smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@H]1CC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)O1 ZINC000306138657 568901449 /nfs/dbraw/zinc/90/14/49/568901449.db2.gz SDTDAQUDYJYNFD-QGZVFWFLSA-N 2 0 415.456 4.079 40 5 HIBBRP CC[NH+](CC)CCNc1nnc(NCC[NH+](CC)CC)c2cc3ccccc3cc21 ZINC000001608071 557275767 /nfs/dbraw/zinc/27/57/67/557275767.db2.gz QRAYUBISEXXSKY-UHFFFAOYSA-N 2 0 408.594 4.290 40 5 HIBBRP