ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
18587 | CC(=O)Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc(Cl)cc1.c14ccc6cc1.CC3=O.O34.N56 |
18588 | CC(C)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.CC(C)C3=O.C47=O.N35.N46 |
18589 | CC(C)C(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.CC(C)C3=O.c17ccco1.C47=O.N35.N46 |
18590 | CCCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.CCCC3=O.c17ccco1.C47=O.N35.N46 |
18591 | CCCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 | [C][C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.CCCC3=O.C47=O.N35.N46 |
18592 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][S] | S6(=O)(=O)c1cccc8c1.c17cccc(C)c1.N456.C38=O.CC4.C5C.N37 |
18595 | CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][Ring2] | c17ccc8cc1Cl.c16ccc9cc1.CC3=O.C49=O.C5(C)=O.N36.N47.N58 |
18596 | CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C | [C][C][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C] | CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C |
18597 | CC(=O)NC(NC(C)=O)C(C)(C)Cc1ccccc1 | [C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C45C(C)(C)C6.c16ccccc1.CC2=O.C3(C)=O.N24.N35 |
18598 | Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch1] | Cc1cc4no1.c15ccccc1.c16ccccc1.C3(=O)C56.N34 |
18599 | COc1cc2nc(-c3ccc(NC(C)=O)cc3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2nc8oc(=O)c2cc16.c18ccc7cc1.C4(C)=O.CO5.N47.O6C |
18600 | CCOc1ccccc1NC(=O)c1cccc(F)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccccc15.c16cccc(F)c1.C26=O.CC3.O34.N25 |
18601 | CC(=O)Oc1ccc2nc(Cc3ccccc3)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2nc6oc(=O)c2c1.c17ccccc1.CC4=O.O45.C67 |
18602 | CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][S] | c15cccc7c1.c16ccc(O)cc1.CC(C)(C)C3=O.C47=O.N35.N46 |
18605 | COC(=O)c1cc(NC(=O)C(C)(C)C)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P] | c16cc5cc7c1.C4(=O)C(C)(C)C.C26=O.C37=O.CO2.N45.O3C |
18606 | Cc1cc(=O)[nH]c2sc(C(=O)c3ccc(F)cc3)c(N)c12 | [C][C][=C][C][=Branch1][C][=O][NH1][C][S][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][N][C][Ring2][Ring1][Ring2][=Ring1][#C] | Cc1cc(=O)[nH]c2sc4c(N)c12.c15ccc(F)cc1.C45=O |
18607 | COc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17c(C)nc2ccccn12.c15ccc6cc1.C47=O.CO5.N46 |
18608 | Cc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C] | c16c(C)nc2ccccn12.Cc1ccc5cc1C.C46=O.N45 |
18609 | COc1ccc(CCNC(=O)c2c(C)nc3ccccn23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c18c(C)nc2ccccn12.c15ccc9cc16.C9C7.C48=O.CO5.N47.O6C |
18611 | Cc1ccccc1CNC(=O)CN(c1ccccc1C)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc17.c16ccccc1C.C2(=O)C4.S5(C)(=O)=O.N456.C37.N23 |
18612 | Cc1ccc(N(CC(=O)NCc2ccccc2C)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c18ccccc1C.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
18613 | Cc1ccccc1CNS(=O)(=O)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cc1ccccc14.C24.N23 |
18615 | COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1C.CO3.N56.C57.O4C |
18616 | CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.c15ccccc1C.CS6.N34.C35 |
18617 | CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc(S5(=O)=O)cc1.c17ccccc1C.CC3=O.N36.N45.C47 |
18618 | COc1ccc(C(=O)NCc2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][O][C] | c14ccc7cc15.c18ccccc1C.C37=O.CO4.N36.C68.O5C |
