ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
11553 | O=C(CSc1nc2ccccc2o1)NC1Cc2ccccc2C1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | c16nc2ccccc2o1.C15Cc2ccccc2C1.O=C3C4.S46.N35 |
11554 | O=c1c2ccccc2ncn1Cc1cccc(F)c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=c1c2ccccc2ncn13.c14cccc(F)c1.C34 |
11555 | O=C(Cn1cnc2ccccc2c1=O)c1ccc(Br)cc1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | n14cnc2ccccc2c1=O.c13ccc(Br)cc1.O=C3C4 |
11556 | O=C(CSc1ccc(F)cc1)NC1Cc2ccccc2C1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C15Cc2ccccc2C1.c16ccc(F)cc1.O=C3C4.S46.N35 |
11557 | CSc1nnc(CNC(=O)OC(C)(C)C)n1C | [C][S][C][=N][N][=C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C] | c17nnc6n1C.C4(C)(C)C.C23=O.CS7.C56.N35.O24 |
11558 | O=c1c2ccccc2ncn1Cc1cccc(Br)c1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | O=c1c2ccccc2ncn13.c14cccc(Br)c1.C34 |
11561 | O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | n14cnc2ccccc2c1=O.c13ccc(Cl)c(Cl)c1.O=C3C4 |
11564 | COc1ccc(CNC(=O)Nc2ccccc2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][Ring1] | c17ccccc1C#N.c15ccc8cc1.C34=O.CO5.C68.N36.N47 |
11566 | O=C(NCc1ccncc1)c1ccc2snnc2c1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c15ccc2snnc2c1.c16ccncc1.O=C35.N34.C46 |
11568 | Fc1ccc2nc(C(F)(F)F)cc(N3CCOCC3)c2c1 | [F][C][=C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Fc1ccc2nc5cc4c2c1.N14CCOCC1.C5(F)(F)F |
11569 | Cn1c(CNC(=O)c2cccs2)nnc1SCc1ccccc1 | [C][N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c7nnc19.c18ccccc1.c16cccs1.C36=O.C47.N34.S59.C58 |
11571 | CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCOCC3)ccc21 | [C][C][Branch1][C][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1] | n16c7nc2cc5ccc21.N14CCOCC1.C7(F)(F)F.CC6C.C45=O |
11572 | CC(C)n1c(C(F)(F)F)nc2cc(C(=O)N3CCCCC3)ccc21 | [C][C][Branch1][C][C][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Branch1] | n16c7nc2cc5ccc21.N14CCCCC1.C7(F)(F)F.CC6C.C45=O |
11573 | COc1ccc(-c2ccnc(SCC(=O)N3CCOCC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18ccnc7n1.N14CCOCC1.C6C4=O.CO5.S67 |
11574 | CC(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][C][C][Ring2][Ring1][Branch1] | N14CCC6CC1.c17ccc5cc1.c16nc7no1.C5(F)(F)F.CC4=O |
11575 | COC(=O)C=C(c1ccccc1)n1cnc2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C=4(c1ccccc1)n1cnc2ccccc21.C3(=O)C=4.CO3 |
11576 | Cc1cc(C)c2cc(C(=O)Nc3cccc(C)n3)[nH]c2c1 | [C][C][=C][C][Branch1][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c2cc6[nH]c2c1.c15cccc(C)n1.C46=O.N45 |
11577 | CCc1ccc2[nH]c(C(=O)NC(C)COC)cc2c1 | [C][C][C][=C][C][=C][NH1][C][Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][Ring1][=N][=C][Ring1][P] | c17ccc2[nH]c6cc2c1.C5(C)C4.C36=O.CC7.N35.O4C |
11578 | COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc8cc15.c17ccc(Cl)cc1.C8C6.C37=O.CO4.N36.O5C |
11580 | CCC1(C)CC(CC#N)(c2ccc(F)cc2)CCO1 | [C][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][C][#N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][Ring1][P] | C13(C)CC45CCO1.c15ccc(F)cc1.C4C#N.CC3 |
11581 | CCC1(C)CC(CC#N)(c2ccccc2OC)CCO1 | [C][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][C][#N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring2][Ring1][C] | C14(C)CC56CCO1.c16ccccc13.C5C#N.CC4.O3C |
11582 | COc1ccc(-c2csc(-c3ccncc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15csc6n1.c16ccncc1.CO4 |
11583 | Fc1ccc(-c2csc(-c3ccncc3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | Fc1ccc4cc1.c14csc5n1.c15ccncc1 |
