smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])N[C@@H](C)CCCC(=O)C=C(O)CCc1cc(C[NH2+]C)c(O)c(OC)c1 ZINC000085627161 291194511 /nfs/dbraw/zinc/19/45/11/291194511.db2.gz IXFIKBGMQZHLSX-AWEZNQCLSA-N 2 0 406.527 1.884 1 10 biogenic,in-vitro HDCFRP