smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)C[C@@H]2CCC[N+]2(C)C)ccc1[O-]	ZINC000049054452	717130121	/nfs/dbraw/zinc/13/01/21/717130121.db2.gz	KMFMDBAYGMIWCI-LBPRGKRZSA-O	0	3	264.345	2.212	1	5		CEBFHN
COc1cc(C(=O)C[C@H]2CCC[N+]2(C)C)ccc1[O-]	ZINC000049054449	717129759	/nfs/dbraw/zinc/12/97/59/717129759.db2.gz	KMFMDBAYGMIWCI-GFCCVEGCSA-O	0	3	264.345	2.212	1	5		CEBFHN
COc1nn(CCN2CCCC2)c2ccc([N+](=O)[O-])cc21	ZINC000045348524	175361589	/nfs/dbraw/zinc/36/15/89/175361589.db2.gz	XNHKJZBNXUYXEJ-UHFFFAOYSA-N	0	3	290.323	2.049	1	5		CEBFHN
O=C1[N-][N+]2(CCCCCC2)c2ccc([N+](=O)[O-])cc21	ZINC000084654156	717135869	/nfs/dbraw/zinc/13/58/69/717135869.db2.gz	IHDICEJPZXEUAN-UHFFFAOYSA-O	0	3	262.289	2.135	1	5		CEBFHN
O=[N+]([O-])c1cccc(OC[C@@H]2CC3CCN2CC3)c1	ZINC000103293391	185827039	/nfs/dbraw/zinc/82/70/39/185827039.db2.gz	XQZOCCXVRTXGTP-ZDUSSCGKSA-N	0	3	262.309	2.458	1	5		CEBFHN
CC(C)N[C@@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@H]1O	ZINC000029343110	171595086	/nfs/dbraw/zinc/59/50/86/171595086.db2.gz	QDAOKPLENAXFPO-OLZOCXBDSA-N	0	3	280.324	2.166	1	5		CEBFHN
C[N+](C)(C)CCc1ccc([O-])c(Br)c1	ZINC000013351916	717107997	/nfs/dbraw/zinc/10/79/97/717107997.db2.gz	ZMDXAPFQRYVLBG-UHFFFAOYSA-O	0	3	259.167	2.403	1	5		CEBFHN
CC1(C)Oc2cc([N+](=O)[O-])ccc2[C@H](N2CCCC2)[C@@H]1O	ZINC000040466038	174275192	/nfs/dbraw/zinc/27/51/92/174275192.db2.gz	QDUAMNFOOBFKSR-KBPBESRZSA-N	0	3	292.335	2.264	1	5		CEBFHN
COC(=O)N[C@@H](/C=C/c1ccccc1)C(C)[N+](=O)[O-]	ZINC000008689923	170345911	/nfs/dbraw/zinc/34/59/11/170345911.db2.gz	YVFIIQQZKVYICX-QMTFQVMMSA-N	0	3	264.281	2.090	1	5		CEBFHN
C[N+]1(C)C[C@@H]2CCCN3CCC[C@H]([C@H]1CCCC(=O)[O-])[C@H]23	ZINC000072105433	176316307	/nfs/dbraw/zinc/31/63/07/176316307.db2.gz	KPOHZKKPTZBYEU-HWMZRRJGSA-O	0	3	295.447	2.191	1	5		CEBFHN
COc1ccc(C2=[N+]([O-])c3cc([N+](=O)[O-])ccc3C2=O)cc1	ZINC000045291481	175353896	/nfs/dbraw/zinc/35/38/96/175353896.db2.gz	XBXXLZBNECCWAJ-UHFFFAOYSA-N	0	3	298.254	2.431	1	5		CEBFHN
COc1ccc(C2=C([O-])c3ccc([N+](=O)[O-])cc3[N+]2=O)cc1	ZINC000045291481	175353897	/nfs/dbraw/zinc/35/38/97/175353897.db2.gz	XBXXLZBNECCWAJ-UHFFFAOYSA-N	0	3	298.254	2.431	1	5		CEBFHN