC1.N234.C25 |
1922673 | COc1cccc2cc(CNC(=O)NCC(O)c3ccsc3)oc12 | [C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][O][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | c16cccc2cc9oc12.c1%10ccsc1.C8C%10O.C45=O.CO6.C79.N47.N58 |
1922674 | C=C(C)CN(CC)C(=O)Nc1ccc(OC2CCOC2)cc1 | [C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][N] | c19ccc6cc1.C15CCOC1.C=C(C)C7.N378.C34=O.C8C.N49.O56 |
1922675 | Cn1nccc1C(=O)NC(COCc1ccccc1)c1ccccc1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1nccc16.c18ccccc1.c17ccccc1.C57C3.C26=O.N25.O34.C48 |
1922676 | N#Cc1nnc2ccccc2c1NCc1coc(-c2cccs2)n1 | [N][#C][C][=N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | N#Cc1nnc2ccccc2c14.c15coc6n1.c16cccs1.N34.C35 |
1922678 | O=C(NCC1CCCCC1OCC(F)(F)F)c1n[nH]c(=O)[nH]1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1] | C17CCCCC14.c16n[nH]c(=O)[nH]1.C3C(F)(F)F.O=C26.N25.C57.O34 |
1922680 | COC1CCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1 | [C][O][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][C][Ring2][Ring1][Branch1] | C15CCCN4C1.C17CN6CCO1.c18ccccc1.C47=O.CO5.C68 |
1922681 | Cc1ccc2cccc(C(=O)NC(C)C(C)n3cncn3)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch1] | Cc1ccc2cccc6c2n1.C5(C)C7C.n17cncn1.C46=O.N45 |
1922682 | Cn1ccnc1C(=O)N1CCCN(CC(F)(F)F)CC1 | [C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] | N12CCCN3CC1.Cn1ccnc14.C3C(F)(F)F.C24=O |
1922683 | CC(NC(=O)Nc1cccnc1)C1CN(Cc2ccccc2)CCO1 | [C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N] | C18CN6CCO1.c17cccnc1.c19ccccc1.CC58.C34=O.N35.N47.C69 |
1922684 | CCc1cc(CNC(=O)NC2COc3c2ccc(C)c3C)on1 | [C][C][C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][Branch1][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][O][N][=Ring2][Ring1][Branch1] | N5C1COc2c1ccc(C)c2C.c17cc8on1.C45=O.CC7.C68.N46 |
1922685 | CC(C)C(NC(=O)NC1C2CCOC2C1(C)C)c1ccncc1 | [C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C16C2CCOC2C1(C)C.c17ccncc1.CC(C)C57.C34=O.N35.N46 |
1922686 | CC(C)c1nc(C(=O)NCCNc2ncnc3ccccc23)c[nH]1 | [C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][NH1][Ring2][Ring1][Branch1] | c17ncnc2ccccc12.c19nc8c[nH]1.CC9C.C48=O.C5C6.N45.N67 |
1922687 | CN(C)C(=O)c1cccc(NC(=O)Cc2cn3ccsc3n2)n1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=N][Ring2][Ring1][C] | c18cn2ccsc2n1.c17cccc6n1.C5(=O)C8.CN4C.C47=O.N56 |
1922688 | Cc1nc(CC(=O)Nc2cccc(C(=O)N(C)C)n2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][O][=C][S][Ring2][Ring1][Ring2] | c15cccc6n1.Cc1nc7cs1.C7C3=O.C46=O.N4(C)C.N35 |
1922689 | Cc1nccn1Cc1ccc(NC(=O)Cc2ccn[nH]2)cc1 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc4cc1.Cc1nccn15.c16ccn[nH]1.C3(=O)C6.C57.N34 |
1922690 | O=C(OCc1ccccn1)c1ccnc(OCC(F)(F)F)c1 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=N][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N] | c16ccnc5c1.c17ccccn1.C4C(F)(F)F.O=C26.O23.C37.O45 |
