smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1O ZINC000012219267 521335922 /nfs/dbraw/zinc/33/59/22/521335922.db2.gz NAPJMWAVMWHYNU-MHZLTWQESA-N 2 1 494.655 4.927 10 10 JJCEMP CCOc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1O ZINC000012219266 521338720 /nfs/dbraw/zinc/33/87/20/521338720.db2.gz NAPJMWAVMWHYNU-HHHXNRCGSA-N 2 1 494.655 4.927 10 10 JJCEMP