smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CCC(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000106245446 495439631 /nfs/dbraw/zinc/43/96/31/495439631.db2.gz ZOTRMASCPCGUNG-UHFFFAOYSA-N 2 3 357.542 3.291 20 30 FGEDHP