smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(Cc2ccc(C#CCC[NH+]3CCCCC3)cc2)CC1 ZINC000038387820 213209053 /nfs/dbraw/zinc/20/90/53/213209053.db2.gz GNEXGCZJYUOOFU-UHFFFAOYSA-N 1 3 325.500 2.662 1 30 EFEFHO OC1CCN(Cc2ccc(C#CCC[NH+]3CCCCC3)cc2)CC1 ZINC000038458805 213208483 /nfs/dbraw/zinc/20/84/83/213208483.db2.gz PMDFXUUOQUKLKK-UHFFFAOYSA-N 1 3 326.484 2.871 1 30 EFEFHO