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)(C)Cc1ccccc1NC=[NH2+] ZINC001167868355 1166872305 /nfs/dbraw/zinc/87/23/05/1166872305.db2.gz JCLVRSYWFUGVEH-UHFFFAOYSA-N 2 0 206.313 2.302 20 5 BEBDRP Cc1ccc([C@@H](C)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902414872 584600337 /nfs/dbraw/zinc/60/03/37/584600337.db2.gz FIDYOLJCMVSFNG-SNVBAGLBSA-N 2 0 249.314 2.045 20 5 BEBDRP CCOC(=N)CCCCO[C@H](C)C[N+](C)(C)C ZINC001224967573 974110742 /nfs/dbraw/zinc/11/07/42/974110742.db2.gz XCDAQFGHFWWNAD-GFCCVEGCSA-N 2 0 245.387 2.282 20 5 BEBDRP Cc1ccc([C@H](C)NCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC000902414871 584600384 /nfs/dbraw/zinc/60/03/84/584600384.db2.gz FIDYOLJCMVSFNG-JTQLQIEISA-N 2 0 249.314 2.045 20 5 BEBDRP