smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(CO)(CO)C[N+](C)(C)C ZINC000000399613 384319734 /nfs/dbraw/zinc/31/97/34/384319734.db2.gz XHIRTCACLJOOBT-UHFFFAOYSA-N 2 0 220.357 -0.630 50 5 BBBARP C1C[N+]2(CCO1)CC[N+]1(CCOCC1)CC2 ZINC000000406188 323075071 /nfs/dbraw/zinc/07/50/71/323075071.db2.gz XYCLZGQKBCMLBY-UHFFFAOYSA-N 2 0 228.336 -0.306 50 5 BBBARP C[N+]1(CC[N+]2(C)CCOCC2)CCOCC1 ZINC000048533386 368403636 /nfs/dbraw/zinc/40/36/36/368403636.db2.gz VBVVRXVOCAMVFB-UHFFFAOYSA-N 2 0 230.352 -0.060 50 5 BBBARP