smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2oc(/C=N\NC(=O)C[N+](C)(C)C)c([N+](=O)[O-])c2-c2cc(Br)c(O)c(OC)c2)cc(Br)c1O ZINC000150574781 717154242 /nfs/dbraw/zinc/15/42/42/717154242.db2.gz FNPSLLWPCNRMJX-UHFFFAOYSA-O 1 1 657.292 4.632 50 50 KJGAMO