smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539295312 333664292 /nfs/dbraw/zinc/66/42/92/333664292.db2.gz JYMNEUGHJSFZAC-GJZGRUSLSA-N 0 1 298.386 4.623 20 5 CJBDMN Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539295313 333664288 /nfs/dbraw/zinc/66/42/88/333664288.db2.gz JYMNEUGHJSFZAC-HUUCEWRRSA-N 0 1 298.386 4.623 20 5 CJBDMN Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228254 334020762 /nfs/dbraw/zinc/02/07/62/334020762.db2.gz JJIYGPYQHVTSDR-CABCVRRESA-N 0 1 298.386 4.623 20 5 CJBDMN Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228255 334020781 /nfs/dbraw/zinc/02/07/81/334020781.db2.gz JJIYGPYQHVTSDR-GJZGRUSLSA-N 0 1 298.386 4.623 20 5 CJBDMN Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228256 334020759 /nfs/dbraw/zinc/02/07/59/334020759.db2.gz JJIYGPYQHVTSDR-HUUCEWRRSA-N 0 1 298.386 4.623 20 5 CJBDMN Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228257 334020879 /nfs/dbraw/zinc/02/08/79/334020879.db2.gz JJIYGPYQHVTSDR-LSDHHAIUSA-N 0 1 298.386 4.623 20 5 CJBDMN