smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H]1c2cc([N+](=O)[O-])ccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000100236502	426481487	/nfs/dbraw/zinc/48/14/87/426481487.db2.gz	QBIBPATVDVKHMF-AWEZNQCLSA-N	1	1	317.732	2.795	10	5		DFBEMO
Cc1cccc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])n1	ZINC000040584488	183105433	/nfs/dbraw/zinc/10/54/33/183105433.db2.gz	NNBABXIMLSXYFW-UHFFFAOYSA-N	1	1	323.316	2.970	10	5		DFBEMO
Cc1ccnc(Nc2ncnc(Nc3cc[nH+]cc3)c2[N+](=O)[O-])c1	ZINC000040586280	183106292	/nfs/dbraw/zinc/10/62/92/183106292.db2.gz	OSEIBDAOKCMZNM-UHFFFAOYSA-N	1	1	323.316	2.970	10	5		DFBEMO
O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccn1	ZINC000040586377	183106005	/nfs/dbraw/zinc/10/60/05/183106005.db2.gz	VTBYBWFWCICRQB-UHFFFAOYSA-N	1	1	309.289	2.662	10	5		DFBEMO
O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Nc1cc[nH+]cc1	ZINC000040586271	183105729	/nfs/dbraw/zinc/10/57/29/183105729.db2.gz	HYJGDSYSXSTKMF-UHFFFAOYSA-N	1	1	309.289	2.662	10	5		DFBEMO
Cc1cccnc1Nc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-]	ZINC000040586357	183105607	/nfs/dbraw/zinc/10/56/07/183105607.db2.gz	OWFMUCCJUKPGKZ-UHFFFAOYSA-N	1	1	323.316	2.970	10	5		DFBEMO
COc1ccc(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])o2)cc1OC	ZINC000023114720	182348766	/nfs/dbraw/zinc/34/87/66/182348766.db2.gz	XSBGUQLVVRYPMC-UHFFFAOYSA-N	1	1	320.345	2.880	10	5		DFBEMO
[NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000016082935	182031957	/nfs/dbraw/zinc/03/19/57/182031957.db2.gz	QBIBPATVDVKHMF-CQSZACIVSA-N	1	1	317.732	2.795	10	5		DFBEMO
[NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(Cl)cc2)C1=O	ZINC000019795688	182150838	/nfs/dbraw/zinc/15/08/38/182150838.db2.gz	UNTQOZDAJJEDCM-CQSZACIVSA-N	1	1	317.732	2.795	10	5		DFBEMO
COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2[N+](=O)[O-])cc1	ZINC000118659028	398771820	/nfs/dbraw/zinc/77/18/20/398771820.db2.gz	IFUHSIULUFPYKO-ZWKOTPCHSA-N	1	1	312.369	2.940	10	5		DFBEMO
[NH3+][C@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccc(Cl)cc2)C1=O	ZINC000100236496	426481392	/nfs/dbraw/zinc/48/13/92/426481392.db2.gz	UNTQOZDAJJEDCM-AWEZNQCLSA-N	1	1	317.732	2.795	10	5		DFBEMO
[NH3+][C@@H]1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2Cl)C1=O	ZINC000008699597	425673131	/nfs/dbraw/zinc/67/31/31/425673131.db2.gz	ZKVDJYPBJUDUID-CQSZACIVSA-N	1	1	317.732	2.795	10	5		DFBEMO
O=[N+]([O-])c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl	ZINC000261952974	146309175	/nfs/dbraw/zinc/30/91/75/146309175.db2.gz	GGBCAVPWIHQCLS-UHFFFAOYSA-N	1	1	309.797	2.824	10	5		DFBEMO
O=[N+]([O-])c1cc(CN2CCC3(C2)CC[NH2+]CC3)ccc1Cl	ZINC000261952974	146309179	/nfs/dbraw/zinc/30/91/79/146309179.db2.gz	GGBCAVPWIHQCLS-UHFFFAOYSA-N	1	1	309.797	2.824	10	5		DFBEMO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCC2(CC1)OCCO2	ZINC000039175375	398558191	/nfs/dbraw/zinc/55/81/91/398558191.db2.gz	ZMFIJGHLDTVQGP-UHFFFAOYSA-N	1	1	306.362	2.712	10	5		DFBEMO
CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCC1	ZINC000145522968	398908146	/nfs/dbraw/zinc/90/81/46/398908146.db2.gz	SAXUVFOQESXXCD-UHFFFAOYSA-N	1	1	305.378	2.927	10	5		DFBEMO