smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1csc2cc(Cl)ccc12 111910909 574028801 /nfs/dbraw/zinc/02/88/01/574028801.db2.gz ROGQSTZZGZUPOA-UHFFFAOYSA-N 0 2 184.647 3.260 10 10 AGCELN CCC1Sc2ccccc2C1=O 144427237 573588108 /nfs/dbraw/zinc/58/81/08/573588108.db2.gz WSVDELARIKGPGR-UHFFFAOYSA-N 0 2 178.256 3.169 10 10 AGCELN