smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(C[NH+]3CCC(F)(F)CC3)cc2)n1 ZINC000217879364 569881991 /nfs/dbraw/zinc/88/19/91/569881991.db2.gz OCZCXJFDMAWAIM-XLIONFOSSA-N 1 0 459.541 4.862 10 70 JJIERO