ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931280 | Cc1cn(-c2cccc(Br)c2)c(=O)[nH]1 | [C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=N] | Cc1cn3c(=O)[nH]1.c13cccc(Br)c1 |
1931281 | Cc1c[nH]c(=O)n1-c1ccc(Br)cc1 | [C][C][=C][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1c[nH]c(=O)n12.c12ccc(Br)cc1 |
1931282 | Fc1ccc(-c2cnncc2Br)cc1 | [F][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N] | Fc1ccc3cc1.c13cnncc1Br |
1931283 | O=C1Nc2ccc(Cl)cc2NC2COCCC12 | [O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][O][C][C][C][Ring1][S][Ring1][=Branch1] | O=C1Nc2ccc(Cl)cc2NC2COCCC12 |
1931284 | Brc1c[nH]c2cc3c(cc12)CCCO3 | [Br][C][=C][NH1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][C][O][Ring1][Branch2] | Brc1c[nH]c2cc3c(cc12)CCCO3 |
1931285 | Nc1nonc1-c1ccc2c(c1)S(=O)(=O)CC2 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2] | c13ccc2c(c1)S(=O)(=O)CC2.Nc1nonc13 |
1931286 | CS(=O)(=O)c1coc(C(=O)c2cccnc2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][O][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=N] | CS(=O)(=O)c1coc3c1.c14cccnc1.C34=O |
1931287 | Nc1ccc(Br)c2[nH]c3c(c12)CCC3 | [N][C][=C][C][=C][Branch1][C][Br][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1] | Nc1ccc(Br)c2[nH]c3c(c12)CCC3 |
1931288 | Cc1cc(Br)c2nc(CC#N)oc2c1 | [C][C][=C][C][Branch1][C][Br][=C][N][=C][Branch1][Ring2][C][C][#N][O][C][Ring1][Branch2][=C][Ring1][=N] | Cc1cc(Br)c2nc3oc2c1.C3C#N |
1931289 | CC(=O)c1cc2c(s1)C1(CCC2)CCOCC1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][=Branch1][C][C][C][Ring1][#Branch1][C][C][O][C][C][Ring1][=Branch2] | c13cc2c(s1)C1(CCC2)CCOCC1.CC3=O |
1931290 | Nc1cnncc1-c1ccc(Br)cc1 | [N][C][=C][N][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Nc1cnncc12.c12ccc(Br)cc1 |
1931291 | CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccccc1O | [C][N][Branch2][Ring1][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c15ccccc1O.c17cnn8c1.c18ccccc1.C3(=O)C4.CN36.C67.O45 |
1931292 | O=C(NCCO)c1sc(-c2ccccc2)nc1-c1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15sc6nc17.c16ccccc1.c17ccccc1.O=C35.C4CO.N34 |
1931293 | CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(O)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | N13C=Cc2ccccc2C1CC4=O.c15cccc(O)c1.CC3=O.N45 |
1931294 | CCC1c2ccsc2CCN1C(=O)COc1ccccc1O | [C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | CCC1c2ccsc2CCN13.c15ccccc1O.C3(=O)C4.O45 |
1931295 | CC(C)c1nnc(NC(=O)COc2ccccc2O)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][Ring1][P] | c15ccccc1O.c17nnc6s1.C3(=O)C4.CC7C.N36.O45 |
1931296 | CC(=O)N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][Ring1] | N13CCN5CC1.N17CCCC1=O.C5C4=O.C6CC7.CC3=O.N46 |
1931297 | Cc1cc(C(=O)CN(C)Cc2ccsc2)c(C)n1CC(F)(F)F | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][Branch1][C][C][N][Ring1][P][C][C][Branch1][C][F][Branch1][C][F][F] | Cc1cc5c(C)n16.c17ccsc1.C6C(F)(F)F.C5(=O)C3.N34C.C47 |
1931299 | CCNC(=O)N1CCN(CC(=O)Nc2ccccc2C(C)C)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1] | N14CCN7CC1.c18ccccc19.C7C5=O.C34=O.C9(C)C.CC6.N36.N58 |
1931300 | CCNC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | N14CCN9CC1.c1%10ccc7cc1.C9C5=O.C34=O.CC8.N38.N5%10.O67.C6C |
