smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OCC(C)C)CC3)o2)cc1C ZINC000160956262 567840659 /nfs/dbraw/zinc/84/06/59/567840659.db2.gz XFIITNTYTWMJDF-KRWDZBQOSA-N 1 1 357.498 4.551 20 70 FJIDMO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OCC(C)C)CC3)o2)cc1C ZINC000160956145 567840622 /nfs/dbraw/zinc/84/06/22/567840622.db2.gz XFIITNTYTWMJDF-QGZVFWFLSA-N 1 1 357.498 4.551 20 70 FJIDMO