smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=[NH+]Nc1ccccc1)c1ccc(C=[NH+]Nc2ccccc2)cc1 ZINC000005519364 181253357 /nfs/dbraw/zinc/25/33/57/181253357.db2.gz SPKHFXGAGWFQOG-YHARCJFQSA-N 2 2 314.392 4.579 50 30 DJEALP C(=[NH+]Nc1ccccc1)c1ccccc1C=[NH+]Nc1ccccc1 ZINC000005257084 256518417 /nfs/dbraw/zinc/51/84/17/256518417.db2.gz SQXPRCTUFAEICQ-YHARCJFQSA-N 2 2 314.392 4.579 50 30 DJEALP C(=[NH+]Nc1ccccc1)c1cccc(C=[NH+]Nc2ccccc2)c1 ZINC000004532751 518376124 /nfs/dbraw/zinc/37/61/24/518376124.db2.gz QFWOILTZMJENKD-YHARCJFQSA-N 2 2 314.392 4.579 50 30 DJEALP