smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C/c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000004877162	204171917	/nfs/dbraw/zinc/17/19/17/204171917.db2.gz	VOCVPDMLBGGHDW-XCVCLJGOSA-N	1	1	367.796	4.040	40	5		FIBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000038859762	205044039	/nfs/dbraw/zinc/04/40/39/205044039.db2.gz	IRIORMKLBAUBKP-OAHLLOKOSA-N	1	1	367.449	4.387	40	5		FIBBMO
Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000030945848	571349885	/nfs/dbraw/zinc/34/98/85/571349885.db2.gz	IFJRNYUQOKVNED-UHFFFAOYSA-N	1	1	370.796	4.054	40	5		FIBBMO
O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000008436120	207234139	/nfs/dbraw/zinc/23/41/39/207234139.db2.gz	FHVWXEHVQVGSRS-UHFFFAOYSA-N	1	1	351.406	4.257	40	5		FIBBMO
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000038853959	208209301	/nfs/dbraw/zinc/20/93/01/208209301.db2.gz	QNMRKZONWZRTBF-OAHLLOKOSA-N	1	1	353.422	4.079	40	5		FIBBMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006494949	207142138	/nfs/dbraw/zinc/14/21/38/207142138.db2.gz	CKQUGTLMDCGMRA-INIZCTEOSA-N	1	1	368.433	4.326	40	5		FIBBMO
Cc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCC2)cc1	ZINC000008411756	207232928	/nfs/dbraw/zinc/23/29/28/207232928.db2.gz	PRDULRVQZSZJBO-UHFFFAOYSA-N	1	1	351.406	4.175	40	5		FIBBMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005187344	570629337	/nfs/dbraw/zinc/62/93/37/570629337.db2.gz	CKQUGTLMDCGMRA-MRXNPFEDSA-N	1	1	368.433	4.326	40	5		FIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038853865	571051405	/nfs/dbraw/zinc/05/14/05/571051405.db2.gz	QGRJIPUHLXUITJ-HNNXBMFYSA-N	1	1	373.840	4.099	40	5		FIBBMO
O=C(CN(c1ccccc1)C1=[NH+]CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000008436126	210097812	/nfs/dbraw/zinc/09/78/12/210097812.db2.gz	XRQNZVZROXAXBU-UHFFFAOYSA-N	1	1	351.406	4.257	40	5		FIBBMO
Cc1ccccc1N(CC(=O)c1cccc([N+](=O)[O-])c1)C1=[NH+]CCCC1	ZINC000008415754	571045759	/nfs/dbraw/zinc/04/57/59/571045759.db2.gz	HZRLQDJXVURAOE-UHFFFAOYSA-N	1	1	351.406	4.175	40	5		FIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1	ZINC000038853879	571051516	/nfs/dbraw/zinc/05/15/16/571051516.db2.gz	KTVRVSGAOZHGJH-HNNXBMFYSA-N	1	1	373.840	4.099	40	5		FIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1	ZINC000038853876	571051384	/nfs/dbraw/zinc/05/13/84/571051384.db2.gz	KTVRVSGAOZHGJH-OAHLLOKOSA-N	1	1	373.840	4.099	40	5		FIBBMO
CCc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=[NH+]CCCC2)cc1	ZINC000006870968	571251853	/nfs/dbraw/zinc/25/18/53/571251853.db2.gz	MHQZQIOFTYMFKV-UHFFFAOYSA-N	1	1	365.433	4.429	40	5		FIBBMO
Nc1nc(N)c(-c2ccc(Cl)cc2)c(/C=C\c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000017418887	220215538	/nfs/dbraw/zinc/21/55/38/220215538.db2.gz	VOCVPDMLBGGHDW-KMKOMSMNSA-N	1	1	367.796	4.040	40	5		FIBBMO
Cc1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000020455446	263380011	/nfs/dbraw/zinc/38/00/11/263380011.db2.gz	VOUJJJSHRGUEJO-OAHLLOKOSA-N	1	1	367.449	4.387	40	5		FIBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000038859758	571051968	/nfs/dbraw/zinc/05/19/68/571051968.db2.gz	IRIORMKLBAUBKP-HNNXBMFYSA-N	1	1	367.449	4.387	40	5		FIBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000038853868	571051568	/nfs/dbraw/zinc/05/15/68/571051568.db2.gz	QGRJIPUHLXUITJ-OAHLLOKOSA-N	1	1	373.840	4.099	40	5		FIBBMO
Cc1c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cccc1[N+](=O)[O-]	ZINC000020455448	263380433	/nfs/dbraw/zinc/38/04/33/263380433.db2.gz	VOUJJJSHRGUEJO-HNNXBMFYSA-N	1	1	367.449	4.387	40	5		FIBBMO
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C1	ZINC000038853961	571051456	/nfs/dbraw/zinc/05/14/56/571051456.db2.gz	QNMRKZONWZRTBF-HNNXBMFYSA-N	1	1	353.422	4.079	40	5		FIBBMO