ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
38328 | CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C] | S8(=O)(=O)c1ccc7cc1.N14CCN8CC1.C34=O.CC5.O35.O67.C6C |
38329 | Cc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n14c(=O)oc2ccc(Cl)cc2c1=O.Cc1ccc4cc1 |
38330 | CC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)c(F)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][Branch1][C][F][=C][Ring2][Ring1][Ring2] | c17ccc5c(F)c1.N15CCN4CC1.c16ccco1.CC7=O.C46=O |
38331 | CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(F)c1 | [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][Branch1][C][F][=C][Ring1][#Branch1] | c16cccc(F)c1.c15cccc(F)c1.CS4(=O)=O.C3C2=O.N345.N26 |
38332 | CN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | c15ccc7cc1.c16ccccc1F.S4(C)(=O)=O.CN45.C37=O.N36 |
38333 | Cc1ccc(S(=O)(=O)CC(=O)N2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)CC3=O)cc1.N13CCCC1 |
38334 | CC(C)n1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21 | [C][C][Branch1][C][C][N][C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n14c6nc2ccccc21.C16CC(=O)N5C1.c15ccccc1.CC4C |
38335 | CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.c17cccs1.CCC4C.C37=O.N45.N36 |
38336 | Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nncn2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][C][=N][N][=C][N][Ring1][Branch1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16nncn1N.C3(C)(C)C4.N35.S46 |
38337 | COc1ccc(C(=O)Nc2c(F)cccc2F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16c(F)cccc1F.C37=O.CO4.N36.O5C |
38338 | O=S1(=O)N=C(Nc2nc3c(s2)CCCC3)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | O=S1(=O)N=C(N4)c2ccccc21.c14nc2c(s1)CCCC2 |
38339 | Cn1c(=O)c2ncn(CC(=O)Nc3ccc(F)cc3)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][N][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2ncn6c2n(C)c1=O.c15ccc(F)cc1.C6C4=O.N45 |
38342 | CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.c15cccc(C)c14.CC5.N34 |
38344 | Cc1cccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C] | S3(=O)(=O)c1ccc(S(N)(=O)=O)cc1.Cc1cccc4c1C.N34 |
38346 | Cc1noc(C)c1CSc1nc2ccccc2[nH]1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.Cc1noc(C)c14.C34.S35 |
38347 | O=C(COc1ccccc1)N(Cc1ccco1)c1ccc(O)cc1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c16ccc(O)cc1.c14ccccc1.c17ccco1.O=C2C3.N256.O34.C57 |
38348 | Cn1c(=O)c2ncn(CC(=O)Nc3ccc(Cl)cc3)c2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][N][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2ncn6c2n(C)c1=O.c15ccc(Cl)cc1.C6C4=O.N45 |
38349 | CC(=O)Nc1nnc(SCC(=O)c2ccc(F)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(F)cc1.c15nnc7s1.C4C6=O.CC3=O.N35.S47 |
38350 | Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C | [C][C][=C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C] | Cc1cc2oc6c(C)c2cc1C.c15cccnc1.C46=O.N45 |
38352 | Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)c(C)c1.c15ccccc1.C35=O.N34 |
38353 | O=C(Cn1c(=O)oc2ccccc21)Nc1cc(Cl)ccc1Cl | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | n15c(=O)oc2ccccc21.c14cc(Cl)ccc1Cl.O=C3C5.N34 |
38354 | COc1ccc(S(=O)(=O)NCc2ccccc2C)cc1C | [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][C] | c13ccc(S5(=O)=O)cc1C.c16ccccc1C.CO3.N45.C46 |
38355 | CCc1cccc(CC)c1NC(=O)CSc1ncccn1 | [C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | c15cccc6c14.c17ncccn1.C2(=O)C3.CC5.C6C.N24.S37 |
38356 | CCOC(=O)c1cc(NC(=O)Nc2ccccn2)c(C)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][C][N][=C][Ring1][P][C] | c19cc8c(C)nc1C.c17ccccn1.C39=O.C45=O.CC6.O36.N48.N57 |
