smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCC(=O)N([O-])CC[C@H](O)CNC(=O)CCC(=O)N(O)CC[C@H](O)CN1 ZINC000013310151 560214097 /nfs/dbraw/zinc/21/40/97/560214097.db2.gz OZZLZFXDNDCIOU-RYUDHWBXSA-N -1 3 404.420 -2.270 1 30 in-vitro HAEFHM CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)N[O-])cc1 ZINC000013560275 581093841 /nfs/dbraw/zinc/09/38/41/581093841.db2.gz WSWMIGCNSWBCNT-KBUPBQIOSA-N -1 3 400.409 -1.950 1 30 HAEFHM