smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC/C=C/C[C@H](CC(=O)[O-])C(=O)[O-] ZINC000044280762 175158691 /nfs/dbraw/zinc/15/86/91/175158691.db2.gz VAHSVKWHLFZJMH-PLSXKVAHSA-N -2 0 284.396 4.249 10 30 CIEERL CCCCCCCCC/C=C/C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000044280759 175158889 /nfs/dbraw/zinc/15/88/89/175158889.db2.gz VAHSVKWHLFZJMH-VNDWYCCKSA-N -2 0 284.396 4.249 10 30 CIEERL