1931301 | CCNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][P] | N14CCN7CC1.c18ccccc1F.C7C5=O.C34=O.CC6.N36.N58 |
1931302 | CCNC(=O)N1CCN(C(C)c2nnc(-c3ccc(C)cc3)o2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][C][Ring2][Ring1][Ring2] | N15CCN7CC1.c19ccc(C)cc1.c18nnc9o1.C45=O.C78C.CC6.N46 |
1931303 | CCNC(=O)N1CCN(C(C)C(=O)Nc2c(C)cccc2C)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring1] | c18c(C)cccc1C.N14CCN7CC1.C7(C)C5=O.C34=O.CC6.N36.N58 |
1931304 | CCNC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C(C)=O)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][C][Ring2][Ring1][Ring2] | N14CCN7CC1.c18ccccc19.C7(C)C5=O.C34=O.C9(C)=O.CC6.N36.N58 |
1931306 | CCNC(=O)N1CCN(C(C)C(=O)Nc2c(C)cc(C)cc2C)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][Ring2] | c18c(C)cc(C)cc1C.N14CCN7CC1.C7(C)C5=O.C34=O.CC6.N36.N58 |
1931307 | CCNC(=O)N1CCN(CC(=O)NC(C)c2cccs2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][P] | N14CCN7CC1.c19cccs1.C7C5=O.C34=O.C89C.CC6.N36.N58 |
1931308 | CCNC(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c18ncnc2sc3c(c12)CCC3.N16CCN8CC1.C56=O.CC7.N57 |
1931309 | CCNC(=O)N1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | c18nc(C)nc2sc3c(c12)CCC3.N16CCN8CC1.C56=O.CC7.N57 |
1931310 | Cc1nc(C(=O)N(C)Cc2cccnc2)nn1-c1ccc(Cl)cc1 | [C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5nn17.c17ccc(Cl)cc1.c16cccnc1.C35=O.N34C.C46 |
1931311 | CC(NC(=O)Cc1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(C)(=O)=O)cc1.c15ccc(O)cc1.C2(=O)C5.CC34.N23 |
1931312 | O=C(COc1ccccc1O)NC1CCSc2ccc(F)cc21 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O] | N3C1CCSc2ccc(F)cc21.c15ccccc1O.O=C3C4.O45 |
1931313 | O=C(Cc1ccc(O)cc1)NC1CCSc2ccc(F)cc21 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O] | N3C1CCSc2ccc(F)cc21.c14ccc(O)cc1.O=C3C4 |
1931314 | CCN(Cc1cc(C(=O)OC)c(C)o1)c1ccccc1 | [C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc6c(C)o1.c15ccccc1.N345.C26=O.CC3.C47.O2C |
1931315 | Cc1cccc(C)c1OS(=O)(=O)c1c(C)nn(C)c1C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | O2S(=O)(=O)c1c(C)nn(C)c1C.Cc1cccc(C)c12 |
1931316 | Cc1nn(C)c(C)c1S(=O)(=O)Oc1cccc(C(C)(C)C)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2] | Cc1nn(C)c(C)c1S(=O)(=O)O2.c12cccc3c1.C3(C)(C)C |
1931317 | CC(NS(=O)(=O)c1ccc2c(c1)CCO2)c1nnc2ccccn12 | [C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)CCO2.c15nnc2ccccn12.CC35.N34 |
1931318 | CCNC(=O)N1CCN(C(C)C(=O)N2CCCc3ccccc32)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | N16CCCc2ccccc21.N15CCN8CC1.C8(C)C6=O.C45=O.CC7.N47 |
1931319 | Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1Cc1ccccc1 | [C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc5c(C)n16.c14cccc(O)c1.c17ccccc1.C35=O.N34.C67 |
1931320 | O=C(NCCCO)c1ccc(-n2cnc3ccccc32)cc1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C] | n17cnc2ccccc21.c16ccc7cc1.C5CCO.O=C46.N45 |
1931321 | CCN(CCO)C(=O)c1ccc(-n2cnc3ccccc32)cc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C] | n18cnc2ccccc21.c17ccc8cc1.N456.C6CO.C47=O.CC5 |
1931322 | CC(O)CNC(=O)c1ccc(-n2cnc3ccccc32)cc1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C] | n17cnc2ccccc21.c16ccc7cc1.CC(O)C5.C46=O.N45 |
