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)c1ccc(C(C)C)c(/N=N/c2ccc(C(=O)[O-])cc2)c1 ZINC000040465232 183071834 /nfs/dbraw/zinc/07/18/34/183071834.db2.gz LVGBSHUSUKCJGR-QZQOTICOSA-N -1 0 310.397 6.047 1 10 DKCFRM