smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2sc([N-]c3nc4ccc([N+](=O)[O-])cc4s3)nc2c1	ZINC000005122711	204193445	/nfs/dbraw/zinc/19/34/45/204193445.db2.gz	MDVDDTKBNOUAAF-UHFFFAOYSA-N	-1	0	358.404	4.566	10	5		FJBERM
Cc1ccc(Nc2ncnc([N-]c3ccc(Cl)cn3)c2[N+](=O)[O-])c(C)c1	ZINC000040621026	205073879	/nfs/dbraw/zinc/07/38/79/205073879.db2.gz	WKHTXOQPVNQJKR-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1ccc(Oc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])cc1C	ZINC000040661563	205075417	/nfs/dbraw/zinc/07/54/17/205075417.db2.gz	HKZHNENHLABXLB-UHFFFAOYSA-N	-1	0	371.784	4.586	10	5		FJBERM
Cc1cccnc1[N-]c1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	ZINC000040607591	205073978	/nfs/dbraw/zinc/07/39/78/205073978.db2.gz	UPFTYNMDLWVBPX-UHFFFAOYSA-N	-1	0	373.825	4.636	10	5		FJBERM
Cc1ccc(Oc2ncnc([N-]c3cc(F)ccc3F)c2[N+](=O)[O-])cc1	ZINC000040659798	205076040	/nfs/dbraw/zinc/07/60/40/205076040.db2.gz	IXKYLBJDTIIECO-UHFFFAOYSA-N	-1	0	358.304	4.507	10	5		FJBERM
Cc1ccnc([N-]c2ncnc(Nc3cccc(Cl)c3C)c2[N+](=O)[O-])c1	ZINC000040588148	205072594	/nfs/dbraw/zinc/07/25/94/205072594.db2.gz	AHSRXEGOSZIKQG-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
O=[N+]([O-])c1c([N-]c2nccs2)ncnc1Oc1cccc2ccccc21	ZINC000040583481	205073248	/nfs/dbraw/zinc/07/32/48/205073248.db2.gz	YVHOVGNWQHPKBY-UHFFFAOYSA-N	-1	0	365.374	4.530	10	5		FJBERM
Cc1cccnc1[N-]c1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-]	ZINC000040625987	205075012	/nfs/dbraw/zinc/07/50/12/205075012.db2.gz	FBDWLRNQAMQACW-UHFFFAOYSA-N	-1	0	371.784	4.586	10	5		FJBERM
Cc1ccnc([N-]c2ncnc(Nc3ccc(Cl)cc3C)c2[N+](=O)[O-])c1	ZINC000040588153	205072633	/nfs/dbraw/zinc/07/26/33/205072633.db2.gz	GXQFOXHSUUROFY-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1ccnc([N-]c2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])c1	ZINC000040588154	208256858	/nfs/dbraw/zinc/25/68/58/208256858.db2.gz	HXWFJHMGLQSEMQ-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1cccc([N-]c2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])n1	ZINC000040584522	208256946	/nfs/dbraw/zinc/25/69/46/208256946.db2.gz	VRPVOYQFHPSKCE-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1nc([N-]c2ncnc(Oc3cc(C)cc(C)c3)c2[N+](=O)[O-])sc1C	ZINC000040582726	208257349	/nfs/dbraw/zinc/25/73/49/208257349.db2.gz	GAFXSTWUTICBCN-UHFFFAOYSA-N	-1	0	371.422	4.611	10	5		FJBERM
Cc1cccc([N-]c2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])n1	ZINC000040584516	208256748	/nfs/dbraw/zinc/25/67/48/208256748.db2.gz	YEUNGAKRHDXPIZ-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1cc(C)cc(Oc2ncnc([N-]c3cc(F)ccc3F)c2[N+](=O)[O-])c1	ZINC000040582853	208256932	/nfs/dbraw/zinc/25/69/32/208256932.db2.gz	XCMCAUFTUOFZIV-UHFFFAOYSA-N	-1	0	372.331	4.816	10	5		FJBERM
