smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000012477335	204414605	/nfs/dbraw/zinc/41/46/05/204414605.db2.gz	WLWBYEOCAYWKOU-INIZCTEOSA-N	-1	0	392.371	3.350	3	5		GGBFRM
COc1cc(C2=NN(C)[C@H](c3ccc([N+](=O)[O-])c([O-])c3)C2)cc(OC)c1OC	ZINC000049047871	205125743	/nfs/dbraw/zinc/12/57/43/205125743.db2.gz	RMDMNCRZSLDNOA-HNNXBMFYSA-N	-1	0	387.392	3.107	1	5		GGBFRM
O=C1NC(=O)C(c2cccc([N+](=O)[O-])c2)=C1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000014946011	207032152	/nfs/dbraw/zinc/03/21/52/207032152.db2.gz	QOJSERWVVHZZPL-UHFFFAOYSA-N	-1	0	394.170	3.087	1	5		GGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F	ZINC000027555784	207327792	/nfs/dbraw/zinc/32/77/92/207327792.db2.gz	WKMQFZVGKFJKRI-JTQLQIEISA-N	-1	0	379.319	3.380	1	5		GGBFRM
COc1cc(OC)c2c(c1)O[C@@H](c1cc(OC)c([O-])c([N+](=O)[O-])c1)CC2=O	ZINC000098083396	208367053	/nfs/dbraw/zinc/36/70/53/208367053.db2.gz	GHIOPBFGGRYJLA-CYBMUJFWSA-N	-1	0	375.333	3.033	1	5		GGBFRM
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000014946008	210131532	/nfs/dbraw/zinc/13/15/32/210131532.db2.gz	IYVZGXAXYHRGQR-UHFFFAOYSA-N	-1	0	394.170	3.087	1	5		GGBFRM
CCC[C@H](c1ccncc1)n1[n-]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	ZINC000013553701	210066684	/nfs/dbraw/zinc/06/66/84/210066684.db2.gz	UTPVJOARSWZOTE-OAHLLOKOSA-N	-1	0	396.834	3.382	1	5		GGBFRM
O=C1NC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000014946014	221319531	/nfs/dbraw/zinc/31/95/31/221319531.db2.gz	YTOGUEKUZBZZGH-UHFFFAOYSA-N	-1	0	394.170	3.087	1	5		GGBFRM
O=c1nc2n(-c3cccc(F)c3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[n-]1	ZINC000028642481	221682025	/nfs/dbraw/zinc/68/20/25/221682025.db2.gz	MTXOSIIDDJPDHH-UHFFFAOYSA-N	-1	0	375.281	3.337	1	5		GGBFRM
COc1nc2c(c(=O)[n-]1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1ccccc1)N2	ZINC000005542974	204138364	/nfs/dbraw/zinc/13/83/64/204138364.db2.gz	FGYQVLHXVKAVJJ-MRXNPFEDSA-N	-1	0	391.387	3.364	1	5		GGBFRM
O=C1[N-]S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])c2c3ccccc3sc21	ZINC000013805292	207000526	/nfs/dbraw/zinc/00/05/26/207000526.db2.gz	MSRLYQCTTBQNDP-UHFFFAOYSA-N	-1	0	389.414	3.379	1	5		GGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1F	ZINC000013863187	207002196	/nfs/dbraw/zinc/00/21/96/207002196.db2.gz	ZYDZUSKTYDKDEA-JTQLQIEISA-N	-1	0	379.319	3.380	1	5		GGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]	ZINC000013863191	207002451	/nfs/dbraw/zinc/00/24/51/207002451.db2.gz	GCSWWBGLMXIIHD-NSHDSACASA-N	-1	0	377.378	3.485	1	5		GGBFRM
O=c1nc2n(-c3ccccc3F)c3c(cccc3C(F)(F)F)cc-2c(=O)[n-]1	ZINC000028642625	207346580	/nfs/dbraw/zinc/34/65/80/207346580.db2.gz	GPLTYGCKLHDIOO-UHFFFAOYSA-N	-1	0	375.281	3.337	1	5		GGBFRM
O=C([O-])c1cc(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2Cc1ccncc1	ZINC000095582236	208237338	/nfs/dbraw/zinc/23/73/38/208237338.db2.gz	PNJIJLFWBRAQGG-UHFFFAOYSA-N	-1	0	375.344	3.148	1	5		GGBFRM
O=c1nc2n(-c3ccccc3F)c3cc(C(F)(F)F)ccc3cc-2c(=O)[n-]1	ZINC000096286455	208302606	/nfs/dbraw/zinc/30/26/06/208302606.db2.gz	RXVPFWHBXQPMFQ-UHFFFAOYSA-N	-1	0	375.281	3.337	1	5		GGBFRM
COc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)n1[n-]c(C)cc1=O	ZINC000098082244	208367184	/nfs/dbraw/zinc/36/71/84/208367184.db2.gz	MZUJNXSPZIVFAB-UHFFFAOYSA-N	-1	0	388.383	3.221	1	5		GGBFRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	ZINC000103181228	208417944	/nfs/dbraw/zinc/41/79/44/208417944.db2.gz	FIXONBUFLFOCSD-UHFFFAOYSA-N	-1	0	391.283	3.323	1	5		GGBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])Sc1ccc([N+](=O)[O-])cc1	ZINC000013863190	210095259	/nfs/dbraw/zinc/09/52/59/210095259.db2.gz	CHEKKGBWGZRBNR-NSHDSACASA-N	-1	0	377.378	3.485	1	5		GGBFRM
COc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)c1n[n-]c(=S)o1	ZINC000098082446	211378399	/nfs/dbraw/zinc/37/83/99/211378399.db2.gz	HBHYNSPQYRNENH-UHFFFAOYSA-N	-1	0	392.396	3.379	1	5		GGBFRM
O=C([O-])c1cn(-c2ccc([N+](=O)[O-])cc2)c2cc(N3CCCC3)c(F)cc2c1=O	ZINC000027098175	210510238	/nfs/dbraw/zinc/51/02/38/210510238.db2.gz	GXOBVGSCXNNAMW-UHFFFAOYSA-N	-1	0	397.362	3.336	1	5		GGBFRM
CCC[C@@H](c1ccncc1)n1[n-]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	ZINC000013553700	221273040	/nfs/dbraw/zinc/27/30/40/221273040.db2.gz	UTPVJOARSWZOTE-HNNXBMFYSA-N	-1	0	396.834	3.382	1	5		GGBFRM
O=C([O-])/C=C/C(=O)n1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21	ZINC000045299944	221961540	/nfs/dbraw/zinc/96/15/40/221961540.db2.gz	ZNEYTFVWXIBMDW-CMDGGOBGSA-N	-1	0	379.328	3.083	1	5		GGBFRM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1	ZINC000103185770	222491017	/nfs/dbraw/zinc/49/10/17/222491017.db2.gz	NPCOBDSVUCKUFP-UHFFFAOYSA-N	-1	0	391.283	3.323	1	5		GGBFRM