smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1 ZINC000040387073 521632967 /nfs/dbraw/zinc/63/29/67/521632967.db2.gz BNJRXKDCTKUFTK-CQSZACIVSA-N 0 3 411.528 0.643 50 30 HCEAHN CCN1CCC[C@H]1CN1CNC(=NS(=O)(=O)c2ccc(OC)c(OC)c2)NC1 ZINC000040387075 521653049 /nfs/dbraw/zinc/65/30/49/521653049.db2.gz BNJRXKDCTKUFTK-AWEZNQCLSA-N 0 3 411.528 0.643 50 30 HCEAHN