smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1	ZINC000016695791	570494710	/nfs/dbraw/zinc/49/47/10/570494710.db2.gz	HXQSQVDHMJVGOF-QGZVFWFLSA-N	1	1	397.475	4.667	50	5		GJBAMO
C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1	ZINC000016695791	570494713	/nfs/dbraw/zinc/49/47/13/570494713.db2.gz	HXQSQVDHMJVGOF-QGZVFWFLSA-N	1	1	397.475	4.667	50	5		GJBAMO
Cc1[nH+]ccn1Cc1cccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000036393973	570678797	/nfs/dbraw/zinc/67/87/97/570678797.db2.gz	ZVSZYDQHQDLATH-UHFFFAOYSA-N	1	1	390.365	4.779	50	5		GJBAMO
CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000036347807	570630213	/nfs/dbraw/zinc/63/02/13/570630213.db2.gz	XCAPJAXEWCOEBO-QHCPKHFHSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000036347807	570630214	/nfs/dbraw/zinc/63/02/14/570630214.db2.gz	XCAPJAXEWCOEBO-QHCPKHFHSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036348041	570630796	/nfs/dbraw/zinc/63/07/96/570630796.db2.gz	NMCDZOWGTWPPNV-HSZRJFAPSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036348041	570630798	/nfs/dbraw/zinc/63/07/98/570630798.db2.gz	NMCDZOWGTWPPNV-HSZRJFAPSA-N	1	1	375.472	4.954	50	5		GJBAMO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)o1	ZINC000004980380	204100267	/nfs/dbraw/zinc/10/02/67/204100267.db2.gz	QJZXQDWYJNMYAR-UHFFFAOYSA-N	1	1	397.862	4.830	50	5		GJBAMO
CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347769	205012307	/nfs/dbraw/zinc/01/23/07/205012307.db2.gz	FUXIXUUIGQQZCZ-QHCPKHFHSA-N	1	1	391.471	4.790	50	5		GJBAMO
CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347769	205012309	/nfs/dbraw/zinc/01/23/09/205012309.db2.gz	FUXIXUUIGQQZCZ-QHCPKHFHSA-N	1	1	391.471	4.790	50	5		GJBAMO
Cc1cc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)ccc1[N+](=O)[O-]	ZINC000054011231	570437069	/nfs/dbraw/zinc/43/70/69/570437069.db2.gz	ZBGVUHHMNNWXJW-UHFFFAOYSA-N	1	1	378.432	4.524	50	5		GJBAMO
C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000032900656	570894896	/nfs/dbraw/zinc/89/48/96/570894896.db2.gz	JICHATDXTPKLNB-UHFFFAOYSA-N	1	1	381.476	4.541	50	5		GJBAMO
CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000036347808	205012414	/nfs/dbraw/zinc/01/24/14/205012414.db2.gz	XCAPJAXEWCOEBO-HSZRJFAPSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000036347808	205012419	/nfs/dbraw/zinc/01/24/19/205012419.db2.gz	XCAPJAXEWCOEBO-HSZRJFAPSA-N	1	1	375.472	4.954	50	5		GJBAMO
O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1	ZINC000004980411	570385884	/nfs/dbraw/zinc/38/58/84/570385884.db2.gz	DYAMLQRCBGEWJB-UHFFFAOYSA-N	1	1	397.862	4.830	50	5		GJBAMO
CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000036347314	570628635	/nfs/dbraw/zinc/62/86/35/570628635.db2.gz	MQYWRRXMTOONSS-QHCPKHFHSA-N	1	1	375.472	4.954	50	5		GJBAMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1	ZINC000016695792	221369195	/nfs/dbraw/zinc/36/91/95/221369195.db2.gz	HXQSQVDHMJVGOF-KRWDZBQOSA-N	1	1	397.475	4.667	50	5		GJBAMO
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1	ZINC000016695792	221369198	/nfs/dbraw/zinc/36/91/98/221369198.db2.gz	HXQSQVDHMJVGOF-KRWDZBQOSA-N	1	1	397.475	4.667	50	5		GJBAMO
O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000052537468	570752709	/nfs/dbraw/zinc/75/27/09/570752709.db2.gz	XMBJEEIWJKXAGN-UHFFFAOYSA-N	1	1	395.846	4.566	50	5		GJBAMO
CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000036347315	570628736	/nfs/dbraw/zinc/62/87/36/570628736.db2.gz	MQYWRRXMTOONSS-HSZRJFAPSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCOc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347770	570630371	/nfs/dbraw/zinc/63/03/71/570630371.db2.gz	FUXIXUUIGQQZCZ-HSZRJFAPSA-N	1	1	391.471	4.790	50	5		GJBAMO
CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000036347770	570630375	/nfs/dbraw/zinc/63/03/75/570630375.db2.gz	FUXIXUUIGQQZCZ-HSZRJFAPSA-N	1	1	391.471	4.790	50	5		GJBAMO
CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036348042	570630732	/nfs/dbraw/zinc/63/07/32/570630732.db2.gz	NMCDZOWGTWPPNV-QHCPKHFHSA-N	1	1	375.472	4.954	50	5		GJBAMO
CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000036348042	570630734	/nfs/dbraw/zinc/63/07/34/570630734.db2.gz	NMCDZOWGTWPPNV-QHCPKHFHSA-N	1	1	375.472	4.954	50	5		GJBAMO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1[nH+]ccn1Cc1ccccc1	ZINC000012551574	221204907	/nfs/dbraw/zinc/20/49/07/221204907.db2.gz	CQNBWKUWCYFPPC-UHFFFAOYSA-N	1	1	390.365	4.513	50	5		GJBAMO
C[N@@H+](Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000032903621	570900414	/nfs/dbraw/zinc/90/04/14/570900414.db2.gz	ANRSWLLNFOIUAJ-UHFFFAOYSA-N	1	1	381.476	4.541	50	5		GJBAMO
CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Cl)c1	ZINC000059038105	222055704	/nfs/dbraw/zinc/05/57/04/222055704.db2.gz	POFKRIHKFYGUSD-UHFFFAOYSA-N	1	1	386.839	4.709	50	5		GJBAMO
CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1cccc(Cl)c1	ZINC000059038105	222055705	/nfs/dbraw/zinc/05/57/05/222055705.db2.gz	POFKRIHKFYGUSD-UHFFFAOYSA-N	1	1	386.839	4.709	50	5		GJBAMO