smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2[nH+]c3cccc(N)c3cc2c1	ZINC000005161759	342758959	/nfs/dbraw/zinc/75/89/59/342758959.db2.gz	PAOHOFLZJDJJLR-UHFFFAOYSA-N	1	2	209.252	2.552	10	5		BFBELO
O=[N+]([O-])c1cccc(F)c1/C=C/[NH+]1CCCC1	ZINC000095348140	388763700	/nfs/dbraw/zinc/76/37/00/388763700.db2.gz	KGBDDNXVFNLWPV-RMKNXTFCSA-N	1	2	236.246	2.800	10	5		BFBELO
Cc1[nH+]c[nH]c1CNc1ccc([N+](=O)[O-])c(C)c1	ZINC000054797311	178171562	/nfs/dbraw/zinc/17/15/62/178171562.db2.gz	BMUPHJOAJQOHHV-UHFFFAOYSA-N	1	2	246.270	2.547	10	5		BFBELO
O=[N+]([O-])c1cccc(F)c1/C=C\[NH+]1CCCC1	ZINC000216046537	182945976	/nfs/dbraw/zinc/94/59/76/182945976.db2.gz	KGBDDNXVFNLWPV-TWGQIWQCSA-N	1	2	236.246	2.800	10	5		BFBELO
Cc1[nH]c(-c2cccc([N+](=O)[O-])c2)[nH+]c1C	ZINC000064871526	387883985	/nfs/dbraw/zinc/88/39/85/387883985.db2.gz	MXRXYQPPOQVNEC-UHFFFAOYSA-N	1	2	217.228	2.602	10	5		BFBELO
Cc1cc(NCc2[nH]cc[nH+]2)c([N+](=O)[O-])cc1C	ZINC000050439679	178176460	/nfs/dbraw/zinc/17/64/60/178176460.db2.gz	TYQUMRYYPPDYDK-UHFFFAOYSA-N	1	2	246.270	2.547	10	5		BFBELO
C[C@H]1C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21	ZINC000413114381	191354678	/nfs/dbraw/zinc/35/46/78/191354678.db2.gz	DIYGCMXPHLKZJP-UFBFGSQYSA-N	1	2	243.266	2.963	10	5		BFBELO
CC(C)CC1=[NH+]CCc2ccc([N+](=O)[O-])cc21	ZINC000038302516	372532065	/nfs/dbraw/zinc/53/20/65/372532065.db2.gz	PZGPKBSKOXUJJR-UHFFFAOYSA-N	1	2	232.283	2.986	10	5		BFBELO
O=[N+]([O-])c1cccc(Oc2cc[nH+]cc2)c1	ZINC000201088313	411130980	/nfs/dbraw/zinc/13/09/80/411130980.db2.gz	LATNLEGVUWFTII-UHFFFAOYSA-N	1	2	216.196	2.782	10	5		BFBELO
Cc1[nH+]cn(-c2cccc(F)c2[N+](=O)[O-])c1C	ZINC000054269776	180285872	/nfs/dbraw/zinc/28/58/72/180285872.db2.gz	FHHYTPKZLMMPGZ-UHFFFAOYSA-N	1	2	235.218	2.536	10	5		BFBELO
Nc1[nH+]cccc1/C=C/c1ccccc1[N+](=O)[O-]	ZINC000584649356	358304228	/nfs/dbraw/zinc/30/42/28/358304228.db2.gz	SSQXBWCAYODQPM-BQYQJAHWSA-N	1	2	241.250	2.742	10	5		BFBELO
Cc1cc[nH+]cc1NCc1csc([N+](=O)[O-])c1	ZINC000071413862	384883515	/nfs/dbraw/zinc/88/35/15/384883515.db2.gz	SEGYRNWLGUBFLX-UHFFFAOYSA-N	1	2	249.295	2.972	10	5		BFBELO
O=[N+]([O-])c1cccc(-c2[nH+]cnc3[nH]ccc32)c1	ZINC000218974456	344251607	/nfs/dbraw/zinc/25/16/07/344251607.db2.gz	JOKLPCIZZTWMTG-UHFFFAOYSA-N	1	2	240.222	2.533	10	5		BFBELO
O=[N+]([O-])c1cc(-c2[nH]cc[nH+]2)ccc1Cl	ZINC000137906652	384554405	/nfs/dbraw/zinc/55/44/05/384554405.db2.gz	YWYKVCFKQQOPIH-UHFFFAOYSA-N	1	2	223.619	2.638	10	5		BFBELO
Cc1[nH+]c[nH]c1CNc1cccc([N+](=O)[O-])c1C	ZINC000054795538	180122494	/nfs/dbraw/zinc/12/24/94/180122494.db2.gz	GKMUFPMQVLHMBY-UHFFFAOYSA-N	1	2	246.270	2.547	10	5		BFBELO
Nc1ccc2[nH+]c3ccc(N)cc3cc2c1	ZINC000005338207	342762233	/nfs/dbraw/zinc/76/22/33/342762233.db2.gz	OYZJQXIQTJRRCG-UHFFFAOYSA-N	1	2	209.252	2.552	10	5		BFBELO
C[C@@H]1C[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21	ZINC000413113923	191354319	/nfs/dbraw/zinc/35/43/19/191354319.db2.gz	DIYGCMXPHLKZJP-PELKAZGASA-N	1	2	243.266	2.963	10	5		BFBELO
O=[N+]([O-])c1ccc(-c2cccn3cc[nH+]c23)cc1	ZINC000089201507	487854123	/nfs/dbraw/zinc/85/41/23/487854123.db2.gz	IYPFBULYHXTWTE-UHFFFAOYSA-N	1	2	239.234	2.910	10	5		BFBELO
O=[N+]([O-])c1cc2ccccc2cc1-n1cc[nH+]c1	ZINC000584617354	358282057	/nfs/dbraw/zinc/28/20/57/358282057.db2.gz	RCEKRZLGMOTNMU-UHFFFAOYSA-N	1	2	239.234	2.934	10	5		BFBELO
Nc1c2ccc([N+](=O)[O-])cc2[nH+]c2c1CCCC2	ZINC000013808485	343672704	/nfs/dbraw/zinc/67/27/04/343672704.db2.gz	MLEHSJMTNRGDES-UHFFFAOYSA-N	1	2	243.266	2.604	10	5		BFBELO
O=[N+]([O-])c1cccc2c1CCC=C2c1c[nH]c[nH+]1	ZINC000034546898	345831325	/nfs/dbraw/zinc/83/13/25/345831325.db2.gz	HEXXIQSRUISXGE-UHFFFAOYSA-N	1	2	241.250	2.696	10	5		BFBELO
C[C@H]1C[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21	ZINC000413114380	191354259	/nfs/dbraw/zinc/35/42/59/191354259.db2.gz	DIYGCMXPHLKZJP-QPUJVOFHSA-N	1	2	243.266	2.963	10	5		BFBELO