smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1	ZINC000588437491	842720254	/nfs/dbraw/zinc/72/02/54/842720254.db2.gz	SSWNIAUMIYLBON-QBFSEMIESA-N	-1	3	390.399	3.696	10	5		GHBEHM
O=C([N-]c1c([N+](=O)[O-])cc(Br)cc1C(F)(F)F)C(F)(F)F	ZINC000072265924	570654371	/nfs/dbraw/zinc/65/43/71/570654371.db2.gz	RXGADRZNKGETOL-UHFFFAOYSA-N	-1	3	381.026	3.877	10	5		GHBEHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2)n1	ZINC000047329125	840746791	/nfs/dbraw/zinc/74/67/91/840746791.db2.gz	JLAZIJPMKAXDIF-UHFFFAOYSA-N	-1	3	384.779	3.559	10	5		GHBEHM
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1	ZINC000588446960	842874249	/nfs/dbraw/zinc/87/42/49/842874249.db2.gz	KOBIUDWTFPEFQW-FLIBITNWSA-N	-1	3	391.221	3.783	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1	ZINC000095085155	211218565	/nfs/dbraw/zinc/21/85/65/211218565.db2.gz	YFWBXFYQQCBTCD-ZDUSSCGKSA-N	-1	3	390.440	3.887	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1	ZINC000095085155	211218573	/nfs/dbraw/zinc/21/85/73/211218573.db2.gz	YFWBXFYQQCBTCD-ZDUSSCGKSA-N	-1	3	390.440	3.887	10	5		GHBEHM
Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)ccc2[N+](=O)[O-])c1	ZINC000583653006	570803241	/nfs/dbraw/zinc/80/32/41/570803241.db2.gz	TTWMMCODMXSXKU-UHFFFAOYSA-N	-1	3	380.154	3.826	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000095086601	222329900	/nfs/dbraw/zinc/32/99/00/222329900.db2.gz	QACSBKOWKHWDBD-ZDUSSCGKSA-N	-1	3	376.413	3.640	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCCC[C@H]1COc1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000095086601	222329904	/nfs/dbraw/zinc/32/99/04/222329904.db2.gz	QACSBKOWKHWDBD-ZDUSSCGKSA-N	-1	3	376.413	3.640	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000095086600	222330517	/nfs/dbraw/zinc/33/05/17/222330517.db2.gz	QACSBKOWKHWDBD-CYBMUJFWSA-N	-1	3	376.413	3.640	10	5		GHBEHM
CC(C)(C)OC(=O)N1CCCC[C@@H]1COc1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000095086600	222330522	/nfs/dbraw/zinc/33/05/22/222330522.db2.gz	QACSBKOWKHWDBD-CYBMUJFWSA-N	-1	3	376.413	3.640	10	5		GHBEHM
O=C([N-]c1c(Br)cc([N+](=O)[O-])cc1Br)c1ccco1	ZINC000004410218	230834439	/nfs/dbraw/zinc/83/44/39/230834439.db2.gz	DPWZWVRJFOPCSF-UHFFFAOYSA-N	-1	3	389.987	3.965	10	5		GHBEHM