smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1C(=O)[O-] ZINC000390835696 467414907 /nfs/dbraw/zinc/41/49/07/467414907.db2.gz VGGREXPDZBLVRT-UHFFFAOYSA-N -2 2 346.368 2.019 40 0 EEABLL O=C(CSc1nc(O)cc(=O)[nH]1)Nc1cccc2ccccc21 ZINC000013881359 462905403 /nfs/dbraw/zinc/90/54/03/462905403.db2.gz FBYVPPZJVMLECV-UHFFFAOYSA-N -2 2 327.365 2.360 40 0 EEABLL