smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCN(c3ncccn3)CC2)CC1 ZINC000020465087 575367366 /nfs/dbraw/zinc/36/73/66/575367366.db2.gz NCUSSDQVFXIDOX-YDZRNGNQSA-N 2 1 406.531 -1.228 40 0 biogenic,in-vitro HAABMP