ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
2298 | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c(C#N)c6n1.c15ccccc1.C4C3=O.S46.N35 |
2299 | Cc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=N][Ring2][Ring1][C] | c15cc(F)c(F)cc1Cl.Cc1cccc4n1.C35=O.N34 |
2300 | C=CCn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3 | [C][=C][C][N][C][Branch1][Ring1][S][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][O][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][O] | n14c5nc2sc3c(c2c1=O)CC(C)(C)OC3.C=CC4.S5C |
2302 | COc1ccc(C(=O)CC2OC(=O)c3c2ccc(OC)c3OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][#Branch1] | C7(=O)CC1OC(=O)c2c1ccc5c26.c14ccc7cc1.CO4.O5C.O6C |
2304 | CCOC(=O)c1ccc(NC(=O)C2CC23CCC3)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][=C][Ring1][#C] | c19ccc7cc1.C18CC12CCC2.C49=O.C58=O.CC6.O46.N57 |
2305 | CCc1ccc(NC(=O)CSc2ccccn2)cc1 | [C][C][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] | c16ccc5cc1.c17ccccn1.C3(=O)C4.CC6.N35.S47 |
2306 | COC(=O)CCC(=O)Nc1cc(OC)ccc1OC | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c16cc4ccc15.C2(=O)CCC3=O.CO2.N36.O4C.O5C |
2310 | Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1] | Cc1cc(C)c(C#N)c6n1.c15ccccc1C.C4C3=O.S46.N35 |
2311 | COc1ccccc1CNC(=O)COc1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccccc17.c15ccc(C)cc1.C2(=O)C3.CO4.C67.N26.O35 |
2312 | CC(=O)c1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c15ccc(C)c(C)c1.c17cccc6c1.C3(=O)C4.CC7=O.N36.O45 |
2315 | COC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N4C1=NS(=O)(=O)c2ccccc21.c15ccccc14.C35=O.CO3 |
2316 | COC(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 | [C][O][C][=Branch1][C][=O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c14nnc5c6n1.c15ccccc1.c16ccccc1.C34=O.CO3 |
2317 | Cc1ccc(N2CC(C(=O)NCC(C)O)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.N16CC5CC1=O.C4C(C)O.C35=O.N34 |
2318 | CCCC(=O)Nc1nnc(Cc2ccccc2)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | c14nnc5s1.c16ccccc1.CCCC3=O.N34.C56 |
2319 | CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][=C] | S6(=O)(=O)c1cccc8c1.c17nccs1.N456.C38=O.CC4.C5C.N37 |
2320 | Cc1ccc(S(=O)(=O)CCc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)CC3)cc1.c13ccncc1 |
2321 | Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccccc1.c16cccc5c1.Cc1nc6cs1.N45 |
2322 | O=C(Nc1nccs1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Cl)cc1.c14nccs1.O=C35.N34 |
2323 | Cc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc(C)o1 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | Cc1cc2c(c(=O)[nH]1)C(=O)OC2=3.C=3c1ccc(C)o1 |
2325 | CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N] | C2(=O)C1=C(C)N=C(C)C6C1.C36=O.CC4.O24.O35.C5C |
2327 | COCc1cc(C)nc(SCc2ccccc2F)c1C#N | [C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S][C][#N] | c15cc(C)nc7c1C#N.c16ccccc1F.CO3.C35.S47.C46 |
2328 | CC1CN(S(=O)(=O)c2ccccc2)C(C)CC1=O | [C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][=O] | CC1CN3C(C)CC1=O.S3(=O)(=O)c1ccccc1 |
2329 | CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | c16c(C)nc(C)c7c18.c18ccco1.C26=O.C37=O.CC4.O24.O35.C5C |
2330 | COC(=O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] | S4(=O)(=O)c1ccc(Cl)cc1.C2(=O)C3C(C)C.CO2.N34 |
2331 | Cc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1 | [C][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] | c16nc(C)cc(C)n1.Cc1ccc5cc1.C3(=O)C4.N35.S46 |
2332 | CCOC(=O)c1cnc2c(C(=O)OCC)cnn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=N][N][Ring1][#Branch2][C][=Ring1][=C][C] | c17cnc2c8cnn2c1C.C37=O.C48=O.CC5.O35.O46.C6C |
