smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=CNc2ncnc3nc[nH]c32)C(=O)N1 ZINC000584637616 373660345 /nfs/dbraw/zinc/66/03/45/373660345.db2.gz PQENTKMQOHLDTF-UHFFFAOYSA-N -1 0 273.212 -1.034 10 10 CACERM Nc1ccc(O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000044135711 175145452 /nfs/dbraw/zinc/14/54/52/175145452.db2.gz ZARKEMJKQOXOSQ-DSPMHBFJSA-N -1 0 285.252 -1.460 10 10 CACERM Nc1ccc(O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000044699070 175235301 /nfs/dbraw/zinc/23/53/01/175235301.db2.gz ZARKEMJKQOXOSQ-LIJGXYGRSA-N -1 0 285.252 -1.460 10 10 in-vitro CACERM