smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1c2ccccc2[nH+]c2ccc(F)cc21 ZINC000004991171 170050406 /nfs/dbraw/zinc/05/04/06/170050406.db2.gz QSULHVGQHGNXFZ-UHFFFAOYSA-N 2 0 297.377 3.891 40 10 CHCBRP [NH3+]CCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005934989 1117834630 /nfs/dbraw/zinc/83/46/30/1117834630.db2.gz OUZPEYDVIBIAEU-UHFFFAOYSA-N 2 0 265.360 3.539 40 10 CHCBRP