11584 | Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2o1 | [C][C][=N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2ccc6cc2o1.c17ccccc1.C45=O.N46.N57 |
11585 | Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2o1 | [C][C][=N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2ccc5cc2o1.c16ccccc1Cl.C46=O.N45 |
11586 | Cc1nc2ccc(NC(=O)c3ccccc3C)cc2o1 | [C][C][=N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][Ring2][Ring1][Ring1] | Cc1nc2ccc5cc2o1.c16ccccc1C.C46=O.N45 |
11587 | Cc1nc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2o1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc(F)c(Cl)c1.Cc1nc2ccc5cc2o1.N45 |
11588 | Cc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2o1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc(F)cc1F.Cc1nc2ccc5cc2o1.N45 |
11589 | Cc1nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2o1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][O][Ring2][Ring1][Ring2] | Cc1nc2ccc5cc2o1.S4(=O)(=O)c1ccccc1Cl.N45 |
11590 | O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)S(=O)(=O)C=C2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Ring1][Branch2] | c16ccc2c(c1)S(=O)(=O)C=C2.c15ccc(Cl)cc1.O=C34.N35.N46 |
11592 | CNC(=O)Cc1sc2ccc(Cl)cc2c1C | [C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C] | c14sc2ccc(Cl)cc2c1C.C3(=O)C4.CN3 |
11593 | CNC(=O)n1nccc1-c1sc2ccccc2c1C | [C][N][C][=Branch1][C][=O][N][N][=C][C][=C][Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C] | c14sc2ccccc2c1C.C3(=O)n1nccc14.CN3 |
11594 | Cc1c(-c2ccnn2S(C)(=O)=O)sc2ccccc12 | [C][C][=C][Branch1][S][C][=C][C][=N][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][S][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | Cc1c3sc2ccccc12.c13ccnn1S(C)(=O)=O |
11596 | COc1ccc(OC(=O)Nc2csc(Cc3ccsc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][=C][S][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.c18csc9n1.c1%10ccsc1.C45=O.CO6.O47.N58.C9%10 |
11597 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1 | [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][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
11598 | Cc1ccc(NC(=O)CSc2nccn2C)cc1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | Cc1ccc5cc1.c16nccn1C.C3(=O)C4.N35.S46 |
11599 | Cc1ccc(NC(=O)c2csc(-c3cccnc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16csc7n1.c17cccnc1.C46=O.N45 |
11603 | O=C(CSc1nccc(-c2cccnc2)n1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nccc7n1.c17cccnc1.c15ccccc1.O=C3C4.S46.N35 |
11604 | COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C)C1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | c12ccc(Cl)cc1S3(=O)=O.N13CCCC(C)C1.CO2 |
11605 | CC(=O)Nc1cc(-c2sc3ccc(Cl)cc3c2C)n[nH]1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=N][NH1][Ring1][S] | c16sc2ccc(Cl)cc2c1C.c15cc6n[nH]1.CC4=O.N45 |
11606 | Cc1ccsc1C1CC(=O)Nc2ccccc2S1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | C13CC(=O)Nc2ccccc2S1.Cc1ccsc13 |
11607 | O=C1CC(c2ccccc2)Sc2ccccc2N1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P] | O=C1CC3Sc2ccccc2N1.c13ccccc1 |
11608 | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(C)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring1][P] | Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(C)c2)n1 |
11612 | CC1CN(C(=O)c2ccccc2F)CCN1C(=O)c1ccccc1F | [C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | CC1CN3CCN14.c15ccccc1F.c16ccccc1F.C35=O.C46=O |
