smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1nc2ccccc2c(Nc2ccccc2[N+](=O)[O-])n1	ZINC000016954066	540125733	/nfs/dbraw/zinc/12/57/33/540125733.db2.gz	SNJCQGCFAFQANQ-UHFFFAOYSA-N	1	2	282.283	2.106	40	5		CEBBLO
O=[N+]([O-])c1ccccc1SNCCc1c[nH]c[nH+]1	ZINC000005387552	170093362	/nfs/dbraw/zinc/09/33/62/170093362.db2.gz	VZJLYRJOHQOULO-UHFFFAOYSA-N	1	2	264.310	2.157	40	5		CEBBLO
O=[N+]([O-])c1ccccc1SNCCc1c[nH+]c[nH]1	ZINC000005387552	170093364	/nfs/dbraw/zinc/09/33/64/170093364.db2.gz	VZJLYRJOHQOULO-UHFFFAOYSA-N	1	2	264.310	2.157	40	5		CEBBLO
CNc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(C2CC2)[nH+]1	ZINC000328970726	202134497	/nfs/dbraw/zinc/13/44/97/202134497.db2.gz	DLPKZRDVMOOLAZ-UHFFFAOYSA-N	1	2	299.334	2.200	40	5		CEBBLO
C[N@@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@H]2C1	ZINC000248022822	371155602	/nfs/dbraw/zinc/15/56/02/371155602.db2.gz	GAFCUVMEBFTFQJ-OXQOHEQNSA-N	1	2	281.359	2.492	40	5	world	CEBBLO
O=[N+]([O-])c1ccc(-c2[nH+]c(CO)c3ccccn32)cc1	ZINC000012249757	361375626	/nfs/dbraw/zinc/37/56/26/361375626.db2.gz	NKPMYPYLGMOEDJ-UHFFFAOYSA-N	1	2	269.260	2.402	40	5		CEBBLO
CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C2CC2)CC1	ZINC000071256238	176095642	/nfs/dbraw/zinc/09/56/42/176095642.db2.gz	GPJKINMHJLXZGC-UHFFFAOYSA-N	1	2	275.352	2.220	40	5		CEBBLO
CC[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2OC)CC1	ZINC000045886010	362170028	/nfs/dbraw/zinc/17/00/28/362170028.db2.gz	QNCLGSUINVTSCC-UHFFFAOYSA-N	1	2	299.758	2.399	40	5		CEBBLO
CCC[C@]1([N+](=O)[O-])COC[N@@H+](C2CCCCC2)C1	ZINC000031925018	361722951	/nfs/dbraw/zinc/72/29/51/361722951.db2.gz	YURAPZPHVWEHDL-CYBMUJFWSA-N	1	2	256.346	2.424	40	5		CEBBLO
CCC[C@]1([N+](=O)[O-])COC[N@H+](C2CCCCC2)C1	ZINC000031925018	361722955	/nfs/dbraw/zinc/72/29/55/361722955.db2.gz	YURAPZPHVWEHDL-CYBMUJFWSA-N	1	2	256.346	2.424	40	5		CEBBLO
C[NH+](C)/C=C/c1c(Br)cncc1[N+](=O)[O-]	ZINC000057719806	394564011	/nfs/dbraw/zinc/56/40/11/394564011.db2.gz	WWOCIGHHNAXTRI-ONEGZZNKSA-N	1	2	272.102	2.285	40	5		CEBBLO
C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000022006387	283171504	/nfs/dbraw/zinc/17/15/04/283171504.db2.gz	DXRCGGKIRYSZQP-UHFFFAOYSA-N	1	2	271.114	2.345	40	5		CEBBLO
C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1	ZINC000022006387	283171505	/nfs/dbraw/zinc/17/15/05/283171505.db2.gz	DXRCGGKIRYSZQP-UHFFFAOYSA-N	1	2	271.114	2.345	40	5		CEBBLO
CNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000329051968	265199848	/nfs/dbraw/zinc/19/98/48/265199848.db2.gz	VARMKWLMNCWIEI-UHFFFAOYSA-N	1	2	285.307	2.469	40	5		CEBBLO
