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@H]1c2cc3[nH]c4c(c3C)c(=O)c(C(=O)OC)c4c3nc(cc4[nH+]c(cc([nH]2)[C@@H]1C)c(=C(C)[O-])c4C)[C@@H](C)[C@@H]3CCC(=O)[O-] ZINC000103255458 562820735 /nfs/dbraw/zinc/82/07/35/562820735.db2.gz XSZWYZUVMJWNBB-UDTOACJGSA-N -1 3 610.711 6.637 10 5 KKBEHM