smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([C@@H](Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC	ZINC000001089547	568767755	/nfs/dbraw/zinc/76/77/55/568767755.db2.gz	OKTVLTBEVCFKJH-OAHLLOKOSA-N	0	2	400.258	5.057	40	5		HKBBLN
CCOc1ccc(C(Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC	ZINC000001089547	568767757	/nfs/dbraw/zinc/76/77/57/568767757.db2.gz	OKTVLTBEVCFKJH-OAHLLOKOSA-N	0	2	400.258	5.057	40	5		HKBBLN
CCOc1ccc([C@H](Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC	ZINC000001089548	568767671	/nfs/dbraw/zinc/76/76/71/568767671.db2.gz	OKTVLTBEVCFKJH-HNNXBMFYSA-N	0	2	400.258	5.057	40	5		HKBBLN
CCOc1ccc(C(Cc2cc(Cl)cc(Cl)c2O)[N+](=O)[O-])cc1OCC	ZINC000001089548	568767673	/nfs/dbraw/zinc/76/76/73/568767673.db2.gz	OKTVLTBEVCFKJH-HNNXBMFYSA-N	0	2	400.258	5.057	40	5		HKBBLN
COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(ccc4ccccc43)n2)cc1	ZINC000009239107	557832213	/nfs/dbraw/zinc/83/22/13/557832213.db2.gz	NCILYDWUTCKSKZ-UHFFFAOYSA-N	0	2	406.441	6.639	40	5		HKBBLN
Brc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c32)cc1	ZINC000009239111	557832158	/nfs/dbraw/zinc/83/21/58/557832158.db2.gz	MEUDZCGHVLNFCY-UHFFFAOYSA-N	0	2	410.314	7.485	40	5		HKBBLN
COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ccc4ccccc43)n2)cc1	ZINC000009239127	557832182	/nfs/dbraw/zinc/83/21/82/557832182.db2.gz	NRLRPELCMSIAKZ-UHFFFAOYSA-N	0	2	406.441	6.639	40	5		HKBBLN
CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)[O-])c2cc1C	ZINC000012405229	558398006	/nfs/dbraw/zinc/39/80/06/558398006.db2.gz	ZTKQHJHANLVEBM-SLMZUGIISA-N	0	2	414.505	5.872	40	5		HKBBLN
COc1ccc(NC(=S)Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000016217144	569029925	/nfs/dbraw/zinc/02/99/25/569029925.db2.gz	CBVRIAAFXJJCAV-UHFFFAOYSA-N	0	2	424.503	5.324	40	5		HKBBLN
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000205679450	558970490	/nfs/dbraw/zinc/97/04/90/558970490.db2.gz	VQXWKYIESZNUPC-ONDHQXCVSA-N	0	2	412.467	5.009	40	5		HKBBLN
CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000205679467	558970482	/nfs/dbraw/zinc/97/04/82/558970482.db2.gz	VQXWKYIESZNUPC-BXUJETTOSA-N	0	2	412.467	5.009	40	5		HKBBLN
CC[NH+]=c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc(N(CC)CC)cc3oc-2c1	ZINC000367758884	569387267	/nfs/dbraw/zinc/38/72/67/569387267.db2.gz	MFHNOOSLQRVHRZ-UHFFFAOYSA-N	0	2	414.505	5.670	40	5		HKBBLN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1	ZINC000408706273	559225183	/nfs/dbraw/zinc/22/51/83/559225183.db2.gz	YZLGOFAACXUEFD-UHFFFAOYSA-N	0	2	418.858	5.150	40	5		HKBBLN
Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-]	ZINC000409254510	560703106	/nfs/dbraw/zinc/70/31/06/560703106.db2.gz	DXUCFOKTJBNZRT-UHFFFAOYSA-N	0	2	418.858	5.150	40	5		HKBBLN