1931323 | O=C(Cn1ccc(=O)[nH]c1=O)Nc1nc(-c2ccc(F)cc2)cs1 | [O][=C][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | n15ccc(=O)[nH]c1=O.c16ccc(F)cc1.c14nc6cs1.O=C3C5.N34 |
1931324 | CC(C)(CNC(=O)Cc1ccc(O)cc1)N1CCOCC1 | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(O)cc1.N13CCOCC1.CC3(C)C4.C2(=O)C5.N24 |
1931325 | COc1ccc(OC)c(CC(=O)NCC(C)(C)N2CCOCC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c14ccc5c8c1.N17CCOCC1.C6C7(C)C.C8C3=O.CO4.O5C.N36 |
1931326 | CCNC(=O)CNC(=O)C1(c2cccc(F)c2)CCCC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18cccc(F)c1.C178CCCC1.C3(=O)C6.C47=O.CC5.N35.N46 |
1931328 | N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(O)cc1 | [N][#C][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c16ccc(O)cc1.N15CCOCC1.N#CCC3.C2(=O)C6.N234.C4C5 |
1931329 | Cc1cccc(NCC(=O)N(C)Cc2ccc(C)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cccc6c1.c17ccc(C)o1.C4C3=O.N35C.N46.C57 |
1931330 | Cc1ccc(CN(C)C(=O)CNc2ccc(Cl)c(Cl)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring2][Ring1][Ring2] | c16ccc(Cl)c(Cl)c1.Cc1ccc7o1.C3(=O)C5.N34C.C47.N56 |
1931331 | Cc1ccc(CN(C)C(=O)CNc2cc(Cl)ccc2Cl)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring2] | c16cc(Cl)ccc1Cl.Cc1ccc7o1.C3(=O)C5.N34C.C47.N56 |
1931332 | NC(=O)C1CCCN(C(=O)CNc2ccc3ccccc3c2)C1 | [N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.C17CCCN4C1.C4(=O)C5.NC7=O.N56 |
1931335 | Cc1ccc(CN(C)C(=O)CNc2cc(Cl)cc(Cl)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring2][Ring1][Ring2] | c16cc(Cl)cc(Cl)c1.Cc1ccc7o1.C3(=O)C5.N34C.C47.N56 |
1931336 | Cc1ccc(CN(C)C(=O)CNc2cccc(Cl)c2Cl)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring2] | c16cccc(Cl)c1Cl.Cc1ccc7o1.C3(=O)C5.N34C.C47.N56 |
1931337 | CSc1ccccc1NCC(=O)N(C)Cc1ccco1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1] | c17ccccc15.c16ccco1.C3C2=O.N24C.CS7.N35.C46 |
1931338 | CCN(CC(=O)N(C)Cc1ccc(C)o1)c1ccccc1C | [C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16ccccc1C.c17ccc(C)o1.C4C2=O.N346.N25C.CC3.C57 |
1931340 | N#CCCN(Cc1ccco1)Cc1nc(-c2ccccc2)no1 | [N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c17nc8no1.c18ccccc1.c16ccco1.N#CCC3.N345.C46.C57 |
1931341 | N#CCCN(Cc1cn2cc(Cl)ccc2n1)Cc1ccco1 | [N][#C][C][C][N][Branch2][Ring1][C][C][C][=C][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1] | c16cn2cc(Cl)ccc2n1.c17ccco1.N#CCC3.N345.C46.C57 |
1931344 | O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCO | [O][=C][Branch2][Ring1][O][C][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][N][C][C][O] | c16ccc(S5(=O)=O)cc1.O=C3CC6.N15CCCC1.C4CO.N34 |
1931345 | CC(C)c1cc(C(=O)NCCO)c2ccccc2n1 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S] | c16cc5c2ccccc2n1.CC6C.C35=O.C4CO.N34 |
1931346 | O=C(Nc1cccc(O)c1)c1ccc(-n2cncn2)cc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c14cccc(O)c1.c15ccc6cc1.n16cncn1.O=C35.N34 |
1931347 | O=C(OCC(=O)N1CCCCCC1)C1CCCC1 | [O][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1] | N13CCCCCC1.C15CCCC1.C4C3=O.O=C25.O24 |
1931348 | CC(=O)c1sc(CCN(C)Cc2ccccc2)cc1N | [C][C][=Branch1][C][=O][C][S][C][Branch1][S][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][S][N] | c15sc6cc1N.c17ccccc1.CC5=O.C6C3.N34C.C47 |
1931349 | Cc1nccnc1C1NCCCC1NC(=O)OC(C)(C)C | [C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | Cc1nccnc16.C16NCCCC15.C4(C)(C)C.C23=O.N35.O24 |
