smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1c2c3c(ccc2CC[N+]1(C)CC[NH+](CC)CC)OCO3 ZINC000001676598 563402327 /nfs/dbraw/zinc/40/23/27/563402327.db2.gz WCAQQGAONCJZTF-PLEWWHCXSA-N 2 1 333.496 3.601 40 5 EHBBMP CCC[C@H]1c2c3c(ccc2CC[N+]1(C)CC[NH+](CC)CC)OCO3 ZINC000001676597 563402320 /nfs/dbraw/zinc/40/23/20/563402320.db2.gz WCAQQGAONCJZTF-LBOXEOMUSA-N 2 1 333.496 3.601 40 5 EHBBMP