ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
41587 | Cc1ccc(C(=O)NC2CCCc3ccccc32)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][Ring2][Ring1][C] | N4C1CCCc2ccccc21.Cc1ccc5o1.C45=O |
41588 | CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][=N][C][=Ring1][#C][C] | c17sc6nc1C.c18ccc9s1.C37=O.C48=O.CC5.O35.N46.C9C |
41589 | CC1CN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | c15cc2cc(Cl)ccc2oc1=O.CC1CN4CC(C)O1.C45=O |
41590 | O=C(Nc1ccc(C(F)(F)F)cc1)c1cnccn1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc5cc1.c14cnccn1.C5(F)(F)F.O=C24.N23 |
41591 | O=C(Nc1cnccn1)c1sc2ccccc2c1Cl | [O][=C][Branch1][#Branch2][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.c14cnccn1.O=C35.N34 |
41593 | O=C(c1ccncc1)N(Cc1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccncc1.c16ccccc1.c14ccccc1.O=C25.N234.C36 |
41594 | CC(NC(=O)Cc1c(F)cccc1Cl)C1CCCO1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][C][C][O][Ring1][Branch1] | c15c(F)cccc1Cl.C14CCCO1.C2(=O)C5.CC34.N23 |
41596 | CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.CC3=O |
41597 | O=C(Nc1ccc2c(c1)OCCO2)c1csc2c1CCCC2 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c15csc2c1CCCC2.O=C35.N34 |
41598 | COc1ccc(CCC(=O)NCc2cnn(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17cnn(C)c1.C6CC3=O.CO4.N35.C57 |
41599 | CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][P][C] | c19sc7c%10c1C.C18CCCO1.C39=O.C58=O.C4%10=O.CC6.O36.N57.O4C |
41600 | Cc1occc1C(=O)NCc1ccccc1Br | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.Cc1occc14.C24=O.N23.C35 |
41601 | O=C(Nc1c(F)cc(F)cc1Br)c1ccco1 | [O][=C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][C][=C][C][=C][O][Ring1][Branch1] | c13c(F)cc(F)cc1Br.c14ccco1.O=C24.N23 |
41602 | Cc1cc(C(=O)NCCc2ccc(Cl)cc2)cs1 | [C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][P] | c16ccc(Cl)cc1.Cc1cc5cs1.C35=O.C4C6.N34 |
41603 | CCn1cc(C(C)NC(=O)COc2ccc(Cl)cc2C)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | c15ccc(Cl)cc1C.n17cc8c(C)n1.C3(=O)C4.C68C.CC7.N36.O45 |
41604 | O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCC1 | [O][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][C][C][C][Ring1][Ring2] | c16ccc(S4(=O)=O)cc1.c15ncccn1.C17CCC1.O=C37.N36.N45 |
41605 | Cc1sc(NC(=O)c2cnccn2)nc1-c1ccc(F)cc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(F)cc1.c15cnccn1.C35=O.N34 |
41608 | Cc1cc(C(=O)NC2CCCc3ccccc32)cs1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][S][Ring2][Ring1][C] | N4C1CCCc2ccccc21.Cc1cc5cs1.C45=O |
41609 | CCSc1nnc(NC(=O)CC(C)(C)C)s1 | [C][C][S][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=N] | C2(=O)CC(C)(C)C.c15nnc4s1.CC3.S35.N24 |
41610 | Cc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)cs1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N][=C][S][Ring2][Ring1][Ring2] | c15cccc8c1.Cc1cc6cs1.n17cccn1.C46=O.N45.C78 |
41611 | O=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc6c1.c15cccnc1.C6(F)(F)F.O=C24.N23.C35 |
41612 | CC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(N)=O | [C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][=N][C][Branch1][C][N][=O] | c16ccc(C)c(C)c1.c14scc6c15.CC3=O.C5(N)=O.N34 |
41613 | O=C(Nc1ccc(Br)cn1)c1ccccc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccc(Br)cn1.c14ccccc1.O=C24.N23 |
41614 | CS(=O)(=O)N1CCN(C(=O)c2ccccc2Br)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C] | N14CCN3CC1.c15ccccc1Br.CS4(=O)=O.C35=O |
41616 | O=C(COc1ccccc1Br)NCc1cccnc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc1Br.c16cccnc1.O=C2C3.O34.N25.C56 |
