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([N-]S(=O)(=O)c3cccc4nccnc43)cc2)CC1 ZINC000217803286 562877758 /nfs/dbraw/zinc/87/77/58/562877758.db2.gz PIXFETGGUABVSB-UHFFFAOYSA-N -1 0 506.588 2.374 1 70 KEIFRM