smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H](CCNC(=[NH2+])SC)[C@H]([NH3+])C(=O)OC(C)(C)C ZINC000096900231 185390357 /nfs/dbraw/zinc/39/03/57/185390357.db2.gz KYTKSHZWLXQFCU-QWRGUYRKSA-N 2 1 303.472 2.140 1 30 DEEFMP C=CC[NH2+][C@@H]1CC(=S)N2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@H]2C1)[C@H]34 ZINC000064559408 184299641 /nfs/dbraw/zinc/29/96/41/184299641.db2.gz XECDHLGDONPUTH-UJHHCITNSA-N 2 1 319.518 2.427 1 30 DEEFMP