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-])c1ccccc1OCCN1CCCC1	ZINC000004989984	344883069	/nfs/dbraw/zinc/88/30/69/344883069.db2.gz	NUXRMDMMIIYPHL-UHFFFAOYSA-N	0	3	236.271	2.069	50	5		BEBAHN
NCc1c(Cl)c(Cl)ccc1[N+](=O)[O-]	ZINC000021984050	585025219	/nfs/dbraw/zinc/02/52/19/585025219.db2.gz	NVQPKDBOSKBIEX-UHFFFAOYSA-N	0	3	221.043	2.360	50	5	in-vitro	BEBAHN
O=[N+]([O-])c1ccc(OCCN2CCCC2)cc1	ZINC000004989597	344882867	/nfs/dbraw/zinc/88/28/67/344882867.db2.gz	RZIYRKYHMDDHCK-UHFFFAOYSA-N	0	3	236.271	2.069	50	5		BEBAHN
CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000005735829	534931100	/nfs/dbraw/zinc/93/11/00/534931100.db2.gz	MQJJDFNEVSVCBC-UHFFFAOYSA-N	0	3	249.314	2.127	50	5		BEBAHN
CN(C)Cc1c[nH]c2cccc([N+](=O)[O-])c12	ZINC000001697284	357154450	/nfs/dbraw/zinc/15/44/50/357154450.db2.gz	NTWUAOHAQNZERF-UHFFFAOYSA-N	0	3	219.244	2.138	50	5		BEBAHN
CCN(CC)Cc1ccc([N+](=O)[O-])cc1	ZINC000001671535	387332402	/nfs/dbraw/zinc/33/24/02/387332402.db2.gz	OENCDYVUUXJNLG-UHFFFAOYSA-N	0	3	208.261	2.437	50	5		BEBAHN
CCNCc1cc([N+](=O)[O-])ccc1OCC	ZINC000002887309	170125846	/nfs/dbraw/zinc/12/58/46/170125846.db2.gz	HOLZGJLCSJLGPL-UHFFFAOYSA-N	0	3	224.260	2.103	50	5		BEBAHN
CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004416964	384347061	/nfs/dbraw/zinc/34/70/61/384347061.db2.gz	BJQJYGBOWKQYTR-UHFFFAOYSA-N	0	3	243.694	2.222	50	5		BEBAHN
CNCc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1	ZINC000036877208	173395017	/nfs/dbraw/zinc/39/50/17/173395017.db2.gz	IINAFRPXRRVLDN-UHFFFAOYSA-N	0	3	246.270	2.013	50	5		BEBAHN
CCN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000096453670	343742628	/nfs/dbraw/zinc/74/26/28/343742628.db2.gz	YCQFBQCKQKOPAK-UHFFFAOYSA-N	0	3	249.314	2.127	50	5		BEBAHN
Cc1ccc(CNC2CC2)cc1[N+](=O)[O-]	ZINC000034995046	351376113	/nfs/dbraw/zinc/37/61/13/351376113.db2.gz	HWUHBZSQZDCUDJ-UHFFFAOYSA-N	0	3	206.245	2.155	50	5		BEBAHN
CN(C)CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004416961	384347117	/nfs/dbraw/zinc/34/71/17/384347117.db2.gz	MBNYDZYJRSBQBU-UHFFFAOYSA-N	0	3	243.694	2.222	50	5		BEBAHN
CCCCN1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000095466661	388775340	/nfs/dbraw/zinc/77/53/40/388775340.db2.gz	FAIFHTMGHWGMBC-UHFFFAOYSA-N	0	3	235.287	2.148	50	5		BEBAHN
CCOCCCNCc1ccc([N+](=O)[O-])cc1	ZINC000002923950	170381100	/nfs/dbraw/zinc/38/11/00/170381100.db2.gz	VDAWPTHFWAAZNB-UHFFFAOYSA-N	0	3	238.287	2.111	50	5		BEBAHN
CN(C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12	ZINC000000174854	188272359	/nfs/dbraw/zinc/27/23/59/188272359.db2.gz	PMTRDROSYRMMAD-UHFFFAOYSA-N	0	3	219.244	2.138	50	5	biogenic,in-vitro	BEBAHN
NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000044249011	384540611	/nfs/dbraw/zinc/54/06/11/384540611.db2.gz	TWDRNIQLTSONQX-UHFFFAOYSA-N	0	3	220.150	2.072	50	5		BEBAHN
CN(CCOc1ccccc1[N+](=O)[O-])C1CC1	ZINC000051902572	387444181	/nfs/dbraw/zinc/44/41/81/387444181.db2.gz	XDKLVQHVEPGVQQ-UHFFFAOYSA-N	0	3	236.271	2.068	50	5		BEBAHN
