ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30501 | Nc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][P] | c14ccc(Cl)cc1Cl.Nc1cccc5c1.C35=O.N34 |
30502 | Oc1ccc(-c2csc(NCc3ccco3)n2)c(O)c1 | [O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] | Oc1ccc7c(O)c1.c17csc5n1.c16ccco1.N45.C46 |
30503 | Cc1cc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | Cc1cc(C)c7c(C)c1.c16ccc8cc1.n18cnnn1.C4(=O)C5.N47.O56 |
30504 | Cc1cccnc1NC(=O)C12CCC(C)(C(=O)C1)C2(C)C | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C] | C125CCC(C)(C(=O)C1)C2(C)C.Cc1cccnc14.C35=O.N34 |
30505 | CCNC(=O)c1cc(Br)c(C)c(C)c1C | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C] | c14cc(Br)c(C)c(C)c1C.C24=O.CC3.N23 |
30506 | CSc1cccc(NC(=O)C2COc3ccccc3O2)c1 | [C][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.c17cccc5c1.C46=O.CS7.N45 |
30507 | COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(C)=O | [C][O][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][N][C][Branch1][C][C][=O] | c14cc(S5(=O)=O)ccc17.c16cccc(C)c1.C3(C)=O.CO4.N56.N37 |
30509 | CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1Cl | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | S3(=O)(=O)c1cc(Cl)ccc1Cl.CC2(C)C.N23 |
30511 | Cc1cccc2c(=O)cc(C)n(Cc3ccccc3)c12 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1cccc2c(=O)cc(C)n4c12.c15ccccc1.C45 |
30513 | O=C(CSc1nnc(-c2ccncc2)o1)NC1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1] | c16nnc7o1.c17ccncc1.C15CCCCC1.O=C3C4.S46.N35 |
30514 | COC(C(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc16.c17ccccc1.C47C2=O.N13CCCC1.C36=O.CO4.N25 |
30515 | CCN(C(=O)C1CC(=O)OC12CCOC(C)(C)C2)c1ccccc1 | [C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CC(=O)OC12CCOC(C)(C)C2.c15ccccc1.N345.C36=O.CC4 |
30518 | O=C(COc1ccc(F)cc1)Nc1c(F)cccc1F | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c15c(F)cccc1F.c14ccc(F)cc1.O=C2C3.O34.N25 |
30519 | Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.Cc1cccc6c1.C36=O.N4(C)C.N35 |
30521 | O=C(Oc1ccc(OC(=O)N2CCOCC2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1] | c17ccc8cc1.N16CCOCC1.N15CCOCC1.O=C35.C46=O.O37.O48 |
30523 | CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(C)(C1)C2O | [C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][#C][C][Ring1][=C][O] | N13CC2(C)CN4CC(C)(C1)C2O.CCCC3=O.C4(=O)CCC |
30524 | CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16cccc(F)c1.c15ccccc1F.CS4(=O)=O.C3C2=O.N345.N26 |
30526 | Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][#Branch1] | n16c(C)cc(=O)c2cccc(C)c21.Cc1ccc5cc1.C4(=O)C6.N45 |
30527 | CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(CC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][Branch1][#Branch1][C][C][Ring2][Ring1][Ring1][=O][C][Ring2][Ring1][Branch1][Branch1][C][C][C] | CC12CCC7(CC1=O)C2(C)C.c16ccc2c(c1)OCCO2.C57=O.N56 |
30528 | CC(C)COc1ccc(C(=O)NCc2ccco2)cc1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c15ccc7cc1.c18ccco1.CC(C)C4.C37=O.O45.N36.C68 |
30529 | COC(C(=O)Nc1cccc(F)c1)c1ccccc1 | [C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cccc(F)c1.c15ccccc1.C35C2=O.CO3.N24 |
30530 | COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c13ccc(S4(=O)=O)cc1.c15cccc6c1.C6(C)=O.CO3.N45 |
30531 | CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)n1cnc3c14.c13ccccc1.c14ccccc1 |
30532 | COc1cccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][=Branch1] | n17c(C)cc(=O)c2ccccc21.c15cccc6c1.C4(=O)C7.CO5.N46 |
