smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CCC[NH+]1CC[N+]2(CCCC2)CC1)CCN1CC[N+]2(CCCC2)CC1 ZINC000084462632 717135797 /nfs/dbraw/zinc/13/57/97/717135797.db2.gz NHAHJFAFOKOHJH-UHFFFAOYSA-N 3 2 364.622 2.399 1 5 FEBFLP C(CCC[NH+]1CC[N+]2(CCCC2)CC1)CC[NH+]1CC[N+]2(CCCC2)CC1 ZINC000084462632 717135798 /nfs/dbraw/zinc/13/57/98/717135798.db2.gz NHAHJFAFOKOHJH-UHFFFAOYSA-N 4 2 364.622 2.399 1 5 FEBFLP