1931350 | Nc1cc2ncc(-c3ccc(Br)cc3)cn2n1 | [N][C][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][N][Ring1][=N][N][=Ring1][S] | Nc1cc2ncc4cn2n1.c14ccc(Br)cc1 |
1931351 | Nc1cc2ncc(-c3ccccc3Br)cn2n1 | [N][C][C][=C][N][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][N][Ring1][=N][N][=Ring1][S] | Nc1cc2ncc4cn2n1.c14ccccc1Br |
1931352 | Nc1cc2ncc(-c3cccc(Br)c3)cn2n1 | [N][C][C][=C][N][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][N][Ring1][=N][N][=Ring1][S] | Nc1cc2ncc4cn2n1.c14cccc(Br)c1 |
1931353 | Cn1nnc2c(Br)cc(-c3ccncc3)cc21 | [C][N][N][=N][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][Ring1][S] | Cn1nnc2c(Br)cc4cc21.c14ccncc1 |
1931354 | Cn1nnc2c(Br)cc(-c3cccnc3)cc21 | [C][N][N][=N][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][Ring1][S] | Cn1nnc2c(Br)cc4cc21.c14cccnc1 |
1931355 | Nc1c(-c2ccc(Br)cc2)nn2ccncc12 | [N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][C][=C][N][=C][C][=Ring1][S][Ring1][=Branch1] | Nc1c3nn2ccncc12.c13ccc(Br)cc1 |
1931356 | Nc1nccn2nc(-c3ccc(Br)cc3)cc12 | [N][C][=N][C][=C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S][Ring1][N] | Nc1nccn2nc4cc12.c14ccc(Br)cc1 |
1931357 | Nc1ccc2[nH]nc(-c3ccccc3Br)c2c1 | [N][C][=C][C][=C][NH1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][N][=C][Ring1][S] | Nc1ccc2[nH]nc4c2c1.c14ccccc1Br |
1931358 | Cn1ccc2cc(-c3cnncc3Br)ccc21 | [C][N][C][=C][C][=C][C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][=C][C][=C][Ring1][=N][Ring1][S] | Cn1ccc2cc4ccc21.c14cnncc1Br |
1931359 | Cc1c[nH]c2ccc(-c3cnncc3Br)cc12 | [C][C][=C][NH1][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S][Ring1][=N] | Cc1c[nH]c2ccc4cc12.c14cnncc1Br |
1931360 | Nc1ccc2c(-c3ccccc3Br)n[nH]c2c1 | [N][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][NH1][C][Ring1][N][=C][Ring1][S] | Nc1ccc2c4n[nH]c2c1.c14ccccc1Br |
1931362 | Cc1nn2cc(-c3ccccc3)cnc2c1Br | [C][C][=N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Ring1][N][=C][Ring1][#C][Br] | Cc1nn2cc4cnc2c1Br.c14ccccc1 |
1931363 | Cc1cc2ncc(-c3ccccc3Br)cn2n1 | [C][C][C][=C][N][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][N][Ring1][=N][N][=Ring1][S] | Cc1cc2ncc4cn2n1.c14ccccc1Br |
1931364 | Fc1ccc(-c2cnncc2Br)cc1Cl | [F][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N][Cl] | Fc1ccc3cc1Cl.c13cnncc1Br |
1931365 | COc1c(Br)c2c(c3c1CCO3)C(=O)OC2 | [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][#Branch2][C][=C][Ring1][#Branch1][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][O] | c14c(Br)c2c(c3c1CCO3)C(=O)OC2.CO4 |
1931366 | Cc1cc(-c2cnncc2Br)ccc1Cl | [C][C][=C][C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][=C][C][=C][Ring1][=N][Cl] | Cc1cc3ccc1Cl.c13cnncc1Br |
1931367 | O=C1OC(CC2CC2)c2ccc(O)c(Br)c21 | [O][=C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][#C] | O=C1OC(C3)c2ccc(O)c(Br)c21.C13CC1 |
1931368 | CCC1OC(=O)c2c3c(cc(Br)c21)CCO3 | [C][C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][O][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Ring1][O][C][C][O][Ring1][=Branch2] | CCC1OC(=O)c2c3c(cc(Br)c21)CCO3 |
1931369 | COc1ccc(F)cc1-c1cnncc1Br | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=N][C][=C][Ring1][=Branch1][Br] | c12ccc(F)cc13.c13cnncc1Br.CO2 |
