smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@H+]1[C@@H]2CCCCC[C@@H]21	ZINC000008461886	170336853	/nfs/dbraw/zinc/33/68/53/170336853.db2.gz	LZYQUYJOCLBJGY-HUOYYHSISA-N	1	2	280.328	1.169	1	5		CDBFLO
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@@H+]1[C@@H]2CCCCC[C@@H]21	ZINC000008461886	170336854	/nfs/dbraw/zinc/33/68/54/170336854.db2.gz	LZYQUYJOCLBJGY-HUOYYHSISA-N	1	2	280.328	1.169	1	5		CDBFLO
Nc1nc(-n2ccc3ccc([N+](=O)[O-])cc32)cc[nH+]1	ZINC000095601532	185015296	/nfs/dbraw/zinc/01/52/96/185015296.db2.gz	DWFZGWHKHFPLKQ-UHFFFAOYSA-N	1	2	255.237	1.911	1	5		CDBFLO
COc1ccc([N+](=O)[O-])c2c1C[C@H]1[C@@H](C2)OCC[N@@H+]1C	ZINC000040498365	174296149	/nfs/dbraw/zinc/29/61/49/174296149.db2.gz	GCLZZYVNKLQPLZ-GXTWGEPZSA-N	1	2	278.308	1.401	1	5		CDBFLO
COc1ccc([N+](=O)[O-])c2c1C[C@H]1[C@@H](C2)OCC[N@H+]1C	ZINC000040498365	174296150	/nfs/dbraw/zinc/29/61/50/174296150.db2.gz	GCLZZYVNKLQPLZ-GXTWGEPZSA-N	1	2	278.308	1.401	1	5		CDBFLO
CC1(C)[NH+](C[C@H](O)Cn2ccnc2[N+](=O)[O-])C1(C)C	ZINC000005114501	170066976	/nfs/dbraw/zinc/06/69/76/170066976.db2.gz	WPHMINQWSHFCSD-SECBINFHSA-N	1	2	268.317	1.025	1	5		CDBFLO
CC1(C)[NH+](C[C@@H](O)Cn2ccnc2[N+](=O)[O-])C1(C)C	ZINC000005114502	170067048	/nfs/dbraw/zinc/06/70/48/170067048.db2.gz	WPHMINQWSHFCSD-VIFPVBQESA-N	1	2	268.317	1.025	1	5		CDBFLO
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@H+]1[C@@H]2CCCCCC[C@@H]21	ZINC000008461885	170336987	/nfs/dbraw/zinc/33/69/87/170336987.db2.gz	WACDPCDWMSAOFB-CBOPYJBQSA-N	1	2	294.355	1.559	1	5		CDBFLO
O=[N+]([O-])c1nccn1C[C@@H](O)C[N@@H+]1[C@@H]2CCCCCC[C@@H]21	ZINC000008461885	170336989	/nfs/dbraw/zinc/33/69/89/170336989.db2.gz	WACDPCDWMSAOFB-CBOPYJBQSA-N	1	2	294.355	1.559	1	5		CDBFLO
O=[N+]([O-])c1nccn1C[C@@H](O)C[NH+]1[C@H]2CCCCCC[C@@H]21	ZINC000013885723	170606369	/nfs/dbraw/zinc/60/63/69/170606369.db2.gz	WACDPCDWMSAOFB-AGIUHOORSA-N	1	2	294.355	1.559	1	5		CDBFLO
COc1ccc([N+](=O)[O-])c2c1C[C@H]1[C@H](C2)OCC[N@@H+]1C	ZINC000040498364	174295933	/nfs/dbraw/zinc/29/59/33/174295933.db2.gz	GCLZZYVNKLQPLZ-JSGCOSHPSA-N	1	2	278.308	1.401	1	5		CDBFLO
COc1ccc([N+](=O)[O-])c2c1C[C@H]1[C@H](C2)OCC[N@H+]1C	ZINC000040498364	174295934	/nfs/dbraw/zinc/29/59/34/174295934.db2.gz	GCLZZYVNKLQPLZ-JSGCOSHPSA-N	1	2	278.308	1.401	1	5		CDBFLO