smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCCN1CCCCCC1)c1c2ccccc2cc2ccccc21 ZINC000013864173 211654293 /nfs/dbraw/zinc/65/42/93/211654293.db2.gz MQDXNIHPOZYBGO-UHFFFAOYSA-N 0 3 347.458 5.026 10 5 EKBEHN