smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(O)cc2c(c1O)CN(C(=O)[C@@H](N)Cc1c[nH]c3ccccc13)[C@H](C(=O)N[C@@H](CC(CO)CO)C(=O)[O-])C2 ZINC000029322131 562013166 /nfs/dbraw/zinc/01/31/66/562013166.db2.gz ODKDMMTXTVCCLJ-BVSLBCMMSA-N -1 1 570.599 -0.029 1 10 KBCFMM