smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1C=CC(=Cc2ccc3cc(C)ccc3[n+]2C)C=C1 ZINC000000188589 567929610 /nfs/dbraw/zinc/92/96/10/567929610.db2.gz YUJVIRJJKKWYRP-UHFFFAOYSA-N 2 2 277.391 3.719 40 10 CHCBLP