38357 | CN(CC(O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | n15c2ccccc2c2ccccc21.C3C(O)C5.S4(C)(=O)=O.CN34 |
38358 | O=C(CS(=O)(=O)c1ccccc1)N1CCCCC1 | [O][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=C2CS(=O)(=O)c1ccccc1.N12CCCCC1 |
38359 | C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C(N)=O)C2)c1 | [C][=C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | C=C(C)c1cccc7c1.N14CCCC6C1.C57(C)C.C34=O.C6(N)=O.N35 |
38360 | Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1 | [C][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cn1c5nnc17.c16ccccc1.N13CCCC1.C4C3=O.C5C6.S47 |
38361 | NC(=O)COc1ccc(NC(=O)CCc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1.C3(=O)CC7.NC(=O)C4.O45.N36 |
38362 | CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc(S6(=O)=O)cc1.c17ccccn1.CC3.O34.N56.C57 |
38363 | Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nn2cnnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S3(=O)=O)cc1.C4(=O)Nn1cnnc1.N13CCCC14 |
38364 | O=C(CSc1nnc(-c2cccnc2)o1)N1CCCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][C][Ring1][#Branch1] | N13CCCCCC1.c15nnc6o1.c16cccnc1.O=C3C4.S45 |
38365 | O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][Branch2][N][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=C][C][C][C][C][O][Ring1][Branch1] | c15ccc(Cl)cc1.c16nnc8s1.C17CCCO1.O=C37.N36.C48.O45 |
38367 | Cn1nnnc1SCC(=O)Nc1cccc(Cl)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.Cn1nnnc15.C3C2=O.S35.N24 |
38368 | Cn1ccnc1SCC(=O)Nc1ccc2c(c1)COC2=O | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] | c15ccc2c(c1)COC2=O.Cn1ccnc16.C4C3=O.S46.N35 |
38369 | O=C(Cc1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccc(Br)cc1.O=C3C5.N34 |
38370 | COc1ccc(S(=O)(=O)NCc2ccncc2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C] | c13ccc(S5(=O)=O)cc1C.c16ccncc1.CO3.N45.C46 |
38371 | Cc1cc(C)nc(SCCC(=O)N2CCOCC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc5n1.N13CCOCC1.C4CC3=O.S45 |
38372 | O=C(CCc1ccccc1)Nc1cccc(C(=O)N2CCOCC2)c1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C] | c15cccc6c1.c17ccccc1.N14CCOCC1.O=C3CC7.C46=O.N35 |
38373 | Cn1nnnc1SCC(=O)Nc1ccc(F)cc1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.Cn1nnnc15.C3C2=O.S35.N24 |
38374 | O=C(CSc1cccc2cccnc12)N1CCCC1 | [O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15cccc2cccnc12.N13CCCC1.O=C3C4.S45 |
38375 | Cc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][Branch1] | n16cnc2ccccc2c1=O.Cc1nnc5s1.C4(=O)CC6.N45 |
38376 | O=C(CSc1nc2cc(Cl)ccc2o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c15nc2cc(Cl)ccc2o1.N13CCOCC1.O=C3C4.S45 |
38377 | CC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][P] | c16cccc5c1.c17nnnn1C.C3(=O)C4.CC6=O.N35.S47 |
38379 | CC(=O)Nc1ccc(C(=O)CSc2cccc3cccnc23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18cccc2cccnc12.c16ccc7cc1.C7(=O)C5.CC4=O.N46.S58 |
38380 | CCC(CC)c1nnc(NC(=O)c2ccco2)s1 | [C][C][C][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N] | c16nnc4s1.CCC6CC.c15ccco1.C35=O.N34 |
38381 | Cc1nnc(Sc2c(N)n(C)c(=O)n(C)c2=O)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][=C][Branch1][C][N][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=O][S][Ring1][P] | c14c(N)n(C)c(=O)n(C)c1=O.Cc1nnc3s1.S34 |
38382 | CC(C)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c15ccc(S3(=O)=O)cc1.N13CCC4CC1.CC5C.C4(N)=O |
38383 | CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][Branch1][C][C][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.c17ccco1.CCC4C.C37=O.N45.N36 |
38384 | Cc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][Ring1][P] | Cc1cc(=O)oc2ccc6cc12.N14CCC(C)CC1.C5C4=O.O56 |
