smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCCN(CCC[NH3+])CCN(CCC[NH3+])CCC[N@H+](C)CC1 ZINC000068605094 215320992 /nfs/dbraw/zinc/32/09/92/215320992.db2.gz HNULCWUEHHFBJE-UHFFFAOYSA-N 3 3 342.576 -0.055 40 0 EBABHP CN1CCCN(CCC[NH3+])CCN(CCC[NH3+])CCC[N@@H+](C)CC1 ZINC000068605094 215320995 /nfs/dbraw/zinc/32/09/95/215320995.db2.gz HNULCWUEHHFBJE-UHFFFAOYSA-N 3 3 342.576 -0.055 40 0 EBABHP