smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O	ZINC000022913966	556328224	/nfs/dbraw/zinc/32/82/24/556328224.db2.gz	XBCHWAJOVFEHOL-UHFFFAOYSA-N	1	1	443.526	0.123	40	5		ICBBMO
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(C)(=O)=O	ZINC000022913983	556328351	/nfs/dbraw/zinc/32/83/51/556328351.db2.gz	YENJKXBDFGBHOG-UHFFFAOYSA-N	1	1	427.527	0.423	40	5		ICBBMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CC(N)=O)c2ccccc2NC1=O	ZINC000033722722	525566411	/nfs/dbraw/zinc/56/64/11/525566411.db2.gz	QWDFWGBBKHHBQF-XKTJCTHUSA-N	1	1	449.423	0.704	40	5		ICBBMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](CC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@@H]2C1=O	ZINC000033722725	556627215	/nfs/dbraw/zinc/62/72/15/556627215.db2.gz	QWDFWGBBKHHBQF-HPXJRWHBSA-N	1	1	449.423	0.704	40	5		ICBBMO
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O	ZINC000101342563	557273395	/nfs/dbraw/zinc/27/33/95/557273395.db2.gz	QWDFWGBBKHHBQF-NMZZKHSVSA-N	1	1	449.423	0.704	40	5		ICBBMO
Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000220391980	557135594	/nfs/dbraw/zinc/13/55/94/557135594.db2.gz	ZJDDNSRBYBSEMA-HNNXBMFYSA-N	1	1	428.511	0.896	40	5		ICBBMO
Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000220392037	557135643	/nfs/dbraw/zinc/13/56/43/557135643.db2.gz	ZJDDNSRBYBSEMA-OAHLLOKOSA-N	1	1	428.511	0.896	40	5		ICBBMO
CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1	ZINC000222365277	568638364	/nfs/dbraw/zinc/63/83/64/568638364.db2.gz	QTRFPKNEPDMCLZ-UHFFFAOYSA-N	1	1	428.511	0.980	40	5		ICBBMO
CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525779	568650297	/nfs/dbraw/zinc/65/02/97/568650297.db2.gz	JWEQDCRSTMDGHB-KRWDZBQOSA-N	1	1	428.511	0.978	40	5		ICBBMO
CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000222525846	568650282	/nfs/dbraw/zinc/65/02/82/568650282.db2.gz	JWEQDCRSTMDGHB-QGZVFWFLSA-N	1	1	428.511	0.978	40	5		ICBBMO
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	ZINC000408601620	557420830	/nfs/dbraw/zinc/42/08/30/557420830.db2.gz	AWGOXYDGWOJOIM-UHFFFAOYSA-N	1	1	430.483	0.208	40	5		ICBBMO