smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCn1cc(C[NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 ZINC000101345274 222270228 /nfs/dbraw/zinc/27/02/28/222270228.db2.gz GOWXONIFDQHALJ-ZDVFKUJDSA-N 1 2 372.466 -1.085 1 30 FAEFLO