smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC)C(=O)[O-] ZINC000541000239 1075823497 /nfs/dbraw/zinc/82/34/97/1075823497.db2.gz VDCPIUDEAIESQG-CYBMUJFWSA-N -2 1 418.493 0.992 20 30 HCEDML CC#CC[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1OC)C(=O)[O-] ZINC000541000241 1075823528 /nfs/dbraw/zinc/82/35/28/1075823528.db2.gz VDCPIUDEAIESQG-ZDUSSCGKSA-N -2 1 418.493 0.992 20 30 HCEDML