18619 | Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc16.c17ccncc1.C3C2=O.S5(C)(=O)=O.N356.N24.C47 |
18620 | Cc1ccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c18ccncc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
18621 | O=C(CSc1ccc(Cl)cc1)NCc1ccncc1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16ccc(Cl)cc1.c15ccncc1.O=C2C4.S46.N23.C35 |
18623 | CCOC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c16nnc2c(n1)[nH]c1ccccc12.C3(=O)C5.CC4.O34.S56 |
18624 | CCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc8cc1.N18CC6CC1=O.c15nccs1.C46=O.CC7.N45 |
18625 | COc1cccc(-c2nc(-c3cccnc3)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P] | c14cccc5c1.c15nc6no1.c16cccnc1.CO4 |
18626 | COc1cccc(-c2nc(-c3ccncc3)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P] | c14cccc5c1.c15nc6no1.c16ccncc1.CO4 |
18627 | COc1cccc(-c2nc(-c3ccccn3)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P] | c14cccc6c1.c16nc5no1.c15ccccn1.CO4 |
18628 | COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.c15ccc7cc1.C47=O.CO5.N46 |
18630 | COc1ccc(-c2nc(-c3ccncc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nc6no1.c16ccncc1.CO4 |
18631 | COc1ccc(-c2nc(-c3ccccn3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P] | c14ccc6cc1.c16nc5no1.c15ccccn1.CO4 |
18635 | CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1 | [C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Br)cc1.C35=O.CC4.N34 |
18636 | O=C(NCc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] | c16ccc(Cl)cc1.C15CC(=O)N7C1.c17ccc(F)cc1.O=C35.N34.C46 |
18639 | Clc1ccccc1-c1nnc(SCCC2OCCCO2)o1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][N][S][C][C][C][O][C][C][C][O][Ring1][=Branch1][O][Ring1][=C] | Clc1ccccc16.c16nnc5o1.C14OCCCO1.C3C4.S35 |
18641 | COC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][P] | c14cc6n5n1.c16ccccc1.c15ccccc1.C34=O.CO3 |
18643 | COc1ccccc1-c1nc(-c2ccncc2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c13ccccc14.c14nc5no1.c15ccncc1.CO3 |
18644 | COc1ccc(Cc2noc(-c3ccccc3OC)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=N][O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc8cc16.c19ccccc15.c17noc9n1.CO4.C78.O5C.O6C |
18649 | COc1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1] | C5(C(F)(F)F)C(F)(F)F.c14ccc6cc1.C23=O.CO4.N26.N35 |
18650 | O=C(NC1CCCCC1)NC(C(F)(F)F)C(F)(F)F | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C4(C(F)(F)F)C(F)(F)F.C15CCCCC1.O=C23.N25.N34 |
18651 | CCOC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][=C][C] | c18c6sc(C)c1C.c17ccco1.C38=O.C47=O.CC5.O35.N46 |
18652 | Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)c3)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][S][=C][Ring2][Ring1][=Branch2] | Cc1cccc6c1.c18cccc9n1.c17cccc(C)c1.C48=O.C59=O.N46.N57 |
18653 | CCN(CC)C(=O)c1cc2cc(Br)ccc2oc1=O | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] | c16cc2cc(Br)ccc2oc1=O.N345.C36=O.CC4.C5C |
18654 | O=C(NCc1cccnc1)c1sc2cc(F)ccc2c1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][S][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][Cl] | c15sc2cc(F)ccc2c1Cl.c16cccnc1.O=C35.N34.C46 |
18657 | O=C(Nc1cccc2cccnc12)c1ccc(F)cc1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cccc2cccnc12.c15ccc(F)cc1.O=C35.N34 |
