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)CCSSCC[N+](C)(C)C ZINC000001748752 717089871 /nfs/dbraw/zinc/08/98/71/717089871.db2.gz ZZEBJTBRKQKJBO-UHFFFAOYSA-N 2 0 238.466 1.780 50 50 BDGARP C[N+]1(CCCl)CC[N+](C)(CCCl)CC1 ZINC000001461373 717087766 /nfs/dbraw/zinc/08/77/66/717087766.db2.gz BCVQWHWILUCUOU-UHFFFAOYSA-N 2 0 241.206 1.371 50 50 BDGARP