smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC(=O)c1ccc2cc(Cl)c3ccccc3c2c1 ZINC000001592998 563395113 /nfs/dbraw/zinc/39/51/13/563395113.db2.gz OYZJMPHLDGJSDU-UHFFFAOYSA-N 1 1 325.839 5.171 40 5 EKBBMO O=C1C(c2ccccc2)Sc2c3ccccc3c3ccccc3[n+]21 ZINC000101362401 219124310 /nfs/dbraw/zinc/12/43/10/219124310.db2.gz FRFLRXAIFYEOEP-UHFFFAOYSA-O 1 1 328.416 5.166 40 5 EKBBMO