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(C(=O)[O-])cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c1	ZINC000002940304	132260165	/nfs/dbraw/zinc/26/01/65/132260165.db2.gz	UYMLFYRLDJCESF-UHFFFAOYSA-N	-2	0	406.306	2.945	50	5		HFBARL
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000018196067	560782480	/nfs/dbraw/zinc/78/24/80/560782480.db2.gz	BYBJBGXPCIFJCZ-UHFFFAOYSA-N	-2	0	416.371	2.598	50	5		HFBARL
O=C([O-])C1(C(=O)[O-])Cc2c(ccc([N+](=O)[O-])c2N2CCCCC2)N2CCCC[C@@H]21	ZINC000006662770	569085874	/nfs/dbraw/zinc/08/58/74/569085874.db2.gz	MFNGEUALTRTGRM-MRXNPFEDSA-N	-2	0	403.435	2.656	50	5		HFBARL
Cc1cccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)c1	ZINC000009295550	571245814	/nfs/dbraw/zinc/24/58/14/571245814.db2.gz	UFHAGHZYSFTKAQ-JXMROGBWSA-N	-2	0	422.397	2.880	50	5		HFBARL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1	ZINC000006089030	568995395	/nfs/dbraw/zinc/99/53/95/568995395.db2.gz	RXNNDJRFAHJSAM-UHFFFAOYSA-N	-2	0	424.412	2.501	50	5		HFBARL
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCC1	ZINC000012507969	568839927	/nfs/dbraw/zinc/83/99/27/568839927.db2.gz	MKSAEYMKMIYLDL-UHFFFAOYSA-N	-2	0	405.432	2.727	50	5		HFBARL
O=C(COc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1)Nc1ccccc1	ZINC000009186407	571234919	/nfs/dbraw/zinc/23/49/19/571234919.db2.gz	OKNUCUOVJMPZDI-ZHACJKMWSA-N	-2	0	408.370	2.572	50	5		HFBARL
O=C([O-])c1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)cc1Cl	ZINC000005063144	559239362	/nfs/dbraw/zinc/23/93/62/559239362.db2.gz	JXXCOXAGQKJLCL-GORDUTHDSA-N	-2	0	403.734	2.753	50	5		HFBARL
O=C([O-])C1(C(=O)[O-])Cc2c(ccc([N+](=O)[O-])c2N2CCCCC2)N2CCCC[C@H]21	ZINC000006662771	569085887	/nfs/dbraw/zinc/08/58/87/569085887.db2.gz	MFNGEUALTRTGRM-INIZCTEOSA-N	-2	0	403.435	2.656	50	5		HFBARL
O=C(COc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1)Nc1ccccc1	ZINC000013483368	558653441	/nfs/dbraw/zinc/65/34/41/558653441.db2.gz	OKNUCUOVJMPZDI-KHPPLWFESA-N	-2	0	408.370	2.572	50	5		HFBARL
COc1ccc(C(=O)Oc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)cc1	ZINC000016361656	571313540	/nfs/dbraw/zinc/31/35/40/571313540.db2.gz	UXCOAHQBBPAGAK-WCIBSUBMSA-N	-2	0	409.354	2.782	50	5		HFBARL
Cc1cccc(NC(=O)COc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)cc2)c1	ZINC000013847646	558886859	/nfs/dbraw/zinc/88/68/59/558886859.db2.gz	UFHAGHZYSFTKAQ-YFHOEESVSA-N	-2	0	422.397	2.880	50	5		HFBARL
O=C([O-])C(Cc1c2ccccc2c(CC(C(=O)[O-])C(=O)[O-])c2ccccc21)C(=O)[O-]	ZINC000002384206	557342704	/nfs/dbraw/zinc/34/27/04/557342704.db2.gz	DNUYOWCKBJFOGS-UHFFFAOYSA-N	-4	0	410.378	2.649	50	5	in-vitro	HFBARL
O=C([O-])c1cc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	ZINC000006480352	569059218	/nfs/dbraw/zinc/05/92/18/569059218.db2.gz	JLYPAIQSUYMBRQ-GORDUTHDSA-N	-2	0	403.734	2.753	50	5		HFBARL
COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc([N+](=O)[O-])c1[O-]	ZINC000008748960	571110537	/nfs/dbraw/zinc/11/05/37/571110537.db2.gz	RTKATCXATHLTGO-WCIBSUBMSA-N	-2	0	417.761	2.981	50	5		HFBARL