smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	ZINC000036992019	340729428	/nfs/dbraw/zinc/72/94/28/340729428.db2.gz	JVPOJIZTBTXFAY-MNOVXSKESA-N	0	1	324.833	5.030	20	5		DKBDMN
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	ZINC000036992020	340729519	/nfs/dbraw/zinc/72/95/19/340729519.db2.gz	JVPOJIZTBTXFAY-QWRGUYRKSA-N	0	1	324.833	5.030	20	5		DKBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	ZINC000036992021	340729399	/nfs/dbraw/zinc/72/93/99/340729399.db2.gz	JVPOJIZTBTXFAY-GHMZBOCLSA-N	0	1	324.833	5.030	20	5		DKBDMN
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	ZINC000036992022	340729495	/nfs/dbraw/zinc/72/94/95/340729495.db2.gz	JVPOJIZTBTXFAY-WDEREUQCSA-N	0	1	324.833	5.030	20	5		DKBDMN
Cc1c([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	ZINC000159923224	338536121	/nfs/dbraw/zinc/53/61/21/338536121.db2.gz	UCPUOKQHMNFJKZ-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c([C@H](C)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	ZINC000159923365	338536011	/nfs/dbraw/zinc/53/60/11/338536011.db2.gz	UCPUOKQHMNFJKZ-UONOGXRCSA-N	0	1	324.380	5.061	20	5		DKBDMN
CC[C@@H](N[C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000195548097	338904552	/nfs/dbraw/zinc/90/45/52/338904552.db2.gz	NIFDYLCQNIDJEU-SJKOYZFVSA-N	0	1	318.804	5.050	20	5		DKBDMN
CC[C@H](N[C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000195548101	338904548	/nfs/dbraw/zinc/90/45/48/338904548.db2.gz	NIFDYLCQNIDJEU-PXAZEXFGSA-N	0	1	318.804	5.050	20	5		DKBDMN
Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000195656617	338912984	/nfs/dbraw/zinc/91/29/84/338912984.db2.gz	PTCFHJRICWKNSE-UONOGXRCSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000195656621	338912969	/nfs/dbraw/zinc/91/29/69/338912969.db2.gz	PTCFHJRICWKNSE-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000195656623	338912925	/nfs/dbraw/zinc/91/29/25/338912925.db2.gz	PTCFHJRICWKNSE-KGLIPLIRSA-N	0	1	324.380	5.061	20	5		DKBDMN
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000315165468	337981476	/nfs/dbraw/zinc/98/14/76/337981476.db2.gz	HEIYZLULIVFVLD-LRDDRELGSA-N	0	1	318.804	5.050	20	5		DKBDMN
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000315165472	337981484	/nfs/dbraw/zinc/98/14/84/337981484.db2.gz	HEIYZLULIVFVLD-MLGOLLRUSA-N	0	1	318.804	5.050	20	5		DKBDMN
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000324823363	336260329	/nfs/dbraw/zinc/26/03/29/336260329.db2.gz	AHJMYCIVOHFEQV-CXAGYDPISA-N	0	1	324.380	5.143	20	5		DKBDMN
CC[C@H](N[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000324823365	336260300	/nfs/dbraw/zinc/26/03/00/336260300.db2.gz	AHJMYCIVOHFEQV-DYVFJYSZSA-N	0	1	324.380	5.143	20	5		DKBDMN
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000324823367	336260327	/nfs/dbraw/zinc/26/03/27/336260327.db2.gz	AHJMYCIVOHFEQV-GUYCJALGSA-N	0	1	324.380	5.143	20	5		DKBDMN
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	ZINC000324823369	336260197	/nfs/dbraw/zinc/26/01/97/336260197.db2.gz	AHJMYCIVOHFEQV-SUMWQHHRSA-N	0	1	324.380	5.143	20	5		DKBDMN
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000325116624	336279438	/nfs/dbraw/zinc/27/94/38/336279438.db2.gz	NTPTZBXLGYXSMP-KBPBESRZSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000325116625	336279440	/nfs/dbraw/zinc/27/94/40/336279440.db2.gz	NTPTZBXLGYXSMP-KGLIPLIRSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000325116626	336279418	/nfs/dbraw/zinc/27/94/18/336279418.db2.gz	NTPTZBXLGYXSMP-UONOGXRCSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	ZINC000325116627	336279494	/nfs/dbraw/zinc/27/94/94/336279494.db2.gz	NTPTZBXLGYXSMP-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc2cc([C@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)oc2c1	ZINC000425938397	338019145	/nfs/dbraw/zinc/01/91/45/338019145.db2.gz	QDXWSPOQZBSGCY-KBPBESRZSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cc2ccccc2o1	ZINC000442885868	338437993	/nfs/dbraw/zinc/43/79/93/338437993.db2.gz	MNVMNYXUEGKQNC-UONOGXRCSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1	ZINC000442885869	338438191	/nfs/dbraw/zinc/43/81/91/338438191.db2.gz	MNVMNYXUEGKQNC-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1	ZINC000467281950	339229874	/nfs/dbraw/zinc/22/98/74/339229874.db2.gz	MNVMNYXUEGKQNC-KBPBESRZSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	ZINC000467281951	339229819	/nfs/dbraw/zinc/22/98/19/339229819.db2.gz	MNVMNYXUEGKQNC-KGLIPLIRSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000477864723	339503194	/nfs/dbraw/zinc/50/31/94/339503194.db2.gz	VAEGFATWYHBRRI-KBPBESRZSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000477864726	339503174	/nfs/dbraw/zinc/50/31/74/339503174.db2.gz	VAEGFATWYHBRRI-KGLIPLIRSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000477864832	339503172	/nfs/dbraw/zinc/50/31/72/339503172.db2.gz	VILHCPGZTSMQBO-UONOGXRCSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000477864835	339503257	/nfs/dbraw/zinc/50/32/57/339503257.db2.gz	VILHCPGZTSMQBO-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
Cc1c2ccccc2oc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000477866407	339503317	/nfs/dbraw/zinc/50/33/17/339503317.db2.gz	VAEGFATWYHBRRI-ZIAGYGMSSA-N	0	1	324.380	5.061	20	5		DKBDMN
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	ZINC000540396810	340929398	/nfs/dbraw/zinc/92/93/98/340929398.db2.gz	FHQRLEMOEOTEIA-PWSUYJOCSA-N	0	1	324.833	5.112	20	5		DKBDMN