smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(OCCCC[NH+]2CC[N+]3(CCCC3)CC2)cc1 ZINC000029322075 717118583 /nfs/dbraw/zinc/11/85/83/717118583.db2.gz NFTXUEAXEVMXMI-UHFFFAOYSA-N 2 1 289.443 2.772 1 5 CFBFMP