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+]1(CI)CCCC1 ZINC000003070188 717095743 /nfs/dbraw/zinc/09/57/43/717095743.db2.gz IOISBEMNUOGYIU-UHFFFAOYSA-N 1 0 226.081 1.619 50 50 BDGARO C[N+](C)(C)CC1(CBr)COC1 ZINC000003200650 717095716 /nfs/dbraw/zinc/09/57/16/717095716.db2.gz LZAOKLNBQZXQPT-UHFFFAOYSA-N 1 0 223.134 1.104 50 50 BDGARO C[N+](C)(C)CI ZINC000002007443 717092969 /nfs/dbraw/zinc/09/29/69/717092969.db2.gz IHYUSIMWXXUFAR-UHFFFAOYSA-N 1 0 200.043 1.085 50 50 BDGARO