18659 | O=C(Nc1ccc2c(c1)OCO2)C(O)(c1ccccc1)c1ccccc1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)OCO2.O=C3C56O.c15ccccc1.c16ccccc1.N34 |
18660 | CC(C)(C)NC(=O)c1ccccc1C(=O)NC(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | c16ccccc17.CC4(C)C.C5(C)(C)C.C26=O.C37=O.N24.N35 |
18661 | Cc1cnc(NC(=O)c2ccc(Cl)cc2Cl)s1 | [C][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][Ring1][S] | c15ccc(Cl)cc1Cl.Cc1cnc4s1.C35=O.N34 |
18663 | CC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc4cc1.c16ccccc1.C3(=O)C6.CC5=O.N34 |
18664 | O=C(Nc1ccc(Cl)cn1)c1cccc(F)c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ccc(Cl)cn1.c14cccc(F)c1.O=C24.N23 |
18665 | O=C(Nc1ccc(Br)cn1)c1ccccc1F | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccc(Br)cn1.c14ccccc1F.O=C24.N23 |
18666 | O=C(Nc1ccc(Cl)cn1)c1ccccc1F | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccc(Cl)cn1.c14ccccc1F.O=C24.N23 |
18667 | O=C(Cc1ccccc1)Nc1cccc2cccnc12 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2cccnc12.c15ccccc1.O=C3C5.N34 |
18671 | COc1ccc(CCNC(=O)c2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16cccnc1.C7C5.C36=O.CO4.N35 |
18672 | O=C(Nc1ccc(Br)cn1)c1ccncc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13ccc(Br)cn1.c14ccncc1.O=C24.N23 |
18673 | COc1cc(C(=O)Nc2ncccc2C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc8cc5c16.c17ncccc1C.C38=O.CO4.N37.O5C.O6C |
18674 | CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1Cl.CN3C.C45 |
18675 | COc1cc(C(=O)Oc2cccc3cccnc23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c16cccc2cccnc12.c15cc9cc7c18.C49=O.CO5.O46.O7C.O8C |
18677 | CCC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N] | c14ccc2[nH]c5nc2c1.CCC3=O.C5(F)(F)F.N34 |
18678 | O=C1NC(c2ccc3c(c2)OCO3)Nc2ccccc21 | [O][=C][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=C1NC4Nc2ccccc21.c14ccc2c(c1)OCO2 |
18679 | CC1(C)CC(=O)c2cnc(NC(=O)C3CC3(C)C3CC3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][Ring1][N][=C][Ring1][S][C][Ring2][Ring1][=Branch1] | CC1(C)CC(=O)c2cnc5nc2C1.C16CC1(C)C1CC1.C46=O.N45 |
18680 | Cn1ncc(Br)c1C(=O)Nc1cccc(C(F)(F)F)c1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cn1ncc(Br)c14.c13cccc5c1.C5(F)(F)F.C24=O.N23 |
18681 | CC(C)NC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Br)cc1.CC4C.C35=O.N34 |
18684 | CC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccccc1.CC3=O.C47=O.C5C8.N36.N45 |
18685 | COc1ccc(NC(=O)Nc2ncccc2C)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | c15ccc7cc1.c16ncccc1C.C34=O.CO5.N37.N46 |
18686 | COc1ccc(NC(=O)Nc2cccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc7cc1.c16cccc(C)n1.C34=O.CO5.N37.N46 |
18688 | COc1ccc(NC(=O)Nc2cc(C)ccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc7cc1.c16cc(C)ccn1.C34=O.CO5.N37.N46 |
18690 | CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 | [C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2c(c(=O)[nH]c(=O)n2C)n14.c15ccccc1.CC3C.C4C5.S36 |
18691 | COc1cccc(N2CC(O)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][C][Branch1][C][O][C][N][C][Ring1][#Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1] | N15CC(O)Cn2c1nc1c2c(=O)[nH]c(=O)n1C.c14cccc5c1.CO4 |
18692 | O=C(Cc1ccccc1)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15ccccc1.c13nnc4s1.O=C2C5.C4(F)(F)F.N23 |
18693 | CC(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)c(C)o1 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][Ring1] | c15ccc2ccccc2c1.c16cc7c(C)o1.CC6=O.C47=O.N45 |
