smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)cc1OC ZINC000730765624 1076648018 /nfs/dbraw/zinc/64/80/18/1076648018.db2.gz DDXKRXMKILRGBP-UHFFFAOYSA-N -2 3 418.449 1.637 20 10 HDCDHL COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cccc(Br)c1[O-] ZINC000766202004 1076263950 /nfs/dbraw/zinc/26/39/50/1076263950.db2.gz YMOCUAHXTUIYIG-UHFFFAOYSA-N -2 3 407.267 1.876 20 10 HDCDHL