smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1cccc(F)c1CN 71507371 167176928 /nfs/dbraw/zinc/17/69/28/167176928.db2.gz MJKOFJIJKBDALR-UHFFFAOYSA-N 0 3 196.269 2.131 30 0 AEACHN c1cc(CN2CCCCC2)ccn1 39234400 171077399 /nfs/dbraw/zinc/07/73/99/171077399.db2.gz GTPXCGRVFBUXQC-UHFFFAOYSA-N 0 3 176.263 2.068 30 0 AEACHN