smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ncnc([N-]c2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588866	213355541	/nfs/dbraw/zinc/35/55/41/213355541.db2.gz	JFXODMPZRBSYGM-UHFFFAOYSA-N	-1	1	328.250	3.546	10	5		EHBEMM
Cc1ccc(Oc2[n-]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624636	213361091	/nfs/dbraw/zinc/36/10/91/213361091.db2.gz	BXFPXYMDDLUGGC-UHFFFAOYSA-N	-1	1	337.339	3.925	10	5		EHBEMM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1N1CCCCCC1	ZINC000040610135	213358521	/nfs/dbraw/zinc/35/85/21/213358521.db2.gz	GCLOBSKRRPXCSU-UHFFFAOYSA-N	-1	1	349.341	3.787	10	5		EHBEMM
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000588447125	1022621281	/nfs/dbraw/zinc/62/12/81/1022621281.db2.gz	HCYGTXDNRGOKTR-NTMALXAHSA-N	-1	1	332.743	3.996	10	5		EHBEMM
Cc1ccc2cccc([N-]c3ncnc(OC(C)C)c3[N+](=O)[O-])c2n1	ZINC000040626827	213361021	/nfs/dbraw/zinc/36/10/21/213361021.db2.gz	RGLYWCYFZWHMTL-UHFFFAOYSA-N	-1	1	339.355	3.772	10	5		EHBEMM
O=[N+]([O-])c1c([N-]c2ccc(F)cc2F)ncnc1Oc1cccnc1	ZINC000040660439	213364900	/nfs/dbraw/zinc/36/49/00/213364900.db2.gz	JHOLDESUEZSCLK-UHFFFAOYSA-N	-1	1	345.265	3.594	10	5		EHBEMM
O=[N+]([O-])c1c(N2CCc3ccccc32)[n-]cnc1=NNc1ccccc1	ZINC000040586118	213355796	/nfs/dbraw/zinc/35/57/96/213355796.db2.gz	HOZDFEOVAMKCCT-UHFFFAOYSA-N	-1	1	348.366	3.518	10	5		EHBEMM
CCOc1ncnc([N-]c2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040646729	213364170	/nfs/dbraw/zinc/36/41/70/213364170.db2.gz	OBUCNRBDKZHOKR-UHFFFAOYSA-N	-1	1	329.143	3.834	10	5		EHBEMM
O=[N+]([O-])c1c(Nc2ccccc2F)[n-]cnc1=NNc1ccccc1	ZINC000040624385	213360066	/nfs/dbraw/zinc/36/00/66/213360066.db2.gz	SLYMGGYHZLAMHV-UHFFFAOYSA-N	-1	1	340.318	3.707	10	5		EHBEMM
CN(c1ccccc1)c1[n-]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040624370	213358968	/nfs/dbraw/zinc/35/89/68/213358968.db2.gz	GQDQCSSVSQHDSP-UHFFFAOYSA-N	-1	1	336.355	3.592	10	5		EHBEMM
CCN(c1cccc(C)c1)c1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040572517	213352037	/nfs/dbraw/zinc/35/20/37/213352037.db2.gz	MVQZHTUSICQEMS-UHFFFAOYSA-N	-1	1	344.419	3.566	10	5		EHBEMM
CCOc1ncnc([N-]c2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040646599	213364161	/nfs/dbraw/zinc/36/41/61/213364161.db2.gz	HQVZOQVIUOOPKQ-UHFFFAOYSA-N	-1	1	329.143	3.834	10	5		EHBEMM
O=[N+]([O-])c1c(Cl)ncnc1[N-]c1ccc(Br)cc1F	ZINC000040571466	213352337	/nfs/dbraw/zinc/35/23/37/213352337.db2.gz	ASSVUVVSMIZERJ-UHFFFAOYSA-N	-1	1	347.531	3.683	10	5		EHBEMM
Cc1ccc([N-]c2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])nc1	ZINC000040627751	213361102	/nfs/dbraw/zinc/36/11/02/213361102.db2.gz	GBYRPCSOTBVCDR-UHFFFAOYSA-N	-1	1	340.318	3.715	10	5		EHBEMM
Cc1ccc(Sc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040650333	213364385	/nfs/dbraw/zinc/36/43/85/213364385.db2.gz	BQYFGIIDWGUPMY-UHFFFAOYSA-N	-1	1	333.417	3.559	10	5		EHBEMM
Cc1ccc(Nc2ncnc([N-]c3ccc(C)cn3)c2[N+](=O)[O-])cc1	ZINC000040648997	213363933	/nfs/dbraw/zinc/36/39/33/213363933.db2.gz	ILCLXCCJZLNTFA-UHFFFAOYSA-N	-1	1	336.355	3.884	10	5		EHBEMM
Cc1cc(C)cc(Oc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1	ZINC000040582816	213353469	/nfs/dbraw/zinc/35/34/69/213353469.db2.gz	BRCRLUQCHMZPIC-UHFFFAOYSA-N	-1	1	331.376	3.509	10	5		EHBEMM
O=[N+]([O-])c1c([N-]c2cc(F)ccc2F)ncnc1NC1CCCC1	ZINC000040661020	213365500	/nfs/dbraw/zinc/36/55/00/213365500.db2.gz	XQAPGSNISJECMF-UHFFFAOYSA-N	-1	1	335.314	3.761	10	5		EHBEMM
CC(C)Oc1ncnc([N-]c2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588868	213355854	/nfs/dbraw/zinc/35/58/54/213355854.db2.gz	HFSTVAGNGVNHTC-UHFFFAOYSA-N	-1	1	342.277	3.934	10	5		EHBEMM