30533 | COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc(C)c1C.CO3.N56.O4C |
30534 | COc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c18ccccc1.C4C3=O.N37C.CO5.O46.C78 |
30535 | COC(=O)c1cccc(OCC(=O)Nc2c(C)cc(C)cc2C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c17c(C)cc(C)cc1C.c18cccc6c1.C5C4=O.C38=O.CO3.O56.N47 |
30536 | CN(C(=O)n1nnc2ccccc21)c1ccccc1 | [C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3(=O)n1nnc2ccccc21.c14ccccc1.CN34 |
30537 | CCc1ccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring1] | c17ccc6cc1.N13CCCC1.C4C3=O.S5(C)(=O)=O.N456.CC7 |
30539 | CCc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc6cc1.C17CCCC1.C4C3=O.S5(C)(=O)=O.N456.CC8.N37 |
30540 | COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(C)c21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring1][=N] | n16c(C)cc(=O)c2cccc(C)c21.c14ccccc15.C3(=O)C6.CO4.N35 |
30541 | COc1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2] | C127CCC(C)(C(=O)C1)C2(C)C.c15ccc6cc1.C47=O.CO5.N46 |
30542 | CCc1ccc(N(CC(=O)N2CCOCC2)S(C)(=O)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.N13CCOCC1.C4C3=O.S5(C)(=O)=O.N456.CC7 |
30543 | COc1cccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][Ring2][Ring1][Branch1] | C5(=O)CC1(O)C(=O)N(C)c2ccccc21.c14cccc5c1.CO4 |
30544 | COc1ccccc1NC(=O)CCSc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc15.c16ccccc1.C2(=O)CC4.CO3.N25.S46 |
30546 | O=C(Nc1ccc(Cl)cc1F)c1cccs1 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][=C][C][=C][S][Ring1][Branch1] | c13ccc(Cl)cc1F.c14cccs1.O=C24.N23 |
30547 | CC(=O)Nc1ccc(NC(=O)c2cccs2)c(C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#C] | c15ccc6c(C)c1.c17cccs1.CC3=O.C47=O.N35.N46 |
30548 | CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c16ccc2nc7sc2c1.c18ccoc1C.C48=O.CC5.O56.N47 |
30549 | Cc1nc(NC(=O)c2cccs2)sc1C(=O)N(C)C | [C][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1nc5sc17.c16cccs1.C36=O.C47=O.N4(C)C.N35 |
30550 | O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCO1 | [O][=C][Branch1][P][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][C][C][C][O][Ring1][Branch1] | c13cc(Cl)c(Cl)cc1Cl.C14CCCO1.O=C24.N23 |
30553 | Cc1occc1C(=O)N1CCN(c2ncccn2)CC1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | N13CCN4CC1.Cc1occc15.c14ncccn1.C35=O |
30554 | Cc1ccc(NC(=O)c2ccoc2C)c(Br)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][C][Br][=C][Ring1][S] | Cc1ccc4c(Br)c1.c15ccoc1C.C35=O.N34 |
30555 | Cc1occc1C(=O)NC(c1ccccc1)c1ccccc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1occc14.c15ccccc1.c16ccccc1.C24=O.C356.N23 |
30556 | O=S(=O)(NCc1cccs1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Br)cc1.c14cccs1.N23.C24 |
30557 | CC1CCc2cc(F)ccc2N1C(=O)c1cccnc1 | [C][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | CC1CCc2cc(F)ccc2N13.c14cccnc1.C34=O |
30558 | Cc1cccc(C)c1NC(=O)C(C)Oc1ccccc1F | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1cccc(C)c15.c14ccccc1F.C2(=O)C3C.N25.O34 |
30560 | COc1ccccc1CNC(=O)COc1cccc(C)c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C] | c15cccc(C)c1C.c14ccccc17.C2(=O)C3.CO4.C67.N26.O35 |
30561 | Cc1ccc(CNC(=O)C(C)Oc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.c15ccc(F)cc1.C3(=O)C4C.C67.N36.O45 |
30563 | Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(C)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | Cc1cc5c(C)c(C)c1.c16cccc(C)n1.C4C3=O.O45.N36 |
