ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
15439 | CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | C3(=O)CCS(=O)(=O)c1ccc(C)cc1.c15ccc6cc1.CC4.O45.N36 |
15440 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14ccccc1C.N34 |
15441 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14nccs1.N34 |
15442 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S(=O)(=O)CCC4=O)cc1.c15ccc2c(c1)OCO2.N45 |
15443 | Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c15ccc(F)cc1.N34.C45 |
15444 | Cc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.C14CCCCC1C.N34 |
15445 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(F)ccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14cc(F)ccc1F.N34 |
15446 | CCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(C)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C2(=O)CCS(=O)(=O)c1ccc(C)cc1.c14ccccc15.CC3.O34.N25 |
15447 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14ccccc1Cl.N34 |
15448 | Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c15ccccc1.N34.C45 |
15450 | O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C2CCS(=O)(=O)c1ccc(Cl)cc1.c13ccc(F)cc1.N23 |
15452 | Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)CCS(=O)(=O)c1ccc(Cl)cc1.Cc1ccccc13.N23 |
15453 | CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | C3(=O)CCS(=O)(=O)c1ccc(C)cc1.c15cccc4c1.CC5.N34 |
15454 | COc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15nccs1.CO4.N35 |
15457 | COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15cccc(C)c1C.CO4.N35 |
15458 | COc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)cccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15c(C)cccc1C.CO4.N35 |
15459 | COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15cccc(F)c1.CO4.N35 |
15460 | COc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c16ccc(C)cc1.CO4.N35.C56 |
15461 | COc1ccc(S(=O)(=O)CCC(=O)NCc2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S(=O)(=O)CCC3=O)cc1.c16cccs1.CO4.N35.C56 |
15463 | COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c15ccc(F)cc1.CO4.N35 |
15464 | COc1ccc(S(=O)(=O)CCC(=O)NCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S(=O)(=O)CCC3=O)cc1.c16ccccc1.CO4.N35.C56 |
15465 | CCOC(=O)c1cnn(-c2ccccc2Cl)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][N] | c15cnn6c1N.c16ccccc1Cl.C35=O.CC4.O34 |
15466 | CC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][C][C][N][Ring1][#Branch2][C][C][C][Ring1][=C] | c15cc2cc3c4c(c2oc1=O)CCCN4CCC3.CC5=O |
15467 | Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.C15CCC(=O)N16.c18cccnc1.C7C4.C35=O.N34.C68 |
15469 | COC(=O)c1ccc(-c2nc3cc(N)ccc3o2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring1][S] | c16nc2cc(N)ccc2o1.c15ccc6cc1.C45=O.CO4 |
15470 | COC(=O)C(NC(=O)c1ccccc1)=C1C=C(C)OC(C)=C1 | [C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][Branch2] | C1=5C=C(C)OC(C)=C1.C2(=O)C=5N3.c14ccccc1.C34=O.CO2 |
15471 | CC1(C)C(=O)OC(c2ccc(F)cc2)C(C)(C)C1=O | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][=O] | CC1(C)C(=O)OC3C(C)(C)C1=O.c13ccc(F)cc1 |
15473 | CCOc1ccc2c(c1)sc1nc(=O)c3ccncc3n12 | [C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][Ring1][#C] | c15ccc2c(c1)sc1nc(=O)c3ccncc3n12.CC4.O45 |
15474 | O=S1(=O)CCN2C(=N1)Sc1cc(F)ccc12 | [O][=S][=Branch1][C][=O][C][C][N][C][=Branch1][Ring2][=N][Ring1][#Branch1][S][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O] | O=S1(=O)CCN2C(=N1)Sc1cc(F)ccc12 |
15475 | COC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S] | c16ccc5cc1.c17cccc(C)c1.C36=O.C47=O.CO3.N45 |
