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/C(=C/c2cc([N+](=O)[O-])ccc2O)SC(=S)N1CCS(=O)(=O)[O-] ZINC000016935694 210199004 /nfs/dbraw/zinc/19/90/04/210199004.db2.gz BZRPWKDSBSAEDY-POHAHGRESA-N -1 2 390.420 1.389 10 10 GDCELM