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-])Cc1ccccc1Br	ZINC000147594124	384844734	/nfs/dbraw/zinc/84/47/34/384844734.db2.gz	PUGNFKHOEWNBTL-UHFFFAOYSA-N	0	2	216.034	2.226	40	5		BEBBLN
CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	ZINC000073636335	170292600	/nfs/dbraw/zinc/29/26/00/170292600.db2.gz	UPPGKFOEZDUZBC-UHFFFAOYSA-N	0	2	245.618	2.131	40	5		BEBBLN
O=[N+]([O-])c1c(O)ccc(F)c1Br	ZINC000231472312	360452864	/nfs/dbraw/zinc/45/28/64/360452864.db2.gz	NRHXZOPTZSJCQL-UHFFFAOYSA-N	0	2	235.996	2.202	40	5		BEBBLN
COc1cc([N+](=O)[O-])c(O)cc1Br	ZINC000097447147	175017883	/nfs/dbraw/zinc/01/78/83/175017883.db2.gz	TWRGNIMFZNDJDQ-UHFFFAOYSA-N	0	2	248.032	2.072	40	5		BEBBLN
Cc1cc2cc(O)c([N+](=O)[O-])cc2n1C	ZINC000032236733	1167478669	/nfs/dbraw/zinc/47/86/69/1167478669.db2.gz	LDKJCZFMASHXCF-UHFFFAOYSA-N	0	2	206.201	2.101	40	5		BEBBLN
Cc1cc(-c2csnn2)c(O)c([N+](=O)[O-])c1	ZINC000035827647	359737974	/nfs/dbraw/zinc/73/79/74/359737974.db2.gz	PVDZCDJSMDQCBL-UHFFFAOYSA-N	0	2	237.240	2.127	40	5		BEBBLN
O=[N+]([O-])c1cc2ccccc2[nH]c1=S	ZINC000026441131	411342780	/nfs/dbraw/zinc/34/27/80/411342780.db2.gz	CDVYFVGSQPVDSR-UHFFFAOYSA-N	0	2	206.226	2.432	40	5		BEBBLN
Cc1cnoc1-c1ccc(O)c([N+](=O)[O-])c1	ZINC000085393636	187972562	/nfs/dbraw/zinc/97/25/62/187972562.db2.gz	FZVDXDXGUMGDOO-UHFFFAOYSA-N	0	2	220.184	2.264	40	5		BEBBLN
O=c1ccc2nc3c(O)cccc3[nH]c-2c1	ZINC000076495098	183286703	/nfs/dbraw/zinc/28/67/03/183286703.db2.gz	OMRMYNFKUTXJCI-UHFFFAOYSA-N	0	2	212.208	2.194	40	5		BEBBLN
O=c1cccc2[nH]c3cccc(O)c3nc1-2	ZINC000014651227	183298837	/nfs/dbraw/zinc/29/88/37/183298837.db2.gz	FSNHVRFXRAUXFJ-UHFFFAOYSA-N	0	2	212.208	2.194	40	5		BEBBLN
C/C(=C\c1cc(Cl)cc([N+](=O)[O-])c1O)CO	ZINC000040545968	187231256	/nfs/dbraw/zinc/23/12/56/187231256.db2.gz	VMKYXPIAHLUFLX-QHHAFSJGSA-N	0	2	243.646	2.349	40	5		BEBBLN
O=[N+]([O-])c1c(O)cc(O)c2ccccc21	ZINC000001703961	357165074	/nfs/dbraw/zinc/16/50/74/357165074.db2.gz	RCIIGVXRDWAHAQ-UHFFFAOYSA-N	0	2	205.169	2.159	40	5		BEBBLN
O=c1ccc2nc3ccc(O)cc3sc-2c1	ZINC000004777623	183002518	/nfs/dbraw/zinc/00/25/18/183002518.db2.gz	GSEOMGSFLQCKRO-UHFFFAOYSA-N	0	2	229.260	2.467	40	5		BEBBLN
