smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCCN1CCC[N@H+](C)CC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262981442 526356688 /nfs/dbraw/zinc/35/66/88/526356688.db2.gz UDWRFFPKRXGHAB-KRWDZBQOSA-N 2 3 350.555 0.806 10 30 FCEEHP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262981442 526356692 /nfs/dbraw/zinc/35/66/92/526356692.db2.gz UDWRFFPKRXGHAB-KRWDZBQOSA-N 2 3 350.555 0.806 10 30 FCEEHP