smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Br)c(CC(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000160788384 531817290 /nfs/dbraw/zinc/81/72/90/531817290.db2.gz LLLIXQLEJZLBKK-AWEZNQCLSA-N 0 1 395.257 2.027 10 70 GEIEMN COc1ccc(Br)c(CC(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000160788509 531815943 /nfs/dbraw/zinc/81/59/43/531815943.db2.gz LLLIXQLEJZLBKK-CQSZACIVSA-N 0 1 395.257 2.027 10 70 GEIEMN C[C@@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000160074277 531803960 /nfs/dbraw/zinc/80/39/60/531803960.db2.gz AZUHVCMWIZVHNA-WBMJQRKESA-N 0 1 379.302 2.478 10 70 GEIEMN C[C@H]1CN(Cc2nc3ccc(Br)cc3[nH]2)C[C@@H]1N1CCOCC1 ZINC000160074419 531804622 /nfs/dbraw/zinc/80/46/22/531804622.db2.gz AZUHVCMWIZVHNA-LRDDRELGSA-N 0 1 379.302 2.478 10 70 GEIEMN