smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CCCl)(CCCl)Cc1ccccc1 ZINC000100370229 717143295 /nfs/dbraw/zinc/14/32/95/717143295.db2.gz CIQSXZWTAAWJQY-UHFFFAOYSA-N 1 0 261.216 3.501 10 50 CHGERO