41617 | COc1cc(OC)c(NC(=O)c2cc(C)on2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P][Cl] | c14cc5c6cc1Cl.c17cc(C)on1.C37=O.CO4.O5C.N36 |
41618 | Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][Ring2] | c16ccc(S(N)(=O)=O)cc1.Cc1ccc5o1.C35=O.C4C6.N34 |
41619 | O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.C15CCCO1.O=C35 |
41620 | CCc1sc(C(=O)NCc2ccccn2)cc1Br | [C][C][C][S][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=Ring1][#C][Br] | c16sc5cc1Br.c17ccccn1.C35=O.CC6.N34.C47 |
41622 | COc1ccccc1CNC(=O)c1oc2ccccc2c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C] | c16oc2ccccc2c1C.c14ccccc17.C36=O.CO4.C57.N35 |
41623 | Cc1occc1C(=O)Nc1nnc(C(F)(F)F)s1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | Cc1occc14.c13nnc5s1.C5(F)(F)F.C24=O.N23 |
41624 | O=C(NCc1ccccc1Br)c1cccnc1 | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccccc1Br.c14cccnc1.O=C24.N23.C35 |
41625 | COc1ccc(-c2nnc(NC(=O)c3ccoc3C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c18nnc6s1.c17ccoc1C.C47=O.CO5.N46 |
41627 | COc1ccc(C(C)(C)C)cc1NC(=O)c1cnccn1 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccc6cc14.c15cnccn1.C6(C)(C)C.C25=O.CO3.N24 |
41628 | CC(NC(=O)c1ccco1)c1ccc2c(c1)OCO2 | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccco1.CC46.C35=O.N34 |
41629 | CCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C] | c14cc(Cl)ccc1C.N13CCN4CC1.CCC3=O |
41630 | CCn1cc(C(C)NC(=O)c2ccc(Cl)cc2Cl)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=N][Ring2][Ring1][Ring1] | c15ccc(Cl)cc1Cl.n16cc7c(C)n1.C47C.C35=O.CC6.N34 |
41631 | COc1ccc(C(C)(C)C)cc1NC(=O)C1CCCO1 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c13ccc6cc14.C15CCCO1.C6(C)(C)C.C25=O.CO3.N24 |
41632 | O=C(Nc1ccon1)C(Sc1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.O=C2C35.c14ccon1.N24.S36 |
41633 | Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1c5oc2ccccc12.N14CCC2(CC1)OCCO2.C45=O |
41635 | COc1cc(OC)c(NC(=O)c2ccoc2C)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring1][P][Cl] | c14cc5c6cc1Cl.c17ccoc1C.C37=O.CO4.O5C.N36 |
41637 | O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCCO1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][O][Ring1][Branch1] | c13ccc(Cl)cc15.C14CCCO1.C5(F)(F)F.O=C24.N23 |
41639 | O=C(Cc1ccccc1Cl)NCc1ccccn1 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccccc1Cl.c14ccccn1.O=C2C5.N23.C34 |
41640 | O=C(Nc1c(F)cc(F)cc1Br)c1cccnc1 | [O][=C][Branch1][P][N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Br][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13c(F)cc(F)cc1Br.c14cccnc1.O=C24.N23 |
41641 | Cc1cc(C(=O)NCc2ccccc2Br)no1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][O][Ring1][S] | c16ccccc1Br.Cc1cc5no1.C35=O.N34.C46 |
41642 | CCc1cccc(CC)c1NC(=O)c1cc(C)on1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c15cccc6c13.c14cc(C)on1.C24=O.CC5.C6C.N23 |
41644 | CCCc1cc(C(N)=O)c(NC(=O)c2cc(C)on2)s1 | [C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][Ring1][P] | c17cc6c4s1.c15cc(C)on1.CCC7.C6(N)=O.C35=O.N34 |
41645 | CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17ccc5cc1.N15CCN4CC1.c16cc(C)on1.CC7=O.C46=O |
41649 | CCOc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.c18ccc9cc1.n19nc(C)cc1C.C48=O.CC5.O56.N47 |
41650 | O=C(NC1CCCC1)c1cc2cc(Cl)ccc2oc1=O | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Cl)ccc2oc1=O.C14CCCC1.O=C35.N34 |
41651 | COc1ccc2oc(=O)c(C(=O)NC3CCCCC3C)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2oc(=O)c7cc2c1.C16CCCCC1C.C47=O.CO5.N46 |
41652 | COc1ccc(CNC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | c17cc2cc(Cl)ccc2oc1=O.c15ccc8cc1.C47=O.CO5.C68.N46 |
