smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC[NH+](C)CC1	ZINC000063120738	184271862	/nfs/dbraw/zinc/27/18/62/184271862.db2.gz	BQEOFSBMCHFJEB-UHFFFAOYSA-N	1	3	311.813	3.022	10	5		DGBEHO
CCC[NH+]1CCC(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000173387180	432275290	/nfs/dbraw/zinc/27/52/90/432275290.db2.gz	JJUKGGZHKSWGCS-AWEZNQCLSA-N	1	3	305.422	3.367	10	5		DGBEHO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+](C)C)CC1	ZINC000067457428	432031301	/nfs/dbraw/zinc/03/13/01/432031301.db2.gz	QWXHGFVRSQFTQG-CQSZACIVSA-N	1	3	305.422	3.320	10	5		DGBEHO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000261829871	290251359	/nfs/dbraw/zinc/25/13/59/290251359.db2.gz	BMLYHLBCYKTZKA-CXAGYDPISA-N	1	3	303.406	3.120	10	5		DGBEHO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1	ZINC000261829882	296234316	/nfs/dbraw/zinc/23/43/16/296234316.db2.gz	BMLYHLBCYKTZKA-SUMWQHHRSA-N	1	3	303.406	3.120	10	5		DGBEHO
CCC[NH+]1CCC(CN[C@H](C)c2cccc([N+](=O)[O-])c2)CC1	ZINC000173387188	432275099	/nfs/dbraw/zinc/27/50/99/432275099.db2.gz	JJUKGGZHKSWGCS-CQSZACIVSA-N	1	3	305.422	3.367	10	5		DGBEHO
CC[NH+](CC)CC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1	ZINC000506852038	294277700	/nfs/dbraw/zinc/27/77/00/294277700.db2.gz	TVNVSJHFKLKXDM-UHFFFAOYSA-N	1	3	319.449	3.457	10	5		DGBEHO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+](C)C)CC1	ZINC000067457426	432031457	/nfs/dbraw/zinc/03/14/57/432031457.db2.gz	QWXHGFVRSQFTQG-AWEZNQCLSA-N	1	3	305.422	3.320	10	5		DGBEHO
C[NH+]1CCC(CCNCc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000105454829	194104161	/nfs/dbraw/zinc/10/41/61/194104161.db2.gz	BHGMNZBVWVMDTC-UHFFFAOYSA-N	1	3	311.813	3.070	10	5		DGBEHO
Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[NH+]2CCCC2)CC1	ZINC000183265828	432276954	/nfs/dbraw/zinc/27/69/54/432276954.db2.gz	KFDYGGUNJWMBJG-UHFFFAOYSA-N	1	3	317.433	3.211	10	5		DGBEHO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000261829879	287145001	/nfs/dbraw/zinc/14/50/01/287145001.db2.gz	BMLYHLBCYKTZKA-GUYCJALGSA-N	1	3	303.406	3.120	10	5		DGBEHO
Cc1cc([N+](=O)[O-])ccc1CN1CCC(CC[NH+](C)C)CC1	ZINC000183294630	432280873	/nfs/dbraw/zinc/28/08/73/432280873.db2.gz	AUTZQWPHCKJAQW-UHFFFAOYSA-N	1	3	305.422	3.067	10	5		DGBEHO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1	ZINC000261829875	290250550	/nfs/dbraw/zinc/25/05/50/290250550.db2.gz	BMLYHLBCYKTZKA-DYVFJYSZSA-N	1	3	303.406	3.120	10	5		DGBEHO
Cc1cc([N+](=O)[O-])ccc1CN1CCC(CCC[NH+](C)C)CC1	ZINC000183371991	323335455	/nfs/dbraw/zinc/33/54/55/323335455.db2.gz	VIDJOEZEGAOTIX-UHFFFAOYSA-N	1	3	319.449	3.457	10	5		DGBEHO