15476 | COc1ccc2c(c1OC)C(=O)N(c1ccc(C)cc1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15ccc(C)cc1.CO3.O4C |
15478 | CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | c15ccc6c2ccccc12.S4(=O)(=O)c1ccccc1.CC3=O.N35.N46 |
15480 | COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)CCS(=O)(=O)c1ccc(Cl)cc1.CO2 |
15481 | COC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1 | [C][O][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | C2(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1.CO2 |
15482 | COC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1 | [C][O][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | C2(=O)CCS(=O)(=O)c1ccc(C)c(C)c1.CO2 |
15483 | COC(=O)CCS(=O)(=O)c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C2(=O)CCS(=O)(=O)c1ccc(Br)cc1.CO2 |
15484 | O=S(=O)(Cc1ccccc1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(C2)c1ccc(Cl)cc1.c12ccccc1 |
15485 | O=C(Nc1cc(Cl)cc(Cl)c1)c1ccco1 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1] | c13cc(Cl)cc(Cl)c1.c14ccco1.O=C24.N23 |
15486 | Cc1cc(N)cc(N)c1NC(=O)c1ccc(N)cc1 | [C][C][=C][C][Branch1][C][N][=C][C][Branch1][C][N][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | Cc1cc(N)cc(N)c13.c14ccc(N)cc1.C24=O.N23 |
15487 | COC(=O)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=C][Ring1][P] | c15ccc(N)cc1N.c16ccc7cc1.C36=O.C47=O.CO3.N45 |
15489 | CC(=O)Oc1ccc(C(=O)c2ccccc2)c(OC(C)=O)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring2][Ring1][C] | c15ccc7c6c1.c18ccccc1.CC3=O.C78=O.C4(C)=O.O35.O46 |
15490 | CCOC(=O)c1cc(O)c(C(=O)OCC)cc1O | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][N][O] | c16cc(O)c7cc1O.C26=O.C37=O.CC4.O24.O35.C5C |
15491 | Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccc6cc1.c16csc(C)n1.N45 |
15492 | CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | c15cccc2c(S4(=O)=O)cccc12.N14CCOCC1.CN5C |
15493 | CN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][S] | c16cccc2c(S4(=O)=O)cccc12.c15ccccn1.CN6C.N45 |
15494 | CN(C)c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12 | [C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#C] | c15cccc2c(S4(=O)=O)cccc12.N14CCCCC1.CN5C |
15495 | Cc1c(C(=O)NC(C)C)c(-c2ccccc2)nn1-c1ccccc1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c5c7nn16.c17ccccc1.c16ccccc1.C35=O.C4(C)C.N34 |
15496 | CCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2] | S5(=O)(=O)c1cccc2c6cccc12.N345.N6(C)C.CC3.C4C |
15497 | Cc1ccc2[nH]c(SCC(=O)c3ccco3)nc2c1 | [C][C][=C][C][=C][NH1][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2[nH]c6nc2c1.c15ccco1.C4C5=O.S46 |
15498 | O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15nc2ccccc2[nH]1.c14ccc2c(c1)OCO2.O=C4C3.S35 |
15502 | Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C] | c16ccc(S(N)(=O)=O)cc1.Cc1ccc5cc1C.C35=O.N34.C46 |
15503 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 | [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][N][=C][Ring1][P] | S3(=O)(=O)c1ccc(Cl)cc1.Cc1ccc4nc1.N34 |
15504 | CC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc7cc1.C18CCCO1.CC3=O.C47=O.N36.N45.C58 |
15505 | Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.Cc1ccccc15.C4C3=O.O45.N36 |
15506 | CCCC(=O)Nc1ccc2nn(-c3ccc(OC)cc3)nc2c1 | [C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][=N][C][=Ring1][P] | c16ccc2nn7nc2c1.c17ccc5cc1.CCCC4=O.N46.O5C |
15507 | COc1ccc(OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c16ccc7cc1.c18ccc9cc1.C5C3=O.C4(C)=O.CO6.O57.N38.N49 |
