smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=CC[C@@H]2[C@H](C1)C2(C(=O)[O-])C(=O)O 95099142 560062644 /nfs/dbraw/zinc/06/26/44/560062644.db2.gz XADPDVMQMMJJHT-RQJHMYQMSA-N -1 2 196.202 1.128 1 0 biogenic,in-vitro ADAFLM