2333 | CC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C | [C][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Ring1][S][C] | c14cnc2cc5nn2c1C.c15ccc(C)cc1.CC4=O |
2337 | O=C(Nc1ccc(Br)cn1)c1cccs1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | c13ccc(Br)cn1.c14cccs1.O=C24.N23 |
2338 | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1ccco1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | C2(=O)C1=C(C)N=C(C)C4C15.c15ccco1.C34=O.CO2.O3C |
2339 | CCOC(=O)c1sc(C)c(C)c1NC(=O)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16sc(C)c(C)c15.c17ccccc1.C26=O.C37=O.CC4.O24.N35 |
2340 | Cc1cccc(C)c1NC(=O)CNc1ccccc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cccc(C)c14.c15ccccc1.C2(=O)C3.N24.N35 |
2341 | Cc1ccccc1NCC(=O)Nc1c(C)cccc1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c15c(C)cccc1C.Cc1ccccc14.C3C2=O.N34.N25 |
2342 | Cc1c(N(C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C] | Cc1c4c(=O)n5n1C.c15ccccc1.S3(C)(=O)=O.N34C |
2343 | CC(NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 | [C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CC(=O)N7C1.c17ccc(Cl)cc1.c16ccccc1.CC46.C35=O.N34 |
2344 | O=C1C=C(N(CCO)CCO)C2(CCCCC2)O1 | [O][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][P] | O=C1C=C(N34)C2(CCCCC2)O1.C3CO.C4CO |
2345 | COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1C#N | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c13ccc2c(c14)C(=O)OC2N5.c15ccccc1C#N.CO3.O4C |
2346 | CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 | [C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN3C1=NS(=O)(=O)c2ccccc21.c13ccccc1 |
2348 | COC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O | [C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#C][Ring1][O][O] | C15C(C)=NC2(O)c3ccccc3C(=O)C12O.C45=O.CO4 |
2349 | COc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] | n15c(C)nc2ccccc2c1=O.c14ccc5cc1.CO4 |
2350 | Cc1cc(C)c(S(N)(=O)=O)cc1S(N)(=O)=O | [C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][S][Branch1][C][N][=Branch1][C][=O][=O] | Cc1cc(C)c(S(N)(=O)=O)cc1S(N)(=O)=O |
2352 | COC(=O)c1c(C)[nH]c(C)c1-c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14c(C)[nH]c(C)c15.c15ccc3cc1.C24=O.CO2.O3C |
2355 | CC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c16cnc2ccccc2n1.c15ccc6cc1.CC4=O.O45 |
2356 | CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O | [C][C][N][Branch2][Ring1][=Branch2][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][S][Branch1][C][C][=Branch1][C][=O][=O] | c15c(C)n(C)n6c1=O.c16ccccc1.S4(C)(=O)=O.N345.CC3 |
2357 | Cc1ccc(-c2csc(NC(=O)c3ccco3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc7cc1.c17csc5n1.c16ccco1.C46=O.N45 |
2358 | Cc1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.C18CCCN15.C6(C)(C)C.C48=O.C35=O.N47.O36 |
2359 | Cc1cccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] | Cc1cccc7c1.C18CCCN15.C6(C)(C)C.C48=O.C35=O.N47.O36 |
2360 | COc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2o1.c15cccc7c1.C4(=O)C6.CO5.N47.S68 |
2361 | N#Cc1ccccc1NC(=O)CSc1nc2ccccc2o1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c16nc2ccccc2o1.N#Cc1ccccc15.C3(=O)C4.N35.S46 |
2362 | Cc1cc(C)nc(SCC(=O)NC(C)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc7n1.c16ccccc1.C5C3=O.C46C.S57.N34 |
2363 | O=C(Nc1ccccc1)OCn1c(=O)oc2cc(Cl)ccc21 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O] | n16c(=O)oc2cc(Cl)ccc21.c15ccccc1.O=C34.O3C6.N45 |
2364 | COc1ccc(C(=O)CSc2nc(C)cc(C)c2C#N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][=C][Ring2][Ring1][Ring2][O][C] | c17nc(C)cc(C)c1C#N.c13ccc6cc14.C6(=O)C5.CO3.S57.O4C |
