smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nccc1CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4nccnc43)cc2)CC1 ZINC000217803286 562877759 /nfs/dbraw/zinc/87/77/59/562877759.db2.gz PIXFETGGUABVSB-UHFFFAOYSA-N 0 2 506.588 2.374 1 70 KEIFLN