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)P(C1=CC=CC1)C(C)C ZINC000088466169 573121901 /nfs/dbraw/zinc/12/19/01/573121901.db2.gz OSPDRHWVZGIOJQ-UHFFFAOYSA-N 0 3 182.247 4.129 10 0 AIAEHN