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)CCCOc1cccc2c1-c1c(c3ccccc3c(=O)n1CCC[NH+](C)C)C2=O ZINC000071316028 563161868 /nfs/dbraw/zinc/16/18/68/563161868.db2.gz BMADHZQYXYDZKG-UHFFFAOYSA-N 2 0 433.552 3.495 1 10 IGCFRP C[NH+](C)CCCOc1ccc2c(c1)-c1c(c3ccccc3c(=O)n1CCC[NH+](C)C)C2=O ZINC000071296543 563161763 /nfs/dbraw/zinc/16/17/63/563161763.db2.gz UPLQPKOFUYWEIA-UHFFFAOYSA-N 2 0 433.552 3.495 1 10 IGCFRP [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027559460 563044108 /nfs/dbraw/zinc/04/41/08/563044108.db2.gz USARZFFYMQZFBD-UHFFFAOYSA-N 5 0 436.648 3.478 1 10 IGCFRP