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)c1[O-] ZINC000012219267 521335931 /nfs/dbraw/zinc/33/59/31/521335931.db2.gz NAPJMWAVMWHYNU-MHZLTWQESA-N 1 3 494.655 4.927 10 10 JJCEHO CCOc1cccc(C[NH+]2CCC([C@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1[O-] ZINC000012219267 521335940 /nfs/dbraw/zinc/33/59/40/521335940.db2.gz NAPJMWAVMWHYNU-MHZLTWQESA-N 1 3 494.655 4.927 10 10 JJCEHO CCOc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3)[N@H+](C)Cc3cn(C)nc3C)CC2)c1[O-] ZINC000012219266 521338730 /nfs/dbraw/zinc/33/87/30/521338730.db2.gz NAPJMWAVMWHYNU-HHHXNRCGSA-N 1 3 494.655 4.927 10 10 JJCEHO CCOc1cccc(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3)[N@@H+](C)Cc3cn(C)nc3C)CC2)c1[O-] ZINC000012219266 521338737 /nfs/dbraw/zinc/33/87/37/521338737.db2.gz NAPJMWAVMWHYNU-HHHXNRCGSA-N 1 3 494.655 4.927 10 10 JJCEHO