smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCN[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020525936	259398876	/nfs/dbraw/zinc/39/88/76/259398876.db2.gz	NRTJWZDINGIWJW-NSHDSACASA-N	0	3	236.315	3.436	10	5		BGBEHN
CCCCCN[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020525937	259399036	/nfs/dbraw/zinc/39/90/36/259399036.db2.gz	NRTJWZDINGIWJW-LLVKDONJSA-N	0	3	236.315	3.436	10	5		BGBEHN
C[N+](C)(C)c1cc([O-])cc(-c2ccccc2)c1	ZINC000033855144	717122497	/nfs/dbraw/zinc/12/24/97/717122497.db2.gz	KPKIGBDNZVKZIX-UHFFFAOYSA-O	0	3	228.315	3.256	10	5		BGBEHN
CCC(C)(C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035307952	168298989	/nfs/dbraw/zinc/29/89/89/168298989.db2.gz	NLZLOKWLTXNZNH-UHFFFAOYSA-N	0	3	240.278	3.012	10	5		BGBEHN
CCC(CC)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035307966	168389530	/nfs/dbraw/zinc/38/95/30/168389530.db2.gz	CSMBXJKTOXGWJS-UHFFFAOYSA-N	0	3	240.278	3.012	10	5		BGBEHN
CCC[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-]	ZINC000035307999	169370244	/nfs/dbraw/zinc/37/02/44/169370244.db2.gz	ZPAMHGWGOCZTHL-SECBINFHSA-N	0	3	240.278	3.012	10	5		BGBEHN
CC(C)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000036964881	187258979	/nfs/dbraw/zinc/25/89/79/187258979.db2.gz	PNHLTZPUAQDDFQ-UHFFFAOYSA-N	0	3	242.706	3.088	10	5		BGBEHN
CC[C@H](NCc1csc([N+](=O)[O-])c1)C(C)C	ZINC000042586382	374276394	/nfs/dbraw/zinc/27/63/94/374276394.db2.gz	XZDFWWJYVPQCQA-JTQLQIEISA-N	0	3	242.344	3.181	10	5		BGBEHN
CC[C@@H](NCc1csc([N+](=O)[O-])c1)C(C)C	ZINC000042586385	374276555	/nfs/dbraw/zinc/27/65/55/374276555.db2.gz	XZDFWWJYVPQCQA-SNVBAGLBSA-N	0	3	242.344	3.181	10	5		BGBEHN
CC[C@@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1	ZINC000080460276	135374698	/nfs/dbraw/zinc/37/46/98/135374698.db2.gz	OCFKZEFJOORUJE-YPMHNXCESA-N	0	3	248.326	3.263	10	5		BGBEHN
CC[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])C1	ZINC000080460279	135374601	/nfs/dbraw/zinc/37/46/01/135374601.db2.gz	OCFKZEFJOORUJE-AAEUAGOBSA-N	0	3	248.326	3.263	10	5		BGBEHN
CC[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1	ZINC000080460283	135374247	/nfs/dbraw/zinc/37/42/47/135374247.db2.gz	OCFKZEFJOORUJE-DGCLKSJQSA-N	0	3	248.326	3.263	10	5		BGBEHN
CC[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1	ZINC000080460286	536094164	/nfs/dbraw/zinc/09/41/64/536094164.db2.gz	OCFKZEFJOORUJE-WCQYABFASA-N	0	3	248.326	3.263	10	5		BGBEHN
CCC[C@@H]1C[C@@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000090176182	256557715	/nfs/dbraw/zinc/55/77/15/256557715.db2.gz	VYJVVMMHXVTIPZ-SUHUHFCYSA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC[C@@H]1C[C@H]1N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000090176184	388395024	/nfs/dbraw/zinc/39/50/24/388395024.db2.gz	VYJVVMMHXVTIPZ-ZKYQVNSYSA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC(CC)[C@@H](C)NCc1ccc([N+](=O)[O-])o1	ZINC000104437267	168399806	/nfs/dbraw/zinc/39/98/06/168399806.db2.gz	ZZWMAVKPTDPCNL-SECBINFHSA-N	0	3	240.303	3.102	10	5		BGBEHN
CCC(CC)[C@H](C)NCc1ccc([N+](=O)[O-])o1	ZINC000104437269	168405817	/nfs/dbraw/zinc/40/58/17/168405817.db2.gz	ZZWMAVKPTDPCNL-VIFPVBQESA-N	0	3	240.303	3.102	10	5		BGBEHN
C[C@H](NCCC1CCC1)c1ccccc1[N+](=O)[O-]	ZINC000122834043	363886125	/nfs/dbraw/zinc/88/61/25/363886125.db2.gz	HKSHPYBHVDEPEE-NSHDSACASA-N	0	3	248.326	3.436	10	5		BGBEHN
C[C@@H](NCCC1CCC1)c1ccccc1[N+](=O)[O-]	ZINC000122834243	363885973	/nfs/dbraw/zinc/88/59/73/363885973.db2.gz	HKSHPYBHVDEPEE-LLVKDONJSA-N	0	3	248.326	3.436	10	5		BGBEHN
C[C@H](NCCCC1CC1)c1ccccc1[N+](=O)[O-]	ZINC000135366012	592010304	/nfs/dbraw/zinc/01/03/04/592010304.db2.gz	QEFQTQWZJNTHKD-NSHDSACASA-N	0	3	248.326	3.436	10	5		BGBEHN
