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)CCN(C=O)CC[N+](C)(C)C ZINC000001733959 383933886 /nfs/dbraw/zinc/93/38/86/383933886.db2.gz IATGAYXFRISDHB-UHFFFAOYSA-N 2 0 217.357 -0.143 40 5 BBBBRP Cn1c[n+](C)c2c1CC[N+](C)(CCO)C2 ZINC000008375935 342798720 /nfs/dbraw/zinc/79/87/20/342798720.db2.gz FZWZQIJRODCBKK-UHFFFAOYSA-N 2 0 211.309 -0.655 40 5 BBBBRP Cn1c[n+](C)c2c1CC[N@@+](C)(CCO)C2 ZINC000247638795 325594786 /nfs/dbraw/zinc/59/47/86/325594786.db2.gz FZWZQIJRODCBKK-AWEZNQCLSA-N 2 0 211.309 -0.655 40 5 BBBBRP Cn1c[n+](C)c2c1CC[N@+](C)(CCO)C2 ZINC000247638798 388667830 /nfs/dbraw/zinc/66/78/30/388667830.db2.gz FZWZQIJRODCBKK-CQSZACIVSA-N 2 0 211.309 -0.655 40 5 BBBBRP