smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=[NH+][C@@H](CC2=NCC(CCC(=O)[O-])=C2CC(=O)[O-])C(CCC(=O)[O-])=C1CC(=O)[O-] ZINC000003872323 560190980 /nfs/dbraw/zinc/19/09/80/560190980.db2.gz PIVMSLFNTMAVDI-INIZCTEOSA-N -3 2 420.418 1.946 1 0 in-vitro HDAFLL