smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889507 1071129134 /nfs/dbraw/zinc/12/91/34/1071129134.db2.gz KTRLUGQYQJYNQF-HNNXBMFYSA-N -2 1 412.406 -0.179 20 10 HBCDML O=C([O-])CN1CCCn2nc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc2C1=O ZINC001178374042 1071286726 /nfs/dbraw/zinc/28/67/26/1071286726.db2.gz LJJSKXXNIGFPEN-UHFFFAOYSA-N -2 1 402.363 -0.163 20 10 HBCDML