O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	ZINC000036047437	387593954	/nfs/dbraw/zinc/59/39/54/387593954.db2.gz	RYJGFPXYCFGNRD-UHFFFAOYSA-N	0	2	233.179	2.373	40	5		BEBBLN
O=[N+]([O-])c1ccc(OC(F)(F)F)cc1O	ZINC000140888740	372817769	/nfs/dbraw/zinc/81/77/69/372817769.db2.gz	MBOIPPULJYXNPE-UHFFFAOYSA-N	0	2	223.106	2.199	40	5		BEBBLN
Cc1cc([N+](=O)[O-])cc(Br)c1O	ZINC000060237549	178269492	/nfs/dbraw/zinc/26/94/92/178269492.db2.gz	AJMYXGRHDGEXOJ-UHFFFAOYSA-N	0	2	232.033	2.371	40	5		BEBBLN
O=[N+]([O-])c1ccc(F)c(OC(F)(F)F)c1O	ZINC000604221687	371962507	/nfs/dbraw/zinc/96/25/07/371962507.db2.gz	VGEIYKCLIHCXKP-UHFFFAOYSA-N	0	2	241.096	2.338	40	5		BEBBLN
O=[N+]([O-])c1cc(F)c(OC(F)(F)F)cc1O	ZINC000098210996	385215206	/nfs/dbraw/zinc/21/52/06/385215206.db2.gz	QFIBSIIHEBRIER-UHFFFAOYSA-N	0	2	241.096	2.338	40	5		BEBBLN
Cc1cc2cc3c(=O)[nH]c(=O)nc-3[nH]c2cc1C	ZINC000013542876	178295375	/nfs/dbraw/zinc/29/53/75/178295375.db2.gz	FSOQDJAHSRUDCZ-UHFFFAOYSA-N	0	2	241.250	2.206	40	5	in-vitro	BEBBLN
O=c1c2ccc(O)cc2oc2cc(O)cc(O)c21	ZINC000014821941	358433437	/nfs/dbraw/zinc/43/34/37/358433437.db2.gz	WRIILVBYWBDSMT-UHFFFAOYSA-N	0	2	244.202	2.063	40	5		BEBBLN
CC(C)(C)c1cc(C=O)c(O)c([N+](=O)[O-])c1	ZINC000063926344	387642141	/nfs/dbraw/zinc/64/21/41/387642141.db2.gz	BZOUYFMRPKMAOP-UHFFFAOYSA-N	0	2	223.228	2.410	40	5		BEBBLN
COc1cc(O)c([N+](=O)[O-])cc1C(F)(F)F	ZINC000002540357	388844723	/nfs/dbraw/zinc/84/47/23/388844723.db2.gz	CQYPDXUWXKXLSD-UHFFFAOYSA-N	0	2	237.133	2.328	40	5		BEBBLN
CC(C)c1cc(C=O)c(O)c([N+](=O)[O-])c1	ZINC000063926346	167569845	/nfs/dbraw/zinc/56/98/45/167569845.db2.gz	YCZJAUBIQJJCRJ-UHFFFAOYSA-N	0	2	209.201	2.236	40	5		BEBBLN
O=[N+]([O-])c1c(O)cc(Cl)nc1Cl	ZINC000002507200	371563819	/nfs/dbraw/zinc/56/38/19/371563819.db2.gz	SSSUJSXIVQIUSV-UHFFFAOYSA-N	0	2	208.988	2.002	40	5		BEBBLN
CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000096125946	388810759	/nfs/dbraw/zinc/81/07/59/388810759.db2.gz	NFALFMMBSPRIRF-UHFFFAOYSA-N	0	2	239.227	2.256	40	5		BEBBLN
CCNc1cc([N+](=O)[O-])cc(Cl)c1O	ZINC000033961876	170172707	/nfs/dbraw/zinc/17/27/07/170172707.db2.gz	CDFNUSAXZDSXKF-UHFFFAOYSA-N	0	2	216.624	2.386	40	5		BEBBLN