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)c1ccc(/C=C(\C#N)C(=O)OCC[N+]2(C)C=CC=C2)cc1 ZINC000141687298 717152466 /nfs/dbraw/zinc/15/24/66/717152466.db2.gz LKLNTXOIZIIOLC-KNTRCKAVSA-N 1 0 352.458 3.471 10 50 FGGERO