smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000071954884 203154673 /nfs/dbraw/zinc/15/46/73/203154673.db2.gz LCZAENZBXLLTLY-INIZCTEOSA-N 1 1 339.439 4.581 20 5 EJBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cs1 ZINC000037562967 527331129 /nfs/dbraw/zinc/33/11/29/527331129.db2.gz LNCJGGQERRCOIF-LBPRGKRZSA-N 1 1 340.857 4.636 20 5 EJBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cs1 ZINC000037562966 527331714 /nfs/dbraw/zinc/33/17/14/527331714.db2.gz LNCJGGQERRCOIF-GFCCVEGCSA-N 1 1 340.857 4.636 20 5 EJBDMO