O=[N+]([O-])c1ccccc1CNC1CCC1	ZINC000050015666	383891996	/nfs/dbraw/zinc/89/19/96/383891996.db2.gz	WMOZJATVANKOOB-UHFFFAOYSA-N	0	3	206.245	2.237	50	5		BEBAHN
CN(Cc1ccccc1[N+](=O)[O-])CC1CC1	ZINC000052106388	385682289	/nfs/dbraw/zinc/68/22/89/385682289.db2.gz	VCBXBNYLGSRCOI-UHFFFAOYSA-N	0	3	220.272	2.437	50	5		BEBAHN
O=[N+]([O-])c1cccc(CN2CCCC2)c1	ZINC000004988212	344882910	/nfs/dbraw/zinc/88/29/10/344882910.db2.gz	YLQHNPWMFVKRHS-UHFFFAOYSA-N	0	3	206.245	2.191	50	5		BEBAHN
COc1ccc(CN(C)C(C)C)cc1[N+](=O)[O-]	ZINC000069508436	358765672	/nfs/dbraw/zinc/76/56/72/358765672.db2.gz	VEOTYZTVNVEZDP-UHFFFAOYSA-N	0	3	238.287	2.444	50	5		BEBAHN
CCCCNCc1ccccc1[N+](=O)[O-]	ZINC000020044312	388753172	/nfs/dbraw/zinc/75/31/72/388753172.db2.gz	IBGHUBDZSCNRTD-UHFFFAOYSA-N	0	3	208.261	2.485	50	5		BEBAHN
CC[C@H](C)NCc1ccccc1[N+](=O)[O-]	ZINC000020036441	171344141	/nfs/dbraw/zinc/34/41/41/171344141.db2.gz	QJWFKCGFPGFDEU-VIFPVBQESA-N	0	3	208.261	2.483	50	5		BEBAHN
CNCc1cc([N+](=O)[O-])ccc1Br	ZINC000083373309	173386837	/nfs/dbraw/zinc/38/68/37/173386837.db2.gz	MBEJZLPYALTHPH-UHFFFAOYSA-N	0	3	245.076	2.077	50	5		BEBAHN
Cc1cc(N)c2cc([N+](=O)[O-])ccc2n1	ZINC000026461076	178103181	/nfs/dbraw/zinc/10/31/81/178103181.db2.gz	BJGZNGVTLAUJID-UHFFFAOYSA-N	0	3	203.201	2.034	50	5		BEBAHN
CN(C)Cc1c[nH]c2c1cccc2[N+](=O)[O-]	ZINC000001696483	387418120	/nfs/dbraw/zinc/41/81/20/387418120.db2.gz	YLVPUBNLOINGDI-UHFFFAOYSA-N	0	3	219.244	2.138	50	5		BEBAHN
CCOCCCNCc1cccc([N+](=O)[O-])c1	ZINC000008253199	170381656	/nfs/dbraw/zinc/38/16/56/170381656.db2.gz	QNSYVZTYQSJAJF-UHFFFAOYSA-N	0	3	238.287	2.111	50	5		BEBAHN
O=[N+]([O-])c1ccccc1CN1CCCC1	ZINC000000277813	344672688	/nfs/dbraw/zinc/67/26/88/344672688.db2.gz	HKQNARFNHJRRLM-UHFFFAOYSA-N	0	3	206.245	2.191	50	5		BEBAHN
O=[N+]([O-])c1ccc(CN2CCCC2)cc1	ZINC000004989019	344882978	/nfs/dbraw/zinc/88/29/78/344882978.db2.gz	YRULNKOFMFLCNV-UHFFFAOYSA-N	0	3	206.245	2.191	50	5		BEBAHN
CN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000002566595	388344677	/nfs/dbraw/zinc/34/46/77/388344677.db2.gz	SVNVKGIWGOHXPW-UHFFFAOYSA-N	0	3	219.244	2.138	50	5		BEBAHN
CNCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000088611679	173385864	/nfs/dbraw/zinc/38/58/64/173385864.db2.gz	IQWKACZNNODICN-UHFFFAOYSA-N	0	3	245.076	2.077	50	5		BEBAHN
COCC(C)(C)NCc1cccc([N+](=O)[O-])c1	ZINC000066996048	174082530	/nfs/dbraw/zinc/08/25/30/174082530.db2.gz	QKQRWJCNJVAZPT-UHFFFAOYSA-N	0	3	238.287	2.109	50	5		BEBAHN
O=[N+]([O-])c1ccc(NCCN2CCCC2)cc1	ZINC000048322164	343577176	/nfs/dbraw/zinc/57/71/76/343577176.db2.gz	DUGUFBRTAQGQJO-UHFFFAOYSA-N	0	3	235.287	2.103	50	5		BEBAHN
CC[C@@H](C)NCc1ccccc1[N+](=O)[O-]	ZINC000020036437	371218413	/nfs/dbraw/zinc/21/84/13/371218413.db2.gz	QJWFKCGFPGFDEU-SECBINFHSA-N	0	3	208.261	2.483	50	5		BEBAHN
CN(C)CCOc1c(Cl)cccc1[N+](=O)[O-]	ZINC000072233447	344519273	/nfs/dbraw/zinc/51/92/73/344519273.db2.gz	OGASHHCZEXWKTQ-UHFFFAOYSA-N	0	3	244.678	2.189	50	5		BEBAHN
CCN(CC)Cc1cccc([N+](=O)[O-])c1	ZINC000004789061	169790944	/nfs/dbraw/zinc/79/09/44/169790944.db2.gz	PRWBWWISPHBPIA-UHFFFAOYSA-N	0	3	208.261	2.437	50	5		BEBAHN