41653 | COc1ccc2oc(=O)c(C(=O)NCc3ccc(C)cc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccc(C)cc1.C47=O.CO5.N46.C68 |
41655 | COc1ccc2oc(=O)c(C(=O)NCc3ccccc3Cl)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccccc1Cl.C47=O.CO5.N46.C68 |
41656 | O=C(NC1CCCC1)c1cc2cc(Br)ccc2oc1=O | [O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c15cc2cc(Br)ccc2oc1=O.C14CCCC1.O=C35.N34 |
41657 | O=c1[nH]c2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 | [O][=C][NH1][C][S][C][=C][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][Ring1][S] | O=c1[nH]c2sc3c(c2c(=O)n14)CCCC3.c15ccco1.C45 |
41658 | C=CCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3 | [C][=C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][S][C][=Ring1][Branch1][Ring1][P][C][C][C][C][Ring1][Branch2] | n14c(=O)n5c(=O)c2c3c(sc21)CCCC3.c16ccco1.C=CC4.C56 |
41659 | FC(F)(F)c1nc(-c2noc(C(F)(F)F)n2)no1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][=N][O][Ring1][=C] | c13nc5no1.c15noc4n1.FC3(F)F.C4(F)(F)F |
41660 | Cc1c(Br)c(C(F)(F)F)nn1CC(N)=O | [C][C][=C][Branch1][C][Br][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][Branch1][C][N][=O] | Cc1c(Br)c3nn12.C3(F)(F)F.C2C(N)=O |
41661 | CNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 | [C][N][C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13oc4nc1S(=O)(=O)c1ccccc1.c14cccs1.CN3 |
41662 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1] | Cc1onc6c15.c16ccccc1.c14ccon1.C35=O.N34 |
41663 | Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][O][Ring1][P] | Cc1ccc5o1.c14nnc6s1.C6(F)(F)F.C35=O.N34 |
41664 | CC(C)(C)c1ccccc1NC(=O)c1cccnc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15ccccc13.c14cccnc1.CC5(C)C.C24=O.N23 |
41665 | Cc1ccc(C(=O)Nc2ccc(Br)cn2)o1 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][O][Ring1][#C] | c14ccc(Br)cn1.Cc1ccc5o1.C35=O.N34 |
41666 | O=C(c1cccc(C(F)(F)F)c1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc4c1.N12CCOCC1.C4(F)(F)F.O=C23 |
41667 | Cc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][C] | Cc1ccc6cc1C.c15c(C)noc1C.C46C.C35=O.N34 |
41668 | CCc1c(C(=O)Nc2nnc(C3CC3)s2)csc1C | [C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][=C][S][C][=Ring1][S][C] | c17c6csc1C.c15nnc8s1.C46=O.C18CC1.CC7.N45 |
41669 | CCC(C(=O)Nc1nc(C)c(C(=O)OC)s1)c1ccccc1 | [C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc(C)c5s1.CCC6C3=O.c16ccccc1.C25=O.N34.O2C |
41670 | Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)nn1C | [C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][N][Ring2][Ring1][C][C] | c16ccc2c(c1)OCO2.Cc1cc7nn1C.C46=O.C57.N45 |
41671 | CCC(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 | [C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N13CCC2(CC1)OCCO2.CCC4C3=O.c14ccccc1 |
41672 | Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc(F)cc1 | [C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1sc4nc16.c16ccc(F)cc1.c15ccncc1.C35=O.N34 |
41673 | COc1ccccc1CCNC(=O)c1csc(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1] | c13ccccc16.c15csc(C)c1.C6C4.C25=O.CO3.N24 |
41674 | CCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1 | [C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][Ring1][P] | c17cc5c4s1.c16ccoc1C.CCC7.C5(N)=O.C36=O.N34 |
41675 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N] | c15ccccc17.c16ccc8cc1.N14CCCC1.C37=O.C48=O.CO5.N36 |
41676 | CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1 | [C][C][C][=C][Branch1][C][C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c17c(C)sc5c16.N14CCCCC1.C23=O.C46=O.CC7.N35.O2C |
41677 | CC(C)(C)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c16ccc5cc1.N13CCN4CC1.CC6(C)C.S4(C)(=O)=O.C35=O |
