smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O ZINC000066088748 376228256 /nfs/dbraw/zinc/22/82/56/376228256.db2.gz QTJAGFWDTWNZTJ-UHFFFAOYSA-N 1 0 330.344 -0.394 40 10 EBCBRO C[N@H+](CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O ZINC000408710516 375915705 /nfs/dbraw/zinc/91/57/05/375915705.db2.gz QTJAGFWDTWNZTJ-UHFFFAOYSA-O 1 0 331.352 -0.180 40 10 EBCBRO CC(=O)N1CCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3O)[C@H]2O)CC1 ZINC000514288543 419059352 /nfs/dbraw/zinc/05/93/52/419059352.db2.gz HVNNDUGKTBKKJW-RYQLBKOJSA-N 1 0 349.431 -0.226 40 10 biogenic,in-vitro EBCBRO