2365 | Cc1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)cc1.c15cccc6c1.c16csc(C)n1.N45 |
2366 | CSc1nsc(SC)c1NC(=O)N1CCCCC1 | [C][S][C][=N][S][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15nsc6c14.N13CCCCC1.C23=O.CS5.S6C.N24 |
2367 | CC(C)CC(=O)Nc1ccc(Br)cn1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c13ccc(Br)cn1.CC(C)CC2=O.N23 |
2368 | Cc1n[nH]c(SCC(=O)Nc2ccc(Br)cn2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][=N][Ring1][P] | c15ccc(Br)cn1.Cc1n[nH]c6n1.C4C3=O.S46.N35 |
2369 | COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1 | [C][O][C][=N][C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=N][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][C] | c13nc4nc5n1.c16ccc7cc1.C7(C)=O.CO3.N56.O4C |
2370 | Cn1c2ccccc2c2nnc(SC3CCCCC3=O)nc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][O][S][C][C][C][C][C][C][Ring1][=Branch1][=O][N][=C][Ring1][=C][Ring2][Ring1][Branch1] | Cn1c2ccccc2c2nnc4nc21.C15CCCCC1=O.S45 |
2371 | Nn1cnn2c(SCC(=O)Nc3ccccn3)nnc12 | [N][N][C][=N][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][Ring1][Ring1][S] | Nn1cnn2c7nnc12.c16ccccn1.C5C4=O.S57.N46 |
2372 | O=C(CSc1nnc2[nH]cnn12)Nc1ccccn1 | [O][=C][Branch1][#C][C][S][C][=N][N][=C][NH1][C][=N][N][Ring1][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nnc2[nH]cnn12.c15ccccn1.O=C3C4.S46.N35 |
2373 | CCC1CCCCN1C(=O)c1cc2ccccc2oc1=O | [C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O] | c14cc2ccccc2oc1=O.C15CCCCN13.C34=O.CC5 |
2374 | COc1ccc2oc(=O)c(C(=O)OCc3ccccc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2oc(=O)c7cc2c1.c18ccccc1.C47=O.CO6.O45.C58 |
2375 | Cc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][Ring2][Ring1][Ring1] | c15ccc6cc1.Cc1nnc7s1.C4C3=O.C6(C)C.S47.N35 |
2376 | O=C(CSc1nnc(-c2ccco2)o1)NCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8o1.c16ccccc1.c18ccco1.O=C3C5.S57.N34.C46 |
2377 | CCOC(=O)c1c(C)nn(CC2CCCCC2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][=N][N] | c15c(C)nn6c1N.C17CCCCC1.C35=O.CC4.O34.C67 |
2378 | CCOC(=O)c1cnn(CC2CCCCC2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][N][N] | c15cnn6c1N.C17CCCCC1.C35=O.CC4.O34.C67 |
2379 | N#Cc1c(-c2ccc(Cl)cc2)cc(C2CC2)nc1SCC(N)=O | [N][#C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][S][S][C][C][Branch1][C][N][=O] | N#Cc1c6cc5nc14.c16ccc(Cl)cc1.C3C(N)=O.C15CC1.S34 |
2380 | CCOC(=O)COc1ccc(Br)cc1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.C2(=O)C4.CC3.O23.O45 |
2381 | COc1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c17c(C)cccc1C.c15ccc6cc1.C4C3=O.CO5.O46.N37 |
2382 | Cc1ccc(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.C18CC(O)CN15.C6(C)(C)C.C48=O.C35=O.N47.O36 |
2383 | CCOC(=O)c1cnn(Cc2cccc(Cl)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][=N][C] | c15cnn6c1C.c17cccc(Cl)c1.C35=O.CC4.O34.C67 |
2384 | O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccccn1 | [O][=C][Branch2][Ring1][Branch2][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nnc2c(n1)[nH]c1ccccc12.c15ccccn1.O=C3C4.S46.N35 |
2385 | Cc1cc(C)nc(SCC(=O)c2nonc2C)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][C][=N][Ring1][P] | Cc1cc(C)nc5n1.c14nonc1C.C3C4=O.S35 |
2386 | CCN(CC)c1nc2nonc2nc1N(CC)CC | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][Branch1][Ring1][C][C][C][C] | c17nc2nonc2nc18.N347.N568.CC3.C4C.C5C.C6C |
2387 | COc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc8cc17.c19ccc5c6c1.c18nnc9o1.CO4.O5C.O6C.O7C |
