smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CCCCCC1 ZINC000217559985 557171526 /nfs/dbraw/zinc/17/15/26/557171526.db2.gz HSOIAQSJLYVVJJ-RBUKOAKNSA-N 2 0 438.572 2.248 40 70 IEIBRP CC1CC[NH+](Cc2c(O)c(=O)cc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2C)CC1 ZINC000217562087 557171419 /nfs/dbraw/zinc/17/14/19/557171419.db2.gz RRJHGBUWGMKKPK-RBUKOAKNSA-N 2 0 438.572 2.104 40 70 IEIBRP