smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(Br)cnc1[N-]c1ccc(Cl)cc1F	ZINC000103980796	204091774	/nfs/dbraw/zinc/09/17/74/204091774.db2.gz	BQBDXXFPBHLQEB-UHFFFAOYSA-N	-1	3	346.543	4.288	10	5		EIBEHM
O=C([N-]c1cc(Cl)ccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1	ZINC000037981327	213180812	/nfs/dbraw/zinc/18/08/12/213180812.db2.gz	NYUCRYKTZQVGGC-UHFFFAOYSA-N	-1	3	346.557	4.202	10	5		EIBEHM
CC(C)Oc1ncnc([N-]c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	ZINC000040650227	213363347	/nfs/dbraw/zinc/36/33/47/213363347.db2.gz	FUFXWBUMTCELIS-UHFFFAOYSA-N	-1	3	343.170	4.222	10	5		EIBEHM
Cc1nc(C(=O)[N-]c2ccccc2[N+](=O)[O-])c(-c2ccccc2)s1	ZINC000040326290	213292252	/nfs/dbraw/zinc/29/22/52/213292252.db2.gz	NFARHXQEDKFWBJ-UHFFFAOYSA-N	-1	3	339.376	4.279	10	5		EIBEHM
C[C@@H](Nc1ccc([O-])cc1[N+](=O)[O-])c1sccc1Br	ZINC000037320937	213140063	/nfs/dbraw/zinc/14/00/63/213140063.db2.gz	AFGLQJVBLKNVMH-SSDOTTSWSA-N	-1	3	343.202	4.298	10	5		EIBEHM
O=[N+]([O-])c1ccc(Cl)nc1[N-]c1ccc(Br)cc1F	ZINC000037331631	213140485	/nfs/dbraw/zinc/14/04/85/213140485.db2.gz	OEFGPGOAOKJVJS-UHFFFAOYSA-N	-1	3	346.543	4.288	10	5		EIBEHM
CCCNc1ncnc([N-]c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	ZINC000040596977	213356430	/nfs/dbraw/zinc/35/64/30/213356430.db2.gz	MKSDLPYXEGPVDS-UHFFFAOYSA-N	-1	3	342.186	4.257	10	5		EIBEHM
CC1CCN(c2ncnc([N-]c3ccccc3Cl)c2[N+](=O)[O-])CC1	ZINC000040612912	132404371	/nfs/dbraw/zinc/40/43/71/132404371.db2.gz	AKNZQPISHCREFI-UHFFFAOYSA-N	-1	3	347.806	4.018	10	5		EIBEHM
O=C([N-]c1ccc(Cl)cc1[N+](=O)[O-])c1nc(Cl)ccc1Cl	ZINC000037979562	213179842	/nfs/dbraw/zinc/17/98/42/213179842.db2.gz	PHHDBRZYWOSUHJ-UHFFFAOYSA-N	-1	3	346.557	4.202	10	5		EIBEHM
CC1=CC(C)(C)N(C(=O)c2ccccc2[N+](=O)[O-])c2ccc([O-])cc21	ZINC000072441652	216235412	/nfs/dbraw/zinc/23/54/12/216235412.db2.gz	RLONSPHYPVKTMA-UHFFFAOYSA-N	-1	3	338.363	4.143	10	5		EIBEHM
CC(C)Oc1ncnc([N-]c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]	ZINC000040588083	213354723	/nfs/dbraw/zinc/35/47/23/213354723.db2.gz	ANPYGZDMPANRMA-UHFFFAOYSA-N	-1	3	343.170	4.222	10	5		EIBEHM
O=[N+]([O-])c1c([N-]c2ccc(F)cc2F)ncnc1Nc1ccccc1	ZINC000040647956	213363831	/nfs/dbraw/zinc/36/38/31/213363831.db2.gz	NWGOPJPJBVQEOG-UHFFFAOYSA-N	-1	3	343.293	4.150	10	5		EIBEHM
CCCNc1ncnc([N-]c2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040596896	213356168	/nfs/dbraw/zinc/35/61/68/213356168.db2.gz	RHNBWXOUYMLOBV-UHFFFAOYSA-N	-1	3	342.186	4.257	10	5		EIBEHM