1922691 | CCC(C)c1cc(C(=O)Nc2c(N(C)C)ccnc2OC)on1 | [C][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][N][=C][Ring1][=Branch2][O][C][O][N][=Ring2][Ring1][Ring1] | c15c6ccnc14.c18cc7on1.CCC8C.C37=O.N6(C)C.N35.O4C |
1922693 | O=C(c1ccnc(OCC(F)(F)F)c1)N1CCc2[nH]ncc2C1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][N][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | N13CCc2[nH]ncc2C1.c16ccnc5c1.C4C(F)(F)F.O=C36.O45 |
1922694 | C#CCN1CCN(C(=O)c2ccnc(OCC(F)(F)F)c2)CC1 | [C][#C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | N16CCN3CC1.c17ccnc5c1.C4C(F)(F)F.C#CC6.C37=O.O45 |
1922695 | COc1ccc(CC(C)N(C)Cc2ccncc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][Branch1][C][C][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc6cc1.c17ccncc1.C6C4C.N45C.CO3.C57 |
1922696 | Cc1cnc(C2CCCN(Cc3ccncc3)C2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][S][Ring2][Ring1][C] | C16CCCN4C1.Cc1cnc6s1.c15ccncc1.C45 |
1922697 | COC(=O)c1ccc(C(=O)OCc2ncc(C)o2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.c18ncc(C)o1.C36=O.C47=O.CO3.O45.C58 |
1922698 | CCn1ccc(=O)nc1SCc1nnc(-c2ccc(C#N)cc2)o1 | [C][C][N][C][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][Ring1][=N] | n14ccc(=O)nc16.c17ccc(C#N)cc1.c15nnc7o1.CC4.S36.C35 |
1922699 | O=C(NCc1cscn1)c1cccn1-c1ccc2c(c1)OCCO2 | [O][=C][Branch1][#Branch2][N][C][C][=C][S][C][=N][Ring1][Branch1][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c17ccc2c(c1)OCCO2.c15cccn17.c16cscn1.O=C35.N34.C46 |
1922700 | O=C(Nc1ncnc2ccsc12)C1CC1c1ccco1 | [O][=C][Branch1][#C][N][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1] | c14ncnc2ccsc12.c16ccco1.C15CC16.O=C35.N34 |
1922701 | Cc1cc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)ncn1 | [C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=N][C][=N][Ring2][Ring1][=Branch2] | c16cnc2c(cnn27)c1.Cc1cc5ncn1.c18ccccc1.C46=O.N45.C78 |
1922702 | CC(=O)N1CCCN(C(=O)C2CCCOC2)c2ccccc21 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | N13CCCN4c2ccccc21.C15CCCOC1.CC3=O.C45=O |
1922703 | O=C(CCn1ccnc1)NC1(c2cccc(C(F)(F)F)c2)CCC1 | [O][=C][Branch1][#Branch2][C][C][N][C][=C][N][=C][Ring1][Branch1][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][Ring1][=C] | c17cccc6c1.O=C3CC5.n15ccnc1.C147CCC1.C6(F)(F)F.N34 |
1922704 | CN(C)C(=O)c1cccn1-c1ccc2c(c1)OCCO2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14cccn15.CN3C.C34=O |
1922705 | Cc1ccc(-c2ocnc2C(=O)NC(C)CCC2CCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c17ocnc15.C4(C)CC6.C16CCCO1.C35=O.N34 |
1922706 | CN(Cc1cccnc1)C(=O)CNC(=O)c1cc2cccc(F)c2o1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][#Branch2] | c17cc2cccc(F)c2o1.c18cccnc1.C3(=O)C6.CN35.C47=O.C58.N46 |
1922707 | Cc1cccc(C)c1NCC(=O)NCC(=O)N(C)Cc1cccnc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1cccc(C)c17.c18cccnc1.C4C2=O.C5C3=O.N36C.N47.N25.C68 |