C[C@@H](NCCCC1CC1)c1ccccc1[N+](=O)[O-]	ZINC000135366031	592009756	/nfs/dbraw/zinc/00/97/56/592009756.db2.gz	QEFQTQWZJNTHKD-LLVKDONJSA-N	0	3	248.326	3.436	10	5		BGBEHN
C[C@H](NC1CC(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000163381390	134985294	/nfs/dbraw/zinc/98/52/94/134985294.db2.gz	IBCBRZJSMMPJQV-YVNMAJEFSA-N	0	3	234.299	3.044	10	5		BGBEHN
C[C@@H](NC1CC(C)C1)c1ccccc1[N+](=O)[O-]	ZINC000163381513	371986046	/nfs/dbraw/zinc/98/60/46/371986046.db2.gz	IBCBRZJSMMPJQV-HSOILSAZSA-N	0	3	234.299	3.044	10	5		BGBEHN
CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000219253539	384326326	/nfs/dbraw/zinc/32/63/26/384326326.db2.gz	KOZUSCXHPMDJQW-SUHUHFCYSA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC[C@@H]1C[C@H]1N[C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000219253656	384325163	/nfs/dbraw/zinc/32/51/63/384325163.db2.gz	KOZUSCXHPMDJQW-ZKYQVNSYSA-N	0	3	248.326	3.434	10	5		BGBEHN
C[C@@H](NCC1(C)CCC1)c1ccccc1[N+](=O)[O-]	ZINC000226774292	134368871	/nfs/dbraw/zinc/36/88/71/134368871.db2.gz	ZOICLAKTWQNJNK-LLVKDONJSA-N	0	3	248.326	3.436	10	5		BGBEHN
C[C@H](NCC1(C)CCC1)c1ccccc1[N+](=O)[O-]	ZINC000226774298	134369075	/nfs/dbraw/zinc/36/90/75/134369075.db2.gz	ZOICLAKTWQNJNK-NSHDSACASA-N	0	3	248.326	3.436	10	5		BGBEHN
CCC[C@@H]1C[C@H]1NCc1ccc(C)c([N+](=O)[O-])c1	ZINC000231673291	385777276	/nfs/dbraw/zinc/77/72/76/385777276.db2.gz	LHPPCJJSFHQSSS-CHWSQXEVSA-N	0	3	248.326	3.181	10	5		BGBEHN
CCC[C@@H]1C[C@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000300405453	527866245	/nfs/dbraw/zinc/86/62/45/527866245.db2.gz	KOZUSCXHPMDJQW-MPKXVKKWSA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC[C@@H]1C[C@@H]1N[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000300405454	527831758	/nfs/dbraw/zinc/83/17/58/527831758.db2.gz	KOZUSCXHPMDJQW-QKCSRTOESA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC[C@@H]1C[C@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000300415439	527865808	/nfs/dbraw/zinc/86/58/08/527865808.db2.gz	VYJVVMMHXVTIPZ-MPKXVKKWSA-N	0	3	248.326	3.434	10	5		BGBEHN
CCC[C@@H]1C[C@@H]1N[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000300415440	527831871	/nfs/dbraw/zinc/83/18/71/527831871.db2.gz	VYJVVMMHXVTIPZ-QKCSRTOESA-N	0	3	248.326	3.434	10	5		BGBEHN
O=[N+]([O-])c1cc([C@@H]2CCCCN2)ccc1Cl	ZINC000309248518	342920634	/nfs/dbraw/zinc/92/06/34/342920634.db2.gz	OVOFSVHGPKKGAN-JTQLQIEISA-N	0	3	240.690	3.063	10	5		BGBEHN
O=[N+]([O-])c1ccc(Cl)c([C@H]2CCCCN2)c1	ZINC000309519409	343662236	/nfs/dbraw/zinc/66/22/36/343662236.db2.gz	ABJDACPVNWTTDQ-LLVKDONJSA-N	0	3	240.690	3.063	10	5		BGBEHN
O=[N+]([O-])c1ccc(Cl)c([C@@H]2CCCCN2)c1	ZINC000309519416	343662387	/nfs/dbraw/zinc/66/23/87/343662387.db2.gz	ABJDACPVNWTTDQ-NSHDSACASA-N	0	3	240.690	3.063	10	5		BGBEHN
O=[N+]([O-])c1ccc(Cl)cc1[C@@H]1CCCCN1	ZINC000309557249	343745397	/nfs/dbraw/zinc/74/53/97/343745397.db2.gz	OMMMEEYKSCHFCO-JTQLQIEISA-N	0	3	240.690	3.063	10	5		BGBEHN
C[C@H](N[C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-]	ZINC000385629932	490211324	/nfs/dbraw/zinc/21/13/24/490211324.db2.gz	KFTZSAQCOGWNKH-HNCHTBHHSA-N	0	3	248.326	3.290	10	5		BGBEHN
C[C@H](N[C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-]	ZINC000385629952	490211266	/nfs/dbraw/zinc/21/12/66/490211266.db2.gz	KFTZSAQCOGWNKH-MPPDQPJWSA-N	0	3	248.326	3.290	10	5		BGBEHN
C[C@H](N[C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1[N+](=O)[O-]	ZINC000385629953	490211284	/nfs/dbraw/zinc/21/12/84/490211284.db2.gz	KFTZSAQCOGWNKH-MRBYEJRBSA-N	0	3	248.326	3.290	10	5		BGBEHN
C[C@H](N[C@@H]1C[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-]	ZINC000385629955	490211297	/nfs/dbraw/zinc/21/12/97/490211297.db2.gz	KFTZSAQCOGWNKH-SRRSOLGSSA-N	0	3	248.326	3.290	10	5		BGBEHN