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-])c1ccccc1C[NH2+]C1CC[NH2+]CC1	ZINC000050015629	383886915	/nfs/dbraw/zinc/88/69/15/383886915.db2.gz	INRZKCFJQVBLOG-UHFFFAOYSA-N	2	2	235.287	1.436	40	5		BDBBLP
[NH3+]C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000020521681	181344760	/nfs/dbraw/zinc/34/47/60/181344760.db2.gz	MCFRXOSUIPWFME-UHFFFAOYSA-N	2	2	235.287	1.518	40	5		BDBBLP
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1	ZINC000019392596	371138800	/nfs/dbraw/zinc/13/88/00/371138800.db2.gz	WRWFPOIMNPZDJJ-UHFFFAOYSA-N	2	2	235.287	1.390	40	5		BDBBLP
O=[N+]([O-])c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1	ZINC000019392596	371138805	/nfs/dbraw/zinc/13/88/05/371138805.db2.gz	WRWFPOIMNPZDJJ-UHFFFAOYSA-N	2	2	235.287	1.390	40	5		BDBBLP
CC(C)[N@H+](CC[NH3+])Cc1cccc([N+](=O)[O-])c1	ZINC000079420715	187263366	/nfs/dbraw/zinc/26/33/66/187263366.db2.gz	RKGOTUNTPJCCJK-UHFFFAOYSA-N	2	2	237.303	1.764	40	5		BDBBLP
CC(C)[N@@H+](CC[NH3+])Cc1cccc([N+](=O)[O-])c1	ZINC000079420715	187263368	/nfs/dbraw/zinc/26/33/68/187263368.db2.gz	RKGOTUNTPJCCJK-UHFFFAOYSA-N	2	2	237.303	1.764	40	5		BDBBLP
CC[N+]1(CCC[NH+]2CCOCC2)CCCCC1	ZINC000031923598	343226243	/nfs/dbraw/zinc/22/62/43/343226243.db2.gz	SBMMLUOUTHZGMQ-UHFFFAOYSA-N	2	2	241.399	1.729	40	5		BDBBLP
CC[N@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420698	388694587	/nfs/dbraw/zinc/69/45/87/388694587.db2.gz	JIVGCGHWGUAZIT-UHFFFAOYSA-N	2	2	223.276	1.375	40	5		BDBBLP
CC[N@@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420698	388694590	/nfs/dbraw/zinc/69/45/90/388694590.db2.gz	JIVGCGHWGUAZIT-UHFFFAOYSA-N	2	2	223.276	1.375	40	5		BDBBLP
C[N@@H+]1CCc2ccccc2[C@@H]1C[N+](C)(C)C	ZINC000003845813	173172751	/nfs/dbraw/zinc/17/27/51/173172751.db2.gz	NLLQUKFFDFUNPW-AWEZNQCLSA-N	2	2	219.352	1.922	40	5		BDBBLP
C[N@H+]1CCc2ccccc2[C@@H]1C[N+](C)(C)C	ZINC000003845813	173172752	/nfs/dbraw/zinc/17/27/52/173172752.db2.gz	NLLQUKFFDFUNPW-AWEZNQCLSA-N	2	2	219.352	1.922	40	5		BDBBLP
[NH3+]C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000020457745	181344621	/nfs/dbraw/zinc/34/46/21/181344621.db2.gz	UHIQIZHKFBGXFN-UHFFFAOYSA-N	2	2	235.287	1.518	40	5		BDBBLP
C[N@@H+]1CCc2ccccc2[C@H]1C[N+](C)(C)C	ZINC000003845814	173171480	/nfs/dbraw/zinc/17/14/80/173171480.db2.gz	NLLQUKFFDFUNPW-CQSZACIVSA-N	2	2	219.352	1.922	40	5		BDBBLP
C[N@H+]1CCc2ccccc2[C@H]1C[N+](C)(C)C	ZINC000003845814	173171483	/nfs/dbraw/zinc/17/14/83/173171483.db2.gz	NLLQUKFFDFUNPW-CQSZACIVSA-N	2	2	219.352	1.922	40	5		BDBBLP
CC(C)[N@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420712	188291541	/nfs/dbraw/zinc/29/15/41/188291541.db2.gz	BIYUUFNOSAHZEH-UHFFFAOYSA-N	2	2	237.303	1.764	40	5		BDBBLP
CC(C)[N@@H+](CC[NH3+])Cc1ccc([N+](=O)[O-])cc1	ZINC000079420712	188291542	/nfs/dbraw/zinc/29/15/42/188291542.db2.gz	BIYUUFNOSAHZEH-UHFFFAOYSA-N	2	2	237.303	1.764	40	5		BDBBLP
C[NH+](C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000057362383	398320442	/nfs/dbraw/zinc/32/04/42/398320442.db2.gz	JSUVCIHUKILZSJ-UHFFFAOYSA-N	2	2	237.303	1.636	40	5		BDBBLP
O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[NH2+]CC2)cc1	ZINC000035677509	358088099	/nfs/dbraw/zinc/08/80/99/358088099.db2.gz	QVWRTKSALBQMRO-UHFFFAOYSA-N	2	2	249.314	1.433	40	5		BDBBLP
O=[N+]([O-])c1ccc(CC[N@H+]2CCC[NH2+]CC2)cc1	ZINC000035677509	358088104	/nfs/dbraw/zinc/08/81/04/358088104.db2.gz	QVWRTKSALBQMRO-UHFFFAOYSA-N	2	2	249.314	1.433	40	5		BDBBLP