1922708 | CN(Cc1cccnc1)C(=O)CNC(=O)c1cc(C(C)(C)C)on1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][N][=Ring1][=Branch2] | c18cccnc1.c16cc7on1.C2(=O)C5.C7(C)(C)C.CN24.C36=O.C48.N35 |
1922709 | O=C(NC1CCCOC1)c1ccc(OCc2ccccn2)cc1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc5cc1.C16CCCOC1.c18ccccn1.O=C37.N36.O45.C48 |
1922710 | CC(C#N)CNC(=O)c1cccn1-c1ccc2c(c1)OCCO2 | [C][C][Branch1][Ring1][C][#N][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15cccn16.CC(C#N)C4.C35=O.N34 |
1922711 | CNC(=O)c1cccc(C(=O)N2CCCC2c2ccc(F)c(F)c2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c17ccc(F)c(F)c1.c15cccc6c1.N14CCCC17.C35=O.C46=O.CN3 |
1922712 | CCC(CC)C(C(=O)N(C)C1CCN(C)C1=O)N1CCOCC1 | [C][C][C][Branch1][Ring1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][N][C][C][O][C][C][Ring1][=Branch1] | CCC(CC)C3C2=O.C14CCN(C)C1=O.N13CCOCC1.N24C |
1922715 | O=C(Cc1cn2ccsc2n1)N1CCC1c1ccc(Cl)cc1 | [O][=C][Branch1][=C][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][N][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cn2ccsc2n1.c15ccc(Cl)cc1.N13CCC15.O=C3C4 |
1922717 | CC(c1cccc(F)c1)N1CCC(N(C)Cc2noc(C3CC3)n2)C1 | [C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Ring1][S] | c18cccc(F)c1.N14CCC6C1.c17noc9n1.CC48.N56C.C19CC1.C57 |
1922719 | CCc1n[nH]c(C2CN(CC(=O)N(C)c3nccs3)CCO2)n1 | [C][C][C][=N][NH1][C][Branch2][Ring1][O][C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][C][O][Ring1][S][=N][Ring2][Ring1][Branch1] | C18CN5CCO1.c17n[nH]c8n1.c16nccs1.C5C4=O.N46C.CC7 |
1922720 | O=C1CN(C(=O)c2ccccn2)c2ccncc2N1 | [O][=C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | O=C1CN3c2ccncc2N1.c14ccccn1.C34=O |
1922721 | Cc1nc(C)c(CN2CCCC(c3cc(C(N)=O)[nH]n3)C2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=Ring1][Branch2][C][Ring1][=C][S][Ring2][Ring1][Branch1] | Cc1nc(C)c6s1.N14CCCC7C1.c17cc5[nH]n1.C5(N)=O.C46 |
1922722 | Cc1ncc(CN2CCCC(c3cc(C(N)=O)[nH]n3)C2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=Ring1][Branch2][C][Ring1][=C][S][Ring2][Ring1][Ring2] | N14CCCC7C1.Cc1ncc6s1.c17cc5[nH]n1.C5(N)=O.C46 |
1922723 | Cc1cc(=O)c(C(=O)N2CCn3cccc3C2c2ccccc2)c[nH]1 | [C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][Ring2][Ring1][Branch2] | N14CCn2cccc2C1c1ccccc1.Cc1cc(=O)c5c[nH]1.C45=O |
1922724 | CC1(CO)CCCC1Nc1cc(C(N)=O)c2ccccc2n1 | [C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N] | c13cc5c2ccccc2n1.CC16CCCC14.C5(N)=O.C6O.N34 |
1922725 | COc1cc(CNc2nc(C)ns2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=N][C][N][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc8cc4c15.c17nc(C)ns1.CO3.C68.N67.O4C.O5C |
1922726 | Cc1noc(-c2cccnc2N2CCCN(c3ncccn3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Branch2] | N14CCCN5CC1.c16cccnc14.Cc1noc6n1.c15ncccn1 |
1922727 | O=C1CCCN1c1ccc(NCc2nccn2CC(F)(F)F)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][C] | c17ccc4cc1.O=C1CCCN17.c16nccn15.C5C(F)(F)F.N34.C36 |