11613 | Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)C(C)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] | N14CCN5C(C)C1.Cc1ccc6cc1.c17ccc(C)cc1.C46=O.C57=O |
11614 | Cc1cc(S(=O)(=O)N2CCCCC2)ccc1Br | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | Cc1cc(S3(=O)=O)ccc1Br.N13CCCCC1 |
11616 | Cc1ccc(OCC(=O)Nc2cccnc2)cc1C | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16cccnc1.C4C3=O.O45.N36 |
11617 | Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | Cc1ccccc18.c15ccc6cc1.c17ccco1.C38=O.C47=O.N35.N46 |
11618 | Cc1n[nH]c(C)c1Sc1nccc(-c2cccnc2)n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] | Cc1n[nH]c(C)c14.c13nccc5n1.c15cccnc1.S34 |
11620 | Cc1nn(C)c(C)c1Sc1nccc(-c2cccnc2)n1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N] | Cc1nn(C)c(C)c14.c13nccc5n1.c15cccnc1.S34 |
11622 | Cn1cnc(-c2ccccc2NC(=O)Nc2cccc(Cl)c2)n1 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | c17ccccc15.c16cccc(Cl)c1.Cn1cnc7n1.C34=O.N35.N46 |
11623 | N#Cc1c(N2CCOCC2)nsc1-c1ccccc1Cl | [N][#C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][S][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | N#Cc1c3nsc14.c14ccccc1Cl.N13CCOCC1 |
11624 | Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c15cccc2nc(N)nc(N)c12.Cc1ccc4cc1.S45 |
11626 | c1ccc(-n2ncnc2-c2csc(-c3ccncc3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][N][=C][Ring1][Branch1][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c1ccc4cc1.n14ncnc15.c15csc6n1.c16ccncc1 |
11627 | c1ccc(-c2nnc(-c3csc(-c4cccnc4)n3)o2)cc1 | [C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c1ccc6cc1.c16nnc5o1.c15csc7n1.c17cccnc1 |
11628 | CN1c2ccccc2Oc2nnc(N3CCCCC3)cc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][Ring2][Ring1][Ring2] | CN1c2ccccc2Oc2nnc4cc21.N14CCCCC1 |
11630 | NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc6cc1.c15ccccc1Cl.C6C4.C35=O.N34 |
11631 | COc1ccc(OC)c(S(=O)(=O)NCc2ccco2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S6(=O)=O)c1.c17ccco1.CO3.O4C.N56.C57 |
11632 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccccc1Cl.CO3.O4C.N56 |
11633 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16cccc(Cl)c1.CO3.O4C.N56 |
11634 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.c16cccc(C#N)c1.CO3.O4C.N56 |
11635 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccc(Cl)cc1.CO3.O4C.N56 |
11636 | COc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc1C#N.CO3.N56.O4C |
11637 | COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc1Cl.CO3.N56.O4C |
11638 | COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc(Cl)c1.CO3.N56.O4C |
11639 | COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(C#N)cc1.CO3.N56.O4C |
11640 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.c16ccc(C#N)cc1.CO3.O4C.N56 |
11641 | O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1ccc(Cl)c(Cl)c1.N12CCOCC1 |
11642 | CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | S3(=O)(=O)c1ccc(Cl)c(Cl)c1.CC2(C)C.N23 |
11643 | O=S(=O)(NCc1ccco1)c1ccc(Cl)c(Cl)c1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S3(=O)c1ccc(Cl)c(Cl)c1.c14ccco1.N23.C24 |
11645 | Cc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n14nc2cc(N)c(Cl)cc2n1.Cc1ccc4cc1 |
11646 | Cc1ccccc1-n1c(=O)c2ccccc2n2nnnc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][=C][Ring1][Branch1] | n13c(=O)c2ccccc2n2nnnc12.Cc1ccccc13 |
11647 | O=C(NS(=O)(=O)c1cccs1)c1ccccc1 | [O][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1cccs1.c14ccccc1.O=C24.N23 |