15508 | Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12 | [C][C][=N][N][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][O][N][=C][Ring1][Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1nnc2c4nc3nonc3n12.c15ccc(Cl)cc1.N45 |
15509 | CCOC(=O)c1ccc(Nc2nc3nonc3n3cnnc23)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c16nc2nonc2n2cnnc12.c18ccc7cc1.C48=O.CC5.O45.N67 |
15510 | CCN(c1ccccc1)c1nc2nonc2n2c(C)nnc12 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=N][Ring1][=Branch1] | c14nc2nonc2n2c(C)nnc12.c15ccccc1.N345.CC3 |
15511 | COC(=O)C1=C(C)NC(=O)CC1c1cccc(Cl)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)CC13.c13cccc(Cl)c1.CO2 |
15512 | CCOC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P] | c15cc2n(n1)C(C(F)(F)F)CC6N2.c16ccccc1.C35=O.CC4.O34 |
15513 | CCOc1ccc(-c2cc(C)n3nc(C(=O)OC)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][Branch1][C][C][N][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][=Branch2][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c18cc(C)n2nc7cc2n1.c16ccc8cc1.C47=O.CC5.O56.O4C |
15514 | COC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C)n2n1 | [C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][C][C][N][Ring1][=C][N][=Ring1][P] | c15cc2nc6cc(C)n2n1.c16ccc(F)cc1.C45=O.CO4 |
15515 | CC(=O)Nc1c(C)cc(Cc2cc(C)c(NC(C)=O)c(C)c2)cc1C | [C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][Branch2][C][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C] | c15c(C)cc7cc1C.c18cc(C)c6c(C)c1.CC3=O.C4(C)=O.N35.C78.N46 |
15516 | Cc1ccc(C2CC(C(F)(F)F)n3nc(CO)cc3N2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][Branch1][Ring1][C][O][C][=C][Ring1][#Branch1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C15CC(C(F)(F)F)n2nc4cc2N1.Cc1ccc5cc1.C4O |
15517 | CCN1C(=O)N(CC)C(OC(C)=O)C1OC(C)=O | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][N][O][C][Branch1][C][C][=O] | N16C(=O)N7C4C15.C2(C)=O.C3(C)=O.CC6.C7C.O24.O35 |
15518 | O=C(CSc1nnnn1-c1ccccc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c15nnnn14.c14ccccc1.O=C3C2.S25 |
15519 | Clc1ccc(OCCn2ccnc2)c(Cl)c1 | [Cl][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C] | Clc1ccc4c(Cl)c1.n15ccnc1.C3C5.O34 |
15520 | CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccco1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc15.c16ccco1.CC4(C)C.C27=O.C36=O.N24.N35 |
15522 | COc1ccc(C2Nc3ccccc3NC3=C2C(=O)NC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | C15Nc2ccccc2NC2=C1C(=O)NC2.c14ccc5cc1.CO4 |
15523 | CCOC(=O)C1CC(=O)Nc2cc(OC)c(OC)cc21 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C] | C3(=O)C1CC(=O)Nc2cc5c6cc21.CC4.O34.O5C.O6C |
15525 | CCOC(=O)C1CCc2nc3ccccc3c(=O)n21 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][Ring1][=C] | C4(=O)C1CCc2nc3ccccc3c(=O)n21.CC5.O45 |
15526 | COc1ccc(C(C#N)C2(C)OCCO2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][Branch1][Ring1][C][#N][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c13ccc6cc14.C15(C)OCCO1.C56C#N.CO3.O4C |
15530 | Cc1cccc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c14ccc(Cl)c6c1.Cc1cccc5c1.C35=O.C6(N)=O.N34 |
15531 | Cc1ccc2c(NC(=O)c3ccccc3F)cccc2n1 | [C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2c5cccc2n1.c16ccccc1F.C46=O.N45 |
15532 | Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1 | [C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc(=O)c4c(C)n13.c14ccccc1.c13ccccc1 |
15533 | OCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 | [O][C][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1] | c16ccc(Cl)cc1Cl.C14COC56O1.n13cncn1.OC4.C35 |