30564 | CC(Oc1ccccc1F)C(=O)Nc1cccnc1 | [C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc1F.c15cccnc1.CC3C2=O.O34.N25 |
30565 | CC(=O)Nc1ccc(NC(=O)C(C)Oc2ccccc2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16ccccc1F.C4(=O)C5C.CC3=O.N37.N48.O56 |
30566 | CC1CCN(C2(O)C(=O)Nc3ccc(Cl)cc32)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][C] | CC1CCN(C2(O)C(=O)Nc3ccc(Cl)cc32)CC1 |
30568 | COC(=O)c1ccc(NC(=O)C(C)Oc2ccc(F)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc7cc1.c16ccc(F)cc1.C4(=O)C5C.C38=O.CO3.N47.O56 |
30569 | COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][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] | S4(=O)(=O)c1ccc(Cl)cc1.c16ccc5cc1.C3(=O)C6.CO3.N45 |
30570 | Cc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][=C][S][Ring2][Ring1][Ring2] | c15ccc(S4(=O)=O)cc1.Cc1nc5cs1.N14CCCCC1 |
30571 | O=C(OCC(=O)c1ccccc1Cl)c1cnccn1 | [O][=C][Branch1][S][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccccc1Cl.c14cnccn1.C3C5=O.O=C24.O23 |
30572 | COc1ccc(OC(=O)C(C)Oc2ccccc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17ccccc1F.C3(=O)C4C.CO5.O36.O47 |
30573 | CSc1nnc2c(n1)OC(C)Nc1ccc(Br)cc1-2 | [C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][=C] | c13nnc2c(n1)OC(C)Nc1ccc(Br)cc1-2.CS3 |
30574 | Nc1nncn1C(=O)c1ccc(Br)cc1 | [N][C][=N][N][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Nc1nncn1C2=O.c12ccc(Br)cc1 |
30575 | CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][C] | c16cc7ccc1C.c18ccc(C)cc1.C5C8=O.CC4=O.C37=O.N46.O35 |
30576 | COc1ccc(CNC(=O)COc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16ccc(F)cc1.C3(=O)C4.CO5.C78.N37.O46 |
30577 | COC(=O)c1cccc(NC(=O)c2ccco2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=C][C] | c17cccc5c1C.c16ccco1.C37=O.C46=O.CO3.N45 |
30579 | Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][N][N][=Ring2][Ring1][Branch1] | c14nnc2n1N=C(c1ccccc1)CS2.Cc1cc(C)n4n1 |
30580 | Cc1cccc(OCC(=O)Nc2ccccc2CO)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.c16ccccc17.C4C3=O.O45.N36.C7O |
30584 | CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccco1 | [C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccc(Cl)cc1.CC3(C)C2=O.c16ccco1.O34.N25.C56 |
30585 | COC(=O)c1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C] | c18cccc7c1C.c19ccc6cc1.C38=O.C59=O.C4(C)=O.CO3.N57.O46 |
30586 | Cc1cc(C)c(C)c(OCC(=O)NCC2CCCO2)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5c(C)c(C)c1.C17CCCO1.C4C3=O.O45.N36.C67 |
30587 | Cc1cccc(C)c1OCC(=O)NCc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.Cc1cccc(C)c15.C4C3=O.O45.N36.C67 |
30588 | CCC(Oc1ccccc1)C(=O)Nc1ncccc1C | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C] | c15ncccc1C.CCC3C2=O.c14ccccc1.O34.N25 |
30589 | O=C(Nc1ccc2c(c1)OCCO2)C1CC1c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.c16ccccc1.C15CC16.O=C35.N34 |
30590 | Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)on3)nc2)no1 | [C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][N][=C][Ring1][#C][=N][O][Ring2][Ring1][#Branch1] | c19ccc8nc1.Cc1cc6no1.c17cc(C)on1.C49=O.C58=O.N46.N57 |
30591 | CCC(Oc1ccccc1)C(=O)Nc1nc(C)c(C)s1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1] | c15nc(C)c(C)s1.CCC3C2=O.c14ccccc1.O34.N25 |
30592 | COc1ccc(Cl)cc1C(=O)n1nc(C)cc1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C] | C3(=O)n1nc(C)cc1C.c12ccc(Cl)cc13.CO2 |
30593 | COC(=O)c1cc(NC(=O)Nc2ccccc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2] | c19cc7cc%10c1.c18ccccc1.C39=O.C56=O.C4%10=O.CO3.N57.N68.O4C |
