smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@@H]1CCCN1C(=O)[O-] 217671020 583490551 /nfs/dbraw/zinc/49/05/51/583490551.db2.gz NYFCFNAKZKCSQH-VIFPVBQESA-N -1 0 185.267 2.565 20 70 AFIDRM