smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c(C)[nH]c2c(C(=O)[O-])cnn2c1=O ZINC000100002704 384607220 /nfs/dbraw/zinc/60/72/20/384607220.db2.gz IRUIJFQWKBRSJB-UHFFFAOYSA-N -1 2 221.216 1.004 50 10 BDCALM CCc1c(C)nc2c(C(=O)[O-])c[nH]n2c1=O ZINC000100002704 384607223 /nfs/dbraw/zinc/60/72/23/384607223.db2.gz IRUIJFQWKBRSJB-UHFFFAOYSA-N -1 2 221.216 1.004 50 10 BDCALM