1922728 | O=c1[nH]c2ccccc2c(=O)n1Cc1nnnn1C1CC1 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1] | O=c1[nH]c2ccccc2c(=O)n13.c14nnnn15.C15CC1.C34 |
1922729 | Cc1cccc(C2CCCN2S(=O)(=O)C2CCOCC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] | S3(=O)(=O)C1CCOCC1.Cc1cccc4c1C.C14CCCN13 |
1922730 | CC(CNS(=O)(=O)C1CCOCC1)Cc1cccs1 | [C][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)C1CCOCC1.CC(C2)C4.c14cccs1.N23 |
1922732 | CCOCCCn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C | [C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][C][N][=C][Ring1][O][N][Ring1][#C][C] | n15c(=O)c2c6cc(C)nc2n1C.C4CC5.C6(F)(F)F.CC3.O34 |
1922733 | COCCCCCn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C | [C][O][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][C][N][=C][Ring1][O][N][Ring1][#C][C] | n14c(=O)c2c5cc(C)nc2n1C.C3CCCC4.C5(F)(F)F.CO3 |
1922735 | CCOc1ccccc1-c1noc(Cn2cccn2)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=N][Ring1][O] | c14ccccc17.c17noc6n1.n15cccn1.CC3.O34.C56 |
1922736 | O=c1c2ncccc2cnn1Cc1nnc(-c2cccc(F)c2)o1 | [O][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][#Branch2][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][N] | O=c1c2ncccc2cnn13.c15cccc(F)c1.c14nnc5o1.C34 |
1922737 | NS(=O)(=O)Cc1ccc(CNc2ccc3ccc(F)cc3n2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc2ccc(F)cc2n1.c16ccc7cc1.NS(=O)(=O)C6.C47.N45 |
1922738 | Cn1ccnc(Sc2ccc(C(F)(F)F)cn2)c1=O | [C][N][C][=C][N][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][Ring1][P][=O] | Cn1ccnc4c1=O.c15ccc3cn1.C3(F)(F)F.S45 |
1922739 | Cc1nsc(NCc2ccc(S(=O)(=O)N(C)C)s2)n1 | [C][C][=N][S][C][Branch2][Ring1][Branch2][N][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O][=N][Ring2][Ring1][C] | c16ccc(S4(=O)=O)s1.Cc1nsc5n1.N4(C)C.N35.C36 |
1922740 | Cn1ccnc(Sc2ncc(-c3ccc(Cl)cc3)o2)c1=O | [C][N][C][=C][N][=C][Branch2][Ring1][=Branch1][S][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][C][Ring2][Ring1][Ring1][=O] | Cn1ccnc4c1=O.c16ccc(Cl)cc1.c15ncc6o1.S45 |
1922741 | CN(Cc1ccncc1)c1ccc(S(N)(=O)=O)c2cccnc12 | [C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][N][=C][Ring1][=C][Ring1][=Branch1] | c14ccc(S(N)(=O)=O)c2cccnc12.c15ccncc1.CN34.C35 |
1922742 | Cc1nsc(NCc2cccc(S(=O)(=O)NC(C)C)c2)n1 | [C][C][=N][S][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c17cccc(S5(=O)=O)c1.Cc1nsc6n1.C4(C)C.N36.C37.N45 |
1922743 | CNC(=O)c1cccc(NCc2cn(-c3ccc(F)cc3)nc2C)n1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=N][Ring2][Ring1][Branch1] | c17cccc6n1.c18cn9nc1C.c19ccc(F)cc1.C47=O.CN4.N56.C58 |
1922745 | CNC(=O)COc1ccc(CNc2nc(C)ns2)cc1 | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=N][C][N][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][C][=C][Ring1][=C] | c15ccc8cc1.c17nc(C)ns1.C3(=O)C4.CN3.O45.C68.N67 |
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