smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Sc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1 ZINC000009235096 204302765 /nfs/dbraw/zinc/30/27/65/204302765.db2.gz OBRSQNAMHOHREO-IZZDOVSWSA-N -2 0 381.413 4.014 50 5 GIBARL COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000072238849 205319159 /nfs/dbraw/zinc/31/91/59/205319159.db2.gz ZTLKMZQDSNBSRH-WQLSENKSSA-N -2 0 392.367 4.042 50 5 GIBARL COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000006053381 570229666 /nfs/dbraw/zinc/22/96/66/570229666.db2.gz ZTLKMZQDSNBSRH-XYOKQWHBSA-N -2 0 392.367 4.042 50 5 GIBARL O=[N+]([O-])c1cc(Cl)cc(Sc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1[O-] ZINC000001845622 206392716 /nfs/dbraw/zinc/39/27/16/206392716.db2.gz ZAOJWJAARUYTMA-UHFFFAOYSA-N -2 0 377.161 4.372 50 5 GIBARL