O=[N+]([O-])c1c([N-]c2ccccc2Cl)ncnc1NC1CCCC1	ZINC000040648203	213363478	/nfs/dbraw/zinc/36/34/78/213363478.db2.gz	FNIFUNHRRWCUPC-UHFFFAOYSA-N	-1	3	333.779	4.136	10	5		EIBEHM
Cc1cccc(Nc2ncnc([N-]c3ccccc3F)c2[N+](=O)[O-])c1	ZINC000040627535	213360812	/nfs/dbraw/zinc/36/08/12/213360812.db2.gz	QYDXVUBPYOKXRO-UHFFFAOYSA-N	-1	3	339.330	4.320	10	5		EIBEHM
CC(C)Nc1ncnc([N-]c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]	ZINC000040597573	213356699	/nfs/dbraw/zinc/35/66/99/213356699.db2.gz	YMFRARWVATXSKX-UHFFFAOYSA-N	-1	3	342.186	4.256	10	5		EIBEHM
CC(C)Nc1ncnc([N-]c2cccc(Cl)c2Cl)c1[N+](=O)[O-]	ZINC000040597493	213356057	/nfs/dbraw/zinc/35/60/57/213356057.db2.gz	NQOIQJDWQBSORA-UHFFFAOYSA-N	-1	3	342.186	4.256	10	5		EIBEHM
Cc1ccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c([O-])c1	ZINC000010751423	211188003	/nfs/dbraw/zinc/18/80/03/211188003.db2.gz	CDRRXZFGOIZLHA-UHFFFAOYSA-N	-1	3	337.788	4.071	10	5		EIBEHM
O=[N+]([O-])c1c([N-]c2ccccc2Cl)ncnc1OC1CCCCC1	ZINC000040648224	213364357	/nfs/dbraw/zinc/36/43/57/213364357.db2.gz	MFESXUROQOIQEJ-UHFFFAOYSA-N	-1	3	348.790	4.493	10	5		EIBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1ccccc1	ZINC000040627521	213361590	/nfs/dbraw/zinc/36/15/90/213361590.db2.gz	UKVQKEGVKQIUKS-UHFFFAOYSA-N	-1	3	325.303	4.011	10	5		EIBEHM
O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1nc(Cl)ccc1Cl	ZINC000037976148	213178701	/nfs/dbraw/zinc/17/87/01/213178701.db2.gz	OTDOJVPTZUHCJR-UHFFFAOYSA-N	-1	3	346.557	4.202	10	5		EIBEHM
CN(c1ccccc1)c1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040625277	213361864	/nfs/dbraw/zinc/36/18/64/213361864.db2.gz	VYJUVWJEIZMWRS-UHFFFAOYSA-N	-1	3	339.330	4.035	10	5		EIBEHM
Cc1ccc(Nc2ncnc([N-]c3ccccc3F)c2[N+](=O)[O-])cc1	ZINC000040627547	213360678	/nfs/dbraw/zinc/36/06/78/213360678.db2.gz	OACKLYKMJVSOIL-UHFFFAOYSA-N	-1	3	339.330	4.320	10	5		EIBEHM
O=[N+]([O-])c1c([N-]c2ccccc2F)ncnc1Nc1ccc(F)cc1	ZINC000040627559	213361667	/nfs/dbraw/zinc/36/16/67/213361667.db2.gz	JZYRTBXJTPOMRQ-UHFFFAOYSA-N	-1	3	343.293	4.150	10	5		EIBEHM
CC(C)Nc1ncnc([N-]c2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000040597490	213357240	/nfs/dbraw/zinc/35/72/40/213357240.db2.gz	JIUAVICRVSQYAA-UHFFFAOYSA-N	-1	3	342.186	4.256	10	5		EIBEHM
C[C@H](Nc1ccc([O-])cc1[N+](=O)[O-])c1sccc1Br	ZINC000037320936	213140732	/nfs/dbraw/zinc/14/07/32/213140732.db2.gz	AFGLQJVBLKNVMH-ZETCQYMHSA-N	-1	3	343.202	4.298	10	5		EIBEHM