smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)CC(=O)N1CCNCC1 82256811 325607063 /nfs/dbraw/zinc/60/70/63/325607063.db2.gz YAGLMUHGIJFXOR-UHFFFAOYSA-N 0 1 170.212 -0.603 30 0 ABACMN