smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013381831 206301162 /nfs/dbraw/zinc/30/11/62/206301162.db2.gz XQZVHESVZCKBJB-GDPGSFABSA-N 2 1 364.533 4.802 50 30 FJEAMP COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000033927958 570633928 /nfs/dbraw/zinc/63/39/28/570633928.db2.gz XQZVHESVZCKBJB-DGDORRRTSA-N 2 1 364.533 4.802 50 30 FJEAMP COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013381833 206301302 /nfs/dbraw/zinc/30/13/02/206301302.db2.gz XQZVHESVZCKBJB-FUIYNFKPSA-N 2 1 364.533 4.802 50 30 FJEAMP COc1ccc(/C=[NH+]/CC[C@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000033927957 220753896 /nfs/dbraw/zinc/75/38/96/220753896.db2.gz XQZVHESVZCKBJB-WDNWICHASA-N 2 1 364.533 4.802 50 30 FJEAMP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000023703118 570966734 /nfs/dbraw/zinc/96/67/34/570966734.db2.gz JLULSGNZFPXTMB-UHFFFAOYSA-N 2 1 373.544 4.645 50 30 FJEAMP