O=[N+]([O-])c1ccc(N2CCCC2)cc1-n1cc[nH+]c1	ZINC000020436115	280365969	/nfs/dbraw/zinc/36/59/69/280365969.db2.gz	DFOUZCVYWSCYPD-UHFFFAOYSA-N	1	2	258.281	2.381	40	5		CEBBLO
Cc1cc(Cl)c(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000045886110	394510049	/nfs/dbraw/zinc/51/00/49/394510049.db2.gz	STSBVRVRQMEFFG-UHFFFAOYSA-N	1	2	269.732	2.308	40	5		CEBBLO
O=c1cc([NH2+]Nc2cc(Cl)ccc2[N+](=O)[O-])[nH][nH]1	ZINC000044459817	175177324	/nfs/dbraw/zinc/17/73/24/175177324.db2.gz	WVGUPYSWWWBXJZ-UHFFFAOYSA-N	1	2	269.648	2.116	40	5		CEBBLO
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C)CC1	ZINC000045885972	280656274	/nfs/dbraw/zinc/65/62/74/280656274.db2.gz	PWAFTVZUIUTCEQ-UHFFFAOYSA-N	1	2	269.732	2.308	40	5		CEBBLO
C[N@@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1	ZINC000248022819	394536514	/nfs/dbraw/zinc/53/65/14/394536514.db2.gz	GAFCUVMEBFTFQJ-OXJNMPFZSA-N	1	2	281.359	2.492	40	5	world	CEBBLO
CCC[C@@]1([N+](=O)[O-])COC[N@@H+](C2CCCCC2)C1	ZINC000031925017	361722611	/nfs/dbraw/zinc/72/26/11/361722611.db2.gz	YURAPZPHVWEHDL-ZDUSSCGKSA-N	1	2	256.346	2.424	40	5		CEBBLO
CCC[C@@]1([N+](=O)[O-])COC[N@H+](C2CCCCC2)C1	ZINC000031925017	361722616	/nfs/dbraw/zinc/72/26/16/361722616.db2.gz	YURAPZPHVWEHDL-ZDUSSCGKSA-N	1	2	256.346	2.424	40	5		CEBBLO
CNc1cc(N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-]	ZINC000045221422	277302226	/nfs/dbraw/zinc/30/22/26/277302226.db2.gz	IXYBTWTVYKYFHL-UHFFFAOYSA-N	1	2	284.747	2.042	40	5		CEBBLO
O=[N+]([O-])c1ccc(C=C2C=C[NH+](CCO)C=C2)cc1	ZINC000001585153	361210139	/nfs/dbraw/zinc/21/01/39/361210139.db2.gz	CWBKOUWCESQBBB-UHFFFAOYSA-N	1	2	258.277	2.314	40	5		CEBBLO
COc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCCC1	ZINC000013534950	361430426	/nfs/dbraw/zinc/43/04/26/361430426.db2.gz	VZBPBBBYPPJEOT-UHFFFAOYSA-N	1	2	293.323	2.028	40	5		CEBBLO
C[N@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@@H]2C1	ZINC000248022807	278573219	/nfs/dbraw/zinc/57/32/19/278573219.db2.gz	GAFCUVMEBFTFQJ-JXFKEZNVSA-N	1	2	281.359	2.492	40	5	world	CEBBLO
C[N@+]1([O-])CCN2c3[nH+]cccc3Cc3ccccc3[C@H]2C1	ZINC000248022825	394536357	/nfs/dbraw/zinc/53/63/57/394536357.db2.gz	GAFCUVMEBFTFQJ-UZLBHIALSA-N	1	2	281.359	2.492	40	5	world	CEBBLO
COc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C)CC1	ZINC000045885980	362169790	/nfs/dbraw/zinc/16/97/90/362169790.db2.gz	PQOSOZYNWYCRRU-UHFFFAOYSA-N	1	2	285.731	2.009	40	5		CEBBLO