15534 | COc1cc(-c2ncnn2-c2ccc(Cl)cc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=N][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c13cc7cc4c15.c16ccc(Cl)cc1.c17ncnn16.CO3.O4C.O5C |
15535 | Cc1cc(Br)ccc1S(=O)(=O)N1CCCCC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | Cc1cc(Br)ccc1S2(=O)=O.N12CCCCC1 |
15536 | O=C(c1ccc(C(=O)N2CCOCC2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.N14CCOCC1.N13CCOCC1.O=C35.C46=O |
15537 | Clc1ccc(CSc2cn3c(n2)CCC3)cc1 | [Cl][C][=C][C][=C][Branch1][P][C][S][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c16cn2c(n1)CCC2.Clc1ccc5cc1.C45.S46 |
15538 | Cc1ccc(C)c(S(=O)(=O)N2CCC(C)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][P] | Cc1ccc(C)c(S3(=O)=O)c1.N13CCC(C)CC1 |
15539 | N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2 | [N][#C][C][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Ring1][=C][C][C][C][C][Ring1][=Branch1] | N#Cc1c(N)c3n2c1CCCC2.c14ccccc1.C34=O |
15540 | CCOC(=O)c1c(NC(=O)CC)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][S][C][Branch1][C][C][=C][Ring1][O][C] | c16c5sc(C)c1C.C3(=O)CC.C26=O.CC4.O24.N35 |
15541 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(C)cc1 | [C][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][Branch1][C][C][C][=C][Ring1][#Branch1] | c16cc(C)sc15.c17ccc(C)cc1.C26=O.C37=O.CC4.O24.N35 |
15542 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(OC)cc1 | [C][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][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17cc(C)sc16.c18ccc5cc1.C27=O.C38=O.CC4.O24.N36.O5C |
15543 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1F | [C][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][C][=C][Ring1][=Branch1][F] | c16cc(C)sc15.c17ccccc1F.C26=O.C37=O.CC4.O24.N35 |
15544 | CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][Branch1][C][C][=C][Ring1][S][C] | c17c6sc(C)c1C.c18ccccc1F.C37=O.C48=O.CC5.O35.N46 |
15545 | CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(F)cc1 | [C][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][Branch1][C][F][C][=C][Ring1][#Branch1] | c16cc(C)sc15.c17ccc(F)cc1.C26=O.C37=O.CC4.O24.N35 |
15547 | CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5CC(=O)N1.c15ccccc1Cl.C4(C)C.O34 |
15548 | COc1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | n16cnc2sc3c(c2c1=O)CCCC3.c15ccc6cc1.CO5 |
15549 | Cc1ccc(-n2cnc3sc4c(c3c2=O)CCC4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | n15cnc2sc3c(c2c1=O)CCC3.Cc1ccc5cc1 |
15550 | CCc1cc2c(=O)n(-c3ccccc3)cnc2s1 | [C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][=N][S][Ring1][S] | c14cc2c(=O)n5cnc2s1.c15ccccc1.CC4 |
15551 | CC1=C(C(=O)OC(C)C)C(c2ccccc2F)CC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5CC(=O)N1.c15ccccc1F.C4(C)C.O34 |
15552 | NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S] | c14ccc(Cl)c(S3(=O)=O)c1.N13CCCCC1.NC4=O |
15554 | Cc1c(NC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c4c(=O)n6n1C.c16ccccc1.c15cccs1.C35=O.N34 |
15555 | COc1cc(SC)ccc1C(=O)NCC1CCCO1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c13cc7ccc15.C16CCCO1.C25=O.CO3.S7C.N24.C46 |
15557 | COc1cc(SC)ccc1C(=O)NCc1ccco1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c13cc7ccc15.c16ccco1.C25=O.CO3.S7C.N24.C46 |
15558 | COc1cc(SC)ccc1C(=O)n1nnc2ccccc21 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | C4(=O)n1nnc2ccccc21.c13cc5ccc14.CO3.S5C |
15559 | COc1cc(SC)ccc1C(=O)N1CCCCCC1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c13cc5ccc14.N12CCCCCC1.C24=O.CO3.S5C |
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