smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCOC(=O)CCC(=O)OCC[N+]2(C)CCCCCC2)CCCCCC1 ZINC000004977200 570656011 /nfs/dbraw/zinc/65/60/11/570656011.db2.gz DKDIJQIAYCHWRJ-UHFFFAOYSA-N 2 0 398.588 2.894 40 5 GFBBRP