1931370 | COc1ccc(-c2cnncc2Br)cc1F | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N][F] | c13ccc4cc1F.c14cnncc1Br.CO3 |
1931371 | Nc1ccc2c(c1Br)C(CC1CC1)OC2=O | [N][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][O][C][Ring1][O][=O] | Nc1ccc2c(c1Br)C(C3)OC2=O.C13CC1 |
1931372 | CC(=O)C(C)c1nc2c(Br)cc(C)cc2o1 | [C][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][Branch1][C][Br][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][Ring1][O] | c13nc2c(Br)cc(C)cc2o1.CC(=O)C3C |
1931373 | CCc1[nH]c(=O)n(-c2ccccc2Br)c1C | [C][C][C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][=N][C] | c13[nH]c(=O)n4c1C.c14ccccc1Br.CC3 |
1931374 | CC(C)c1cn(-c2ccc(Br)cc2)c(=O)[nH]1 | [C][C][Branch1][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][=N] | c13cn4c(=O)[nH]1.c14ccc(Br)cc1.CC3C |
1931375 | CCc1[nH]c(=O)n(-c2ccc(Br)cc2)c1C | [C][C][C][NH1][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][=N][C] | c13[nH]c(=O)n4c1C.c14ccc(Br)cc1.CC3 |
1931376 | Brc1ccn2nc(-c3cncs3)ncc12 | [Br][C][C][=C][N][N][=C][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][N][=C][C][=Ring1][=C][Ring1][O] | Brc1ccn2nc4ncc12.c14cncs1 |
1931377 | Brc1cccc2oc(-c3ncns3)cc12 | [Br][C][=C][C][=C][C][O][C][Branch1][Branch2][C][=N][C][=N][S][Ring1][Branch1][=C][C][Ring1][=C][=Ring1][#Branch2] | Brc1cccc2oc4cc12.c14ncns1 |
1931378 | CC(=O)c1c[nH]c(=O)n1-c1cccc(Br)c1 | [C][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c12c[nH]c(=O)n13.c13cccc(Br)c1.CC2=O |
1931380 | COc1ccc(-c2cnncc2N)cc1Br | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][N][C][=C][Ring1][=N][Br] | c13ccc4cc1Br.c14cnncc1N.CO3 |
1931381 | COc1ccc(Br)cc1-c1cnncc1N | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][=N][C][=C][Ring1][=Branch1][N] | c12ccc(Br)cc13.c13cnncc1N.CO2 |
1931382 | Brc1cc2[nH]c3c(c2c2c1OCC2)COC3 | [Br][C][=C][C][NH1][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][O][C][C][Ring1][Branch1][C][O][C][Ring1][O] | Brc1cc2[nH]c3c(c2c2c1OCC2)COC3 |
1931383 | Cc1nnc(-c2ncc3c(Br)ccn3n2)o1 | [C][C][=N][N][=C][Branch1][P][C][N][=C][C][=C][Branch1][C][Br][C][=C][N][Ring1][=Branch1][N][=Ring1][#Branch2][O][Ring1][#C] | c14ncc2c(Br)ccn2n1.Cc1nnc4o1 |
1931385 | CCn1c2c(c3c(N)ccc(Br)c31)CCC2 | [C][C][N][C][=C][Branch1][P][C][=C][Branch1][C][N][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][O][C][C][C][Ring1][=N] | n14c2c(c3c(N)ccc(Br)c31)CCC2.CC4 |
1931386 | Nc1cc(Br)cc2c1CC(c1cocn1)C2 | [N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][Branch1][Branch2][C][=C][O][C][=N][Ring1][Branch1][C][Ring1][#Branch2] | Nc1cc(Br)cc2c1CC3C2.c13cocn1 |
1931387 | COc1ccc(C)cc1-c1cnncc1Br | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][N][=N][C][=C][Ring1][=Branch1][Br] | c12ccc(C)cc13.c13cnncc1Br.CO2 |
1931388 | CCOc1ccc(-c2cnncc2Br)cc1 | [C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N] | c14ccc5cc1.c15cnncc1Br.CC3.O34 |
1931389 | COc1ccc(-c2cnncc2Br)cc1C | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][N][=N][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=N][C] | c13ccc4cc1C.c14cnncc1Br.CO3 |
1931390 | COc1ccc(C(=O)OC(C)c2ccccc2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P] | c15ccc6cn1.c17ccccc1.C36=O.C47C.CO5.O34 |
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