smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H]([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[O-] ZINC000010450335 562978675 /nfs/dbraw/zinc/97/86/75/562978675.db2.gz STWCTQDLUUVJMC-YFKPBYRVSA-N -2 3 428.273 2.252 1 30 IEEFHL CC(C)C[C@@H]([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)N[O-] ZINC000010450334 562978700 /nfs/dbraw/zinc/97/87/00/562978700.db2.gz STWCTQDLUUVJMC-RXMQYKEDSA-N -2 3 428.273 2.252 1 30 IEEFHL CCCCCCCCCCCn1cc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1 ZINC000095590440 563189955 /nfs/dbraw/zinc/18/99/55/563189955.db2.gz HOUXFNOXORQGTG-UHFFFAOYSA-O -3 3 427.395 2.308 1 30 IEEFHL