smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1[O-] ZINC000024101192 935957195 /nfs/dbraw/zinc/95/71/95/935957195.db2.gz RLKDWYSKHWHWHX-UHFFFAOYSA-N -2 1 370.386 3.768 20 5 FHBDML CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000471114047 927437011 /nfs/dbraw/zinc/43/70/11/927437011.db2.gz DBRISKKRVHXKAQ-UHFFFAOYSA-N -2 1 368.436 3.602 20 5 FHBDML