41678 | CCc1c(C(=O)Nc2nccs2)csc1C | [C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][S][C][=Ring1][=N][C] | c16c5csc1C.c14nccs1.C35=O.CC6.N34 |
41680 | COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][Ring1][S] | c17sc2c(c18)CCCC2.c19ccco1.C34=O.C58=O.CO3.N47.N56.C69 |
41681 | O=C(Nc1sccc1C(=O)NCc1ccco1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15sccc17.c16cccnc1.c18ccco1.O=C26.C37=O.N25.N34.C48 |
41682 | CC(C)c1cc(C(N)=O)c(NC(=O)C2CCC2)s1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][S][Ring1][#C] | c17cc6c4s1.C15CCC1.CC7C.C6(N)=O.C35=O.N34 |
41683 | CCC(C(=O)Nc1nnc(-c2ccncc2)s1)c1ccccc1 | [C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC5C3=O.c14nnc6s1.c16ccncc1.c15ccccc1.N34 |
41685 | COC(=O)c1cc(C)sc1NC(=O)c1cccnc1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cc(C)sc14.c16cccnc1.C25=O.C36=O.CO2.N34 |
41687 | COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][C][Branch1][C][C][=C][Ring1][P][C] | c16c5sc(C)c1C.c17c(F)cccc1F.C36=O.C47=O.CO3.N45 |
41688 | O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccccn1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc8cc1.c18ccccc1.c17ccccn1.O=C3C4.O45.N36.C67 |
41689 | CC(C)(C)CC(=O)N1CCN(c2ncccn2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | CC(C)(C)CC3=O.N13CCN4CC1.c14ncccn1 |
41690 | COC(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O | [C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Branch1][C][N][=O] | c15sc(C)c7c16.c17ccccc1.C34=O.C6(N)=O.CO3.N45 |
41692 | O=C(Nn1cnnc1)c1cc2c(s1)CCCCC2 | [O][=C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2] | c13cc2c(s1)CCCCC2.O=C3Nn1cnnc1 |
41693 | CCc1cc(Br)ccc1NC(=O)C1CCCO1 | [C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c15cc(Br)ccc13.C14CCCO1.C24=O.CC5.N23 |
41694 | CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1 | [C][C][C][=C][Branch1][C][C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c17c(C)sc5c16.N14CCOCC1.C23=O.C46=O.CC7.N35.O2C |
41695 | Cc1cc(C(=O)N2CCN(C(=O)C3CCCO3)CC2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][Ring2] | N14CCN5CC1.Cc1cc7no1.C16CCCO1.C47=O.C56=O |
41696 | O=C(c1sc2ccccc2c1Cl)N1CCC2(CC1)OCCO2 | [O][=C][Branch1][#C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14sc2ccccc2c1Cl.N13CCC2(CC1)OCCO2.O=C34 |
41697 | CCOC(=O)c1ccc(NC(=O)c2ccc(C)s2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][#C] | c18ccc6cc1.c17ccc(C)s1.C38=O.C47=O.CC5.O35.N46 |
41699 | CC1CCc2c(C(=O)Nc3ccccn3)csc2C1 | [C][C][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][C][=Ring1][=C][C][Ring2][Ring1][C] | CC1CCc2c6csc2C1.c15ccccn1.C46=O.N45 |
41700 | COC(=O)c1sccc1NC(=O)c1csc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c17csc2c1CCCC2.c16sccc15.C36=O.C47=O.CO3.N45 |
41701 | O=C(NC1CCCc2ccccc21)c1cc2ccccc2oc1=O | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | N3C1CCCc2ccccc21.c14cc2ccccc2oc1=O.O=C34 |
41702 | CCOc1ccccc1NC(=O)c1csc(C)c1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C] | c14ccccc15.c16csc(C)c1C.C26=O.CC3.O34.N25 |
41705 | CC(C)(C)C1CCC(C(=O)N2CCOCC2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C] | C15CCC4CC1.N13CCOCC1.CC5(C)C.C34=O |
41706 | CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16ccc5cc1.N15CCN4CC1.c17ccccc1.CC6=O.C47=O |
41708 | Cc1noc(C)c1C(=O)Nc1sc2c(c1C#N)CCC(C)C2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | c14sc2c(c1C#N)CCC(C)C2.Cc1noc(C)c15.C35=O.N34 |
41709 | O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccnc1.c16ccccc1.c14ccccc1.O=C25.N234.C36 |
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