18694 | Cc1ccc(Cl)cc1NC(=O)CSc1nncn1C | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C] | Cc1ccc(Cl)cc14.c15nncn1C.C2(=O)C3.N24.S35 |
18695 | CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c17ccc6cc1.C4(=O)C5.CC7=O.N46.S58 |
18696 | Cn1cnnc1SCC(=O)c1ccc(Br)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cn1cnnc14.C2C3=O.S24 |
18697 | CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1.c15cccs1.N34 |
18698 | Cn1cnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c14ccc6cc1.Cn1cnnc15.c16ccccc1.C3C4=O.S35 |
18699 | COC(=O)c1ccc(C(=O)OC)c(NC(C)=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][=C] | c16ccc7c5c1.C26=O.C37=O.C4(C)=O.CO2.O3C.N45 |
18700 | CSc1nnc(-c2ccco2)n1-c1ccccc1 | [C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nnc5n13.c13ccccc1.c15ccco1.CS4 |
18701 | CSc1ccc(Cl)c(C(=O)NCc2ccco2)c1 | [C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S] | c17ccc(Cl)c5c1.c16ccco1.C35=O.CS7.N34.C46 |
18702 | COc1ccc(CSc2nnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch1][=N][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][=C] | c13ccc5cc1.c16nnc(C)s1.CO3.C45.S46 |
18704 | Cc1ccccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring1][=C] | c15nc(N)nc(N)n1.Cc1ccccc13.c14ccc5cc1.O34 |
18705 | Cn1cnnc1SCC(=O)Nc1ccccc1-c1ccccc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.Cn1cnnc15.c16ccccc1.C3C2=O.S35.N24 |
18706 | O=C(CSc1nnnn1-c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.N12CCOCC1.O=C2C3.S35 |
18708 | CS(=O)(=O)Nc1ccc(Br)cn1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c13ccc(Br)cn1.CS2(=O)=O.N23 |
18709 | CCOC(=O)c1c(C)oc2ccc(OC(C)=O)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][=C][Ring1][#Branch2] | c17c(C)oc2ccc6cc12.C37=O.C4(C)=O.CC5.O35.O46 |
18710 | CCOC(=O)c1oc2cccc(OC(C)=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=Ring1][=N][C] | c17oc2cccc6c2c1C.C37=O.C4(C)=O.CC5.O35.O46 |
18711 | COc1cc(-c2nnc(-c3cccs3)o2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C] | c14cc8cc5c16.c18nnc7o1.c17cccs1.CO4.O5C.O6C |
18712 | Cc1nc(NC(=O)c2cccc(Br)c2)sc1C | [C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][C][=Ring1][#C][C] | Cc1nc4sc1C.c15cccc(Br)c1.C35=O.N34 |
18713 | CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | C3(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccccc1Cl.CC4.O34 |
18714 | Cc1nnc(NC(=O)C(Sc2ccccc2)c2ccccc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | Cc1nnc5s1.c17ccccc1.c16ccccc1.C3(=O)C46.N35.S47 |
18715 | Cc1ccc2c(Cl)c(C(=O)Nc3nnc(C)s3)sc2c1 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2c(Cl)c6sc2c1.c15nnc(C)s1.C46=O.N45 |
18716 | NC(=O)CSc1nc2ccccc2n1CCOc1ccccc1F | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17nc2ccccc2n16.c14ccccc1F.NC(=O)C5.C6C3.S57.O34 |
18717 | CC1Cn2c(nc3sc4c(c3c2=O)CC(C)(C)OC4)N1CCO | [C][C][C][N][C][=Branch2][Ring1][O][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O][N][Ring2][Ring1][Ring1][C][C][O] | CC1Cn2c(nc3sc4c(c3c2=O)CC(C)(C)OC4)N15.C5CO |
18718 | COc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c15cc7ncn1.n17nc(C)cc1C.CO4.N56 |
18719 | O=C(NCc1ccccc1F)c1ccccc1Br | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1F.c14ccccc1Br.O=C24.N23.C35 |
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