38386 | COc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | n15c(=O)oc2ccc(Cl)cc2c1=O.c14ccc5cc1.CO4 |
38388 | CCOC(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | n19c(=O)oc2ccccc21.c18ccc7cc1.C5(=O)C9.C48=O.CC6.O46.N57 |
38389 | Cc1ccc(NC(=O)C(C)Sc2nnc(C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16nnc(C)s1.C3(=O)C4C.N35.S46 |
38391 | CN(C)C(=O)CSc1nnnn1-c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnnn14.c14ccccc1.C2(=O)C3.CN2C.S35 |
38392 | CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][S][Ring1][O] | c18c(C)n(C)c2ccc7cc12.C38=O.C45=O.CC6.O36.O47.O5C |
38394 | O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(F)cc1F | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.n15nnc6n1.c16ccccc1.O=C3C5.N34 |
38395 | CCC(Oc1ccccc1)C(=O)N1CC(C)OC(C)C1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | N12CC(C)OC(C)C1.CCC3C2=O.c14ccccc1.O34 |
38396 | NC(=O)C1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][S] | C16CCCN3C1.c15ccc(Cl)cc1.NC6=O.C34=O.N45 |
38398 | CCOC(=O)C1CCCN(C(=O)C2CCCO2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Ring1][=N] | C17CCCN4C1.C16CCCO1.C37=O.C46=O.CC5.O35 |
38401 | CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2][C] | c17cc(F)c5cc1C.N15CCN4CC1.c16ccco1.CC7=O.C46=O |
38402 | CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2n1C.c16ccc7cc1.C7(=O)C5.CC4=O.N46.S58 |
38403 | CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | c17cccc5c1.c18ccc6cc1.S4(C)(=O)=O.CC7=O.C38=O.N46C.N35 |
38404 | CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc(S5(=O)=O)cc1.c16cccc(F)c1.CC3.O34.N56 |
38405 | O=C(Nc1ccccc1)N1CCn2c1nc1ccccc12 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N14CCn2c1nc1ccccc12.c15ccccc1.O=C34.N35 |
38406 | O=C(CSc1ncccn1)Nc1ccc(Cl)cc1Cl | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c15ncccn1.O=C2C3.S35.N24 |
38407 | Cc1cccc2sc(NC(=O)CSc3ccccn3)nc12 | [C][C][=C][C][=C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=Ring1][S] | Cc1cccc2sc6nc12.c17ccccn1.C4(=O)C5.N46.S57 |
38408 | O=C(NCCc1ccncc1)Nc1ccc(Cl)c(Cl)c1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.c16ccncc1.O=C23.C4C6.N24.N35 |
38409 | O=C(CCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c14ccc6cc1.c15ccccc1.N16CCCC1=O.O=C3CC5.N34 |
38410 | Nc1cc(N)nc(SCC(=O)c2ccc(F)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Nc1cc(N)nc5n1.c14ccc(F)cc1.C3C4=O.S35 |
38411 | CCCC(=O)c1ccc(N2CCN(C(=O)C(C)C)CC2)c(F)c1 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][C][Branch1][C][F][=C][Ring2][Ring1][C] | c15ccc4c(F)c1.N14CCN3CC1.CCCC5=O.C3(=O)C(C)C |
38412 | COc1ccc(Cl)cc1-c1nc(-c2ccncc2)no1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c13ccc(Cl)cc14.c14nc5no1.c15ccncc1.CO3 |
38413 | CCC(CC)c1nnc(NC(=O)CSc2ccccc2)s1 | [C][C][C][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c16nnc5s1.c17ccccc1.CCC6CC.C3(=O)C4.N35.S47 |
38414 | CC(=O)c1cccc(-n2nnnc2SCC(N)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O][=C][Ring1][S] | c14cccc5c1.n15nnnc16.C3C(N)=O.CC4=O.S36 |
38415 | COc1ccc(Cl)cc1C(=O)Nc1ccccc1NC(C)=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] | c14ccc(Cl)cc17.c15ccccc16.C27=O.C3(C)=O.CO4.N25.N36 |
38416 | CN(c1ccccc1C(=O)Nc1ccccc1Cl)S(C)(=O)=O | [C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc16.c15ccccc1Cl.S3(C)(=O)=O.CN34.C26=O.N25 |
38417 | CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][C][=Branch1][C][=O][N][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][C][=C][Ring2][Ring1][Ring1] | c17ccc2c(c1)OCCO2.c16ccc8cc1.CC4=O.C58=O.N46.N57 |
