smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCSC(=O)CCCCCCC(=O)SCC[N+](C)(C)C ZINC000004813935 230837146 /nfs/dbraw/zinc/83/71/46/230837146.db2.gz CGFSJPMDDXXXCO-UHFFFAOYSA-N 2 0 378.648 3.259 50 5 GGBARP C[N+]1(CCOCc2ccccc2)CC[N+](C)(CCOCc2ccccc2)CC1 ZINC000005377571 204129306 /nfs/dbraw/zinc/12/93/06/204129306.db2.gz FRSCYGHMYBNQFF-UHFFFAOYSA-N 2 0 384.564 3.327 50 5 GGBARP