2388 | O=C(CC1CCOCC1)Nc1ccc(Cl)cc1 | [O][=C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccc(Cl)cc1.C14CCOCC1.O=C2C4.N23 |
2389 | COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2o1.c18ccc7cc1.C5(=O)C6.C48=O.CO4.N57.S69 |
2392 | O=C(Nc1ccccc1)C1CC(O)CN1C(=O)Oc1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C17CC(O)CN14.c16ccccc1.c15ccccc1.O=C37.C24=O.N36.O25 |
2393 | COC(=O)c1ccc(NC(=O)Cn2ccnc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc5cc1.n17ccnc1.C4(=O)C7.C36=O.CO3.N45 |
2397 | N#Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.N#Cc1ccccc13.N23 |
2399 | COc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16c[nH]c(=O)[nH]c1=O.C37=O.CO4.N36.O5C |
2400 | CSc1nsc(SC)c1NC(=O)Nc1ccccn1 | [C][S][C][=N][S][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16nsc7c15.c14ccccn1.C23=O.CS6.S7C.N25.N34 |
2401 | Cc1cc(NC(=O)CSc2nc3ccccc3s2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring1] | c17nc2ccccc2s1.Cc1cc6no1.C4(=O)C5.N46.S57 |
2402 | O=C(COC(=O)c1cc2ccccc2o1)c1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc2ccccc2o1.c16ccccc1.O=C6C4.C35=O.O34 |
2403 | COc1ccc(C(=O)Nc2nnc(-c3cccc(C)c3)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc8cc16.c19cccc(C)c1.c17nnc9o1.C48=O.CO5.N47.O6C |
2404 | O=C(NCCN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][C][N][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | N16Cc2ccccc2C1=O.c15ccc(Cl)cc1.O=C35.C4C6.N34 |
2405 | O=S(=O)(c1ccc(F)cc1)n1cnc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=S(=O)(c1ccc(F)cc1)n1cnc2ccccc21 |
2406 | COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc(S(=O)(=O)n2cnc3ccccc32)cc15.CO4.O5C |
2409 | CNC(=O)C1CC(O)CN1C(=O)Oc1ccccc1 | [C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CC(O)CN14.c15ccccc1.C36=O.C24=O.CN3.O25 |
2411 | Cc1nnc(NC(=O)c2cc3ccccc3o2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][Ring1][P] | c16cc2ccccc2o1.Cc1nnc5s1.C46=O.N45 |
2412 | Nc1ccc2nc(SCC(=O)NCc3ccco3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Nc1ccc2nc8sc2c1.c17ccco1.C6C4=O.S68.N45.C57 |
2413 | CCOC(=O)c1[nH]c(C)c(C(=O)CC(C)(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=N][C] | c14[nH]c(C)c5c1C.C5(=O)CC(C)(C)C.C24=O.CC3.O23 |
2414 | COc1ccc(OC)c(C(=O)c2oc3ccccc3c2NC(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][Branch1][C][C][=O][=C][Ring2][Ring1][#Branch1] | c18oc2ccccc2c17.c15ccc6c9c1.C89=O.C4(C)=O.CO5.O6C.N47 |
2415 | CCc1nnc(-n2nc(C)cc2-c2ccccc2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][N] | c13nnc4n1N.n14nc(C)cc15.c15ccccc1.CC3 |
2416 | CCC(C)(C(=O)Nc1cccc(C)c1)N1CCC1=O | [C][C][C][Branch1][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring2][=O] | CCC4(C)C2=O.c13cccc(C)c1.N14CCC1=O.N23 |
2417 | O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccn1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15ccc2ccc(=O)oc2c1.c16ccccn1.O=C3C4.O45.N36 |
2418 | CCc1nnc(NC(=O)c2cc3ccccc3o2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][S][Ring1][P] | c16cc2ccccc2o1.c17nnc5s1.C46=O.CC7.N45 |
2420 | CC(=O)C(C)(C)OC(=O)Nc1nc2ccccc2s1 | [C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.CC(=O)C5(C)C.C34=O.O35.N46 |
2421 | Cc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][O][Ring2][Ring1][#Branch1] | c17nnc2c(n1)[nH]c1ccccc12.Cc1cc6no1.C4(=O)C5.N46.S57 |
2422 | Cc1ccnc(NC(=O)CSc2nc(C)cc(C)n2)c1 | [C][C][=C][C][=N][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][Ring2][Ring1][Ring1] | c16nc(C)cc(C)n1.Cc1ccnc5c1.C3(=O)C4.N35.S46 |
2423 | CCc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.c18nnc7s1.C4(=O)C5.CC8.N47.O56 |
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