smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCC(C(N)=O)CC3)[C@H]2O)c1 ZINC000020463927 560092847 /nfs/dbraw/zinc/09/28/47/560092847.db2.gz CUEFDEDNWARIDO-ZQOJQMTGSA-N 1 1 415.450 -0.270 40 30 biogenic,in-vitro HBEBMO