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]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000156441248 564145507 /nfs/dbraw/zinc/14/55/07/564145507.db2.gz CGBSKDBGSFSUFR-IBGZPJMESA-N 1 3 325.456 3.745 50 10 EHCAHO [O-]c1cc(C[NH+]2CCCCCC2)c(O)cc1C[NH+]1CCCCCC1 ZINC000000045062 209388264 /nfs/dbraw/zinc/38/82/64/209388264.db2.gz QJEIBGMJALJIGB-UHFFFAOYSA-N 1 3 332.488 3.850 50 10 EHCAHO CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000156441374 564145485 /nfs/dbraw/zinc/14/54/85/564145485.db2.gz CGBSKDBGSFSUFR-LJQANCHMSA-N 1 3 325.456 3.745 50 10 EHCAHO