smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(=O)[O-] ZINC000014692536 560224560 /nfs/dbraw/zinc/22/45/60/560224560.db2.gz YILWWVUXGMGOAM-UHFFFAOYSA-N -2 0 420.419 -1.930 1 30 in-vitro HAEFRL