smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000161031139 551588997 /nfs/dbraw/zinc/58/89/97/551588997.db2.gz VFHRUZWWFDMUNQ-GOEBONIOSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000161031139 551588998 /nfs/dbraw/zinc/58/89/98/551588998.db2.gz VFHRUZWWFDMUNQ-GOEBONIOSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000161031383 551588925 /nfs/dbraw/zinc/58/89/25/551588925.db2.gz VFHRUZWWFDMUNQ-HOCLYGCPSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000161031383 551588929 /nfs/dbraw/zinc/58/89/29/551588929.db2.gz VFHRUZWWFDMUNQ-HOCLYGCPSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000161031262 551589109 /nfs/dbraw/zinc/58/91/09/551589109.db2.gz VFHRUZWWFDMUNQ-ZBFHGGJFSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@@H]1C[C@@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000161031262 551589111 /nfs/dbraw/zinc/58/91/11/551589111.db2.gz VFHRUZWWFDMUNQ-ZBFHGGJFSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000161031016 551589242 /nfs/dbraw/zinc/58/92/42/551589242.db2.gz VFHRUZWWFDMUNQ-GDBMZVCRSA-N 1 3 382.346 2.870 20 70 GFIDHO C[C@@H]1C[C@H](NCCC(=O)N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000161031016 551589244 /nfs/dbraw/zinc/58/92/44/551589244.db2.gz VFHRUZWWFDMUNQ-GDBMZVCRSA-N 1 3 382.346 2.870 20 70 GFIDHO