smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2cccc3ccccc32)c2ccc3ccccc3c2[nH+]1 ZINC000005587590 210496100 /nfs/dbraw/zinc/49/61/00/210496100.db2.gz WSBIWUJQNJYAPR-UHFFFAOYSA-N 1 1 334.422 6.593 1 5 EKBFMO CC[NH+](CC)CCNCc1ccc2ccc3cccc4ccc1c2c34 ZINC000026468317 202144005 /nfs/dbraw/zinc/14/40/05/202144005.db2.gz XXEJBDBDDIMJGH-UHFFFAOYSA-N 1 1 330.475 5.015 1 5 EKBFMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc2ccccc2c2ccccc12 ZINC000028246692 212610872 /nfs/dbraw/zinc/61/08/72/212610872.db2.gz UJEKKCHLKQPMCQ-FMIVXFBMSA-N 1 1 337.466 6.138 1 5 EKBFMO