smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2c3ccccc3[nH+]c3ccc(C)cc32)cc1 ZINC000004718279 170004783 /nfs/dbraw/zinc/00/47/83/170004783.db2.gz OSMBBSNRZYMDMF-UHFFFAOYSA-N 1 0 298.389 5.748 1 10 CKCFRO CNc1cccc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000005318889 170085484 /nfs/dbraw/zinc/08/54/84/170085484.db2.gz AWRMWLGJVXWUIH-UHFFFAOYSA-N 1 0 299.377 5.173 1 10 CKCFRO Fc1ccccc1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005422267 170097573 /nfs/dbraw/zinc/09/75/73/170097573.db2.gz QXIIACIFKMJPDO-UHFFFAOYSA-N 1 0 288.325 5.271 1 10 CKCFRO Cc1cccc2c(NCc3ccccc3)c3ccccc3[nH+]c12 ZINC000096915355 185129465 /nfs/dbraw/zinc/12/94/65/185129465.db2.gz AQFUXGSYNBXYBY-UHFFFAOYSA-N 1 0 298.389 5.309 1 10 CKCFRO