Cc1ccc(C)c(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])c1	ZINC000040592386	208258458	/nfs/dbraw/zinc/25/84/58/208258458.db2.gz	IFDHMOJQPSTHRG-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1cc(Oc2ncnc([N-]c3ccccn3)c2[N+](=O)[O-])cc(C)c1Cl	ZINC000040646870	220914014	/nfs/dbraw/zinc/91/40/14/220914014.db2.gz	NROMGZVCAOQNLV-UHFFFAOYSA-N	-1	0	371.784	4.586	10	5		FJBERM
Cc1cc(C)cc(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])c1	ZINC000040583120	208256137	/nfs/dbraw/zinc/25/61/37/208256137.db2.gz	KALJHPUKCGXOLN-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1ccnc([N-]c2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])c1	ZINC000040588157	208257401	/nfs/dbraw/zinc/25/74/01/208257401.db2.gz	IAVVAAQXAUTWSY-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1ccc([N-]c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])nc1	ZINC000040607798	208258121	/nfs/dbraw/zinc/25/81/21/208258121.db2.gz	ZXQRWWUKPWVIFF-UHFFFAOYSA-N	-1	0	373.825	4.636	10	5		FJBERM
Cc1ccc(Nc2ncnc([N-]c3cccnc3Cl)c2[N+](=O)[O-])c(C)c1	ZINC000040621383	208258682	/nfs/dbraw/zinc/25/86/82/208258682.db2.gz	WKCCJEQVLPANTB-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
O=C([O-])/C=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	ZINC000077034628	208197988	/nfs/dbraw/zinc/19/79/88/208197988.db2.gz	LAMJOEWYKPPTAJ-UTCJRWHESA-N	-1	0	368.172	4.578	10	5		FJBERM
Cc1cccc([N-]c2ncnc(Nc3ccc(Cl)cc3C)c2[N+](=O)[O-])n1	ZINC000040584514	208256243	/nfs/dbraw/zinc/25/62/43/208256243.db2.gz	INXSLHUIYNIZBV-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
Cc1ccnc([N-]c2ncnc(Nc3cccc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040588226	208258948	/nfs/dbraw/zinc/25/89/48/208258948.db2.gz	SIPCHOFSNGYEQB-UHFFFAOYSA-N	-1	0	372.388	4.729	10	5		FJBERM
O=[N+]([O-])c1c([N-]c2nc3ccccc3s2)ncnc1Oc1ccccc1	ZINC000040645383	220914842	/nfs/dbraw/zinc/91/48/42/220914842.db2.gz	UJVVLBGHDCXLFU-UHFFFAOYSA-N	-1	0	365.374	4.530	10	5		FJBERM
CCc1[nH]c(=S)nc(-c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1[O-]	ZINC000017002073	220200924	/nfs/dbraw/zinc/20/09/24/220200924.db2.gz	SRNJURQJXBKXMK-UHFFFAOYSA-N	-1	0	353.403	4.649	10	5		FJBERM
Cc1ccc(Nc2ncnc([N-]c3ncccc3C)c2[N+](=O)[O-])cc1Cl	ZINC000040590912	208259592	/nfs/dbraw/zinc/25/95/92/208259592.db2.gz	NODXQWMRUJRROB-UHFFFAOYSA-N	-1	0	370.800	4.537	10	5		FJBERM
O=[N+]([O-])c1c(Oc2ccc3ccccc3c2)nc[n-]c1=NNc1ccccc1	ZINC000040586586	208256298	/nfs/dbraw/zinc/25/62/98/208256298.db2.gz	RFHBMZSCMJELMA-UHFFFAOYSA-N	-1	0	373.372	4.769	10	5		FJBERM
CC(C)c1ccc(Oc2nc[n-]c(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040610973	208259657	/nfs/dbraw/zinc/25/96/57/208259657.db2.gz	LACXTKPSFQORHX-UHFFFAOYSA-N	-1	0	365.393	4.740	10	5		FJBERM