smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1N=[NH2+] ZINC000004520898 563504239 /nfs/dbraw/zinc/50/42/39/563504239.db2.gz APPOWEWCLQTATB-UHFFFAOYSA-N 1 2 335.448 4.543 10 10 EJCELO CC1CCC(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715816602 563924789 /nfs/dbraw/zinc/92/47/89/563924789.db2.gz CHPWVLLBNXIBPZ-UHFFFAOYSA-N 1 2 344.268 4.600 10 10 EJCELO CC1=CC(=NNc2ccc(Cl)cc2)C=C(C[NH+]2CCOCC2)C1=O ZINC000254507382 244045107 /nfs/dbraw/zinc/04/51/07/244045107.db2.gz NUQHIMKPLURKFY-UHFFFAOYSA-N 1 2 345.830 4.602 10 10 EJCELO