38418 | CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 | [C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.CC5CC3=O.c15ccccc1.N34 |
38419 | COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C] | c13ccc(S4(=O)=O)cc1C.c15ccc6cc1.C6C#N.CO3.N45 |
38420 | Cc1ccc(SC(C)C(=O)Nc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c15cccnc1.C4(C)C3=O.S46.N35 |
38422 | CCOC(=O)c1ccccc1NC(=O)C1CCCO1 | [C][C][O][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.C27=O.C36=O.CC4.O24.N35 |
38423 | Cc1ccc(CNC(=O)CSc2ncccn2)cc1 | [C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.c17ncccn1.C3(=O)C5.C46.N34.S57 |
38424 | Cc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][=C][=N][Ring2][Ring1][#Branch1] | c17ccc(C)c(C)c1.Cc1cccc5n1.C16CC(=O)N7C1.C46=O.N45 |
38425 | COC(=O)C1=C(C)Nc2ncnn2C1c1ccccc1C(F)(F)F | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | C3(=O)C1=C(C)Nc2ncnn2C1c1ccccc14.C4(F)(F)F.CO3 |
38426 | CC(=O)NC(C)c1nc2ccccc2n1Cc1ccccc1Cl | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16nc2ccccc2n15.c17ccccc1Cl.CC3=O.C46C.N34.C57 |
38430 | COc1ccccc1NC(=O)CCSc1cccc2cccnc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccc2cccnc12.c14ccccc16.C3(=O)CC5.CO4.N36.S57 |
38431 | O=C(NCc1ccco1)c1ccc2c3c(cccc13)CC2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][=Branch2] | c16ccc2c3c(cccc13)CC2.c17ccco1.O=C46.N45.C57 |
38432 | Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(C)(C)C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] | Cc1cccc(C)c15.n15nnnc16.C4C2=O.C3(C)(C)C.S46.N23 |
38433 | CCn1cnc2cc(NC(=O)c3ccc(C)cc3)ccc21 | [C][C][N][C][=N][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | n17cnc2cc5ccc21.c16ccc(C)cc1.C46=O.CC7.N45 |
38434 | CCC(NC(=O)CCc1ccccc1)c1ccccc1 | [C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c14ccccc1.C2(=O)CC5.CCC34.N23 |
38435 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCO1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C][C][O][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.N14CCOCC1.C16CCCO1.O=C36.N35 |
38436 | O=C1OCCC1Sc1nc2ccccc2n1Cc1ccccc1 | [O][=C][O][C][C][C][Ring1][Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2n13.O=C1OCCC16.c14ccccc1.S56.C34 |
38438 | CCc1sc(NC(=O)C2CCCO2)nc1-c1ccccc1 | [C][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=N][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16sc4nc17.c17ccccc1.C15CCCO1.C35=O.CC6.N34 |
38439 | CN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O | [C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O] | c16ccc7cc1.c18ccco1.S5(C)(=O)=O.CN56.C37=O.N34.C48 |
38440 | COCc1cccc(NC(=O)CCc2ccccc2)c1 | [C][O][C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c16cccc5c1.c17ccccc1.C3(=O)CC7.CO4.C46.N35 |
38441 | CCOC(=O)CS(=O)(=O)c1ccc2ccccc2c1 | [C][C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | C3(=O)CS(=O)(=O)c1ccc2ccccc2c1.CC4.O34 |
38442 | Cc1ccc(S(=O)(=O)CCC(=O)N(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][S] | Cc1ccc(S(=O)(=O)CCC2=O)cc1.N2(C)C |
38443 | Cc1ccc(SC(C)C(=O)NCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c16ccncc1.C5(C)C3=O.S57.N34.C46 |
38444 | CCOC(=O)c1cc(NC(=O)Nc2ccccc2Cl)c(C)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][C] | c19cc7c(C)nc1C.c18ccccc1Cl.C39=O.C45=O.CC6.O36.N47.N58 |
38445 | CCC(C)NC(=O)c1ccccc1NC(=O)c1ccco1 | [C][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.CCC4C.C27=O.C36=O.N24.N35 |
38446 | COc1ccccc1C(=O)NCc1ccccc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c13ccccc15.c16ccccc1C.C25=O.CO3.N24.C46 |
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