30594 | CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#C][C] | c19c7sc8c1C.C29=O.C34=O.C58=O.N5(C)C.CC6.O26.N47.O3C |
30595 | O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Cl | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccc7cc1.c16ccccc1Cl.N14CCCCC1.O=C36.C47=O.N35 |
30597 | Cc1occc1C(=O)NC(C)CCc1ccccc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1occc14.c15ccccc1.C3(C)CC5.C24=O.N23 |
30598 | COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1] | c17c5sc2c1CCC2.c16ccc(C)o1.C37=O.C46=O.CO3.N45 |
30599 | CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18ccc(C)c(Cl)c1.c17ccc6cc1.C5C4=O.CC3=O.N37.O56.N48 |
30600 | O=C(COc1ccc(Cl)cc1Cl)n1cccn1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=N][Ring1][Branch1] | O=C(C2)n1cccn1.c13ccc(Cl)cc1Cl.O23 |
30603 | O=C(NCc1ccco1)c1csc2ccccc12 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c15csc2ccccc12.c16ccco1.O=C35.N34.C46 |
30605 | O=C(NCCc1cccc(Cl)c1)c1ccncc1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1] | c15cccc(Cl)c1.c14ccncc1.O=C24.C3C5.N23 |
30606 | COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c13ccc(S5(=O)=O)cc1.c16ccc(F)cc1.CO3.N45.C46 |
30607 | COc1ccc(CCC(=O)Nc2cc(Cl)ccn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c15cc(Cl)ccn1.C6CC3=O.CO4.N35 |
30608 | CC(Oc1cccc(Cl)c1)C(=O)NCc1ccccn1 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14cccc(Cl)c1.c16ccccn1.CC3C2=O.O34.N25.C56 |
30611 | COC(=O)c1sc(NC(=O)c2ccncc2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c16sc5nc1C.c17ccncc1.C36=O.C47=O.CO3.N45 |
30612 | O=C(NCc1cccs1)c1cccc(Br)c1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.c15cccs1.O=C24.N23.C35 |
30613 | COc1ccc(Cl)cc1S(=O)(=O)N1CC(C)OC(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][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c12ccc(Cl)cc1S3(=O)=O.N13CC(C)OC(C)C1.CO2 |
30615 | CCc1ccc(-c2c(C)sc(NC(C)=O)c2C(N)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1] | c17c(C)sc4c15.c16ccc7cc1.C3(C)=O.C5(N)=O.CC6.N34 |
30616 | COc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc(S(N)(=O)=O)cc1.c14ccc6cc1.C6CC3=O.CO4.N35 |
30617 | Cc1occc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1occc15.C35=O.N34 |
30618 | O=C(NCc1ccc(Cl)c(Cl)c1)c1ccco1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(Cl)c(Cl)c1.c14ccco1.O=C24.N23.C35 |
30619 | CCSc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][S][Ring2][Ring1][Ring2] | c17c9noc1C.c18nnc6s1.c19ccccc1.C47=O.CC5.S58.N46 |
30620 | COC(=O)c1sccc1NC(=O)C1CCCO1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c16sccc14.C15CCCO1.C26=O.C35=O.CO2.N34 |
30622 | CCOC(=O)N1CCN(c2cccc(C)c2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C] | c16cccc(C)c1C.N14CCN6CC1.C34=O.CC5.O35 |
30623 | CCOC(=O)c1ccccc1NC(=O)c1ccc(C)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c17ccccc15.c16ccc(C)o1.C27=O.C36=O.CC4.O24.N35 |
30625 | CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Ring2] | c17sc(C)c(C)c19.c16ccc8cc1.C48=O.C39=O.CC5.O56.N47.O3C |
30628 | Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.N14CCCCCC1.Cc1nc5cs1 |
30629 | CC(C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | c14ccc5cc1.C3(=O)C(C)(C)C.CC(C)C2=O.N24.N35 |
30630 | O=C(COC(=O)c1ccncc1)c1ccc2ccccc2c1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.c16ccncc1.O=C5C4.C36=O.O34 |
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