11648 | O=C(CSc1ccccn1)Nc1ccc(F)cc1F | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c15ccccn1.O=C2C3.S35.N24 |
11649 | O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc5cn1.c14ccc(F)cc1.O=C2C3.C5(F)(F)F.S36.N24 |
11650 | Cc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.c15ccc(F)cc1.C35=O.N34 |
11651 | CCOC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc7cc1.c19ccccn1.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
11653 | CSc1cccc(NC(=O)CSc2ccccn2)c1 | [C][S][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | c17cccc5c1.c16ccccn1.C3(=O)C4.CS7.N35.S46 |
11654 | O=C(CCC(=O)N1CCCC1)Nc1ccc(F)cc1 | [O][=C][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C2CCC3=O.c14ccc(F)cc1.N13CCCC1.N24 |
11655 | Cc1cc(F)c(F)cc1C(=O)N1CCCCCC1 | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1cc(F)c(F)cc13.N12CCCCCC1.C23=O |
11656 | Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | Cc1nc2ccccc2c(=O)n13.c13ccc(F)cc1F |
11657 | N#Cc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | N#Cc1ccccc14.c16ccc5cn1.C2(=O)C3.C5(F)(F)F.N24.S36 |
11658 | Cc1cc(F)c(F)cc1C(=O)N1C(C)CCCC1C | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | Cc1cc(F)c(F)cc13.N12C(C)CCCC1C.C23=O |
11659 | Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | Cc1nc2ccccc2c(=O)n13.c13ccc(F)c(Cl)c1 |
11660 | Cc1ccc(F)cc1NC(=O)CSc1nccn1C | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C] | Cc1ccc(F)cc14.c15nccn1C.C2(=O)C3.N24.S35 |
11661 | CC1CCCC(C)N1C(=O)c1cccc(F)c1F | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] | CC1CCCC(C)N12.c13cccc(F)c1F.C23=O |
11662 | Cc1nc2ccccc2c(=O)n1-c1cc(F)c(F)cc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | Cc1nc2ccccc2c(=O)n13.c13cc(F)c(F)cc1F |
11663 | Cc1cc(F)c(F)c(C(=O)N2CCCC2)c1Cl | [C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][Cl] | Cc1cc(F)c(F)c4c1Cl.N13CCCC1.C34=O |
11664 | Cn1nnnc1SCC(=O)Nc1ccccc1C#N | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c14ccccc1C#N.Cn1nnnc15.C3C2=O.S35.N24 |
11665 | CCOC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P] | c18ccc7cc1.c19nnnn1C.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
11666 | O=c1c2c3c(sc2nc2n1CCCCC2)CCC3 | [O][=C][C][C][=C][Branch1][P][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][#C] | O=c1c2c3c(sc2nc2n1CCCCC2)CCC3 |
11667 | COc1ccc(Cl)cc1NC(=O)CSc1nnnn1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | c13ccc(Cl)cc15.c16nnnn1C.C2(=O)C4.CO3.N25.S46 |
11668 | O=C(CSc1ncccn1)Nc1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c15ccc3cc1.c16ncccn1.O3C(F)(F)F.O=C2C4.S46.N25 |
11669 | Cc1ccc(F)cc1NC(=O)CSc1ncccn1 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cc1ccc(F)cc14.c15ncccn1.C2(=O)C3.N24.S35 |
11670 | O=C(CSc1ncccn1)Nc1ccc(F)cc1C(F)(F)F | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c14ccc(F)cc15.c16ncccn1.O=C2C3.C5(F)(F)F.S36.N24 |
11671 | N#Cc1ccccc1NC(=O)CSc1ncccn1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | N#Cc1ccccc14.c15ncccn1.C2(=O)C3.N24.S35 |
11673 | CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c19nc(C)cc(C)n1.c18ccc7cc1.C4(=O)C6.C38=O.CC5.O35.N47.S69 |
11674 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14ccccc16.c15cccc(F)c1.N13CCCCC1.O=C25.C36=O.N24 |
11675 | Cn1cc(-c2ccc3ccccc3n2)c(=O)c2ccccc21 | [C][N][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1cc4c(=O)c2ccccc21.c14ccc2ccccc2n1 |
11676 | CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl] | S2(=O)(=O)c1cc3ccc1Cl.C3(F)(F)F.CN2 |
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