smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[P@@](=O)([O-])O ZINC000026569978 202145833 /nfs/dbraw/zinc/14/58/33/202145833.db2.gz VGCLKYODUBTNNY-RXMQYKEDSA-N -1 0 344.220 -0.262 1 5 EBBFRM C[C@H]1O[C@@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000004186488 201593565 /nfs/dbraw/zinc/59/35/65/201593565.db2.gz TVDZYIHYFGVFAA-NWOINBQQSA-N -1 0 328.277 -0.468 2 5 EBBFRM C[C@@H]1O[C@@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000004186496 297647963 /nfs/dbraw/zinc/64/79/63/297647963.db2.gz TVDZYIHYFGVFAA-VVBYJNJRSA-N -1 0 328.277 -0.468 2 5 EBBFRM C[C@@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[P@@](=O)([O-])O ZINC000026505709 202145725 /nfs/dbraw/zinc/14/57/25/202145725.db2.gz VGCLKYODUBTNNY-YFKPBYRVSA-N -1 0 344.220 -0.262 1 5 EBBFRM C[N+](C)(CCO)Cc1cn(-c2cc(C(=O)[O-])nc(C(=O)[O-])c2)nn1 ZINC000095920600 717140601 /nfs/dbraw/zinc/14/06/01/717140601.db2.gz AQWWXXIJXFAABJ-UHFFFAOYSA-O -1 0 336.328 -0.373 1 5 in-vitro EBBFRM