smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CCCCC[N+](C)(CC)CC ZINC000001571287 342703785 /nfs/dbraw/zinc/70/37/85/342703785.db2.gz XSGUKVZOHDWGHI-UHFFFAOYSA-N 2 0 244.467 3.130 40 5 BGBBRP CC[N+](CC)(CC)CCC[N+](CC)(CC)CC ZINC000001683757 342708939 /nfs/dbraw/zinc/70/89/39/342708939.db2.gz SERGJFNYUXIJMP-UHFFFAOYSA-N 2 0 244.467 3.130 40 5 BGBBRP C[N+](C)(C)CCCCCCCCC[N+](C)(C)C ZINC000001730256 177487306 /nfs/dbraw/zinc/48/73/06/177487306.db2.gz YQIXJBMRVGLUGE-UHFFFAOYSA-N 2 0 244.467 3.130 40 5 BGBBRP