smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000035466172 172213675 /nfs/dbraw/zinc/21/36/75/172213675.db2.gz NQIZIOGKLJAGSU-ZETCQYMHSA-N -1 3 255.226 -0.639 40 10 biogenic,in-vitro CBCBHM COC(=O)[C@@H](CO)NC(=O)c1cccc(O)c1[O-] ZINC000035466170 172213636 /nfs/dbraw/zinc/21/36/36/172213636.db2.gz NQIZIOGKLJAGSU-SSDOTTSWSA-N -1 3 255.226 -0.639 40 10 biogenic,in-vitro CBCBHM