smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2c(C(=O)[O-])cnn2c(=O)c1C ZINC000100105517 180061400 /nfs/dbraw/zinc/06/14/00/180061400.db2.gz BRLMYDWNKBHUNU-UHFFFAOYSA-N -1 2 207.189 0.750 40 10 BCCBLM Cc1nc2c(C(=O)[O-])c[nH]n2c(=O)c1C ZINC000100105517 180061402 /nfs/dbraw/zinc/06/14/02/180061402.db2.gz BRLMYDWNKBHUNU-UHFFFAOYSA-N -1 2 207.189 0.750 40 10 BCCBLM