smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](c1ccc([N+](=O)[O-])cc1)N1C[C@H](N)[C@H](C(=O)N2CCCC2)C1	ZINC000028955065	202179668	/nfs/dbraw/zinc/17/96/68/202179668.db2.gz	FVEPPGNZFFPAJK-WQVCFCJDSA-N	0	3	332.404	1.537	1	5		EDBFHN
CC(=O)Nc1ccc(CO[C@H](O)CN2CCCCC2)cc1[N+](=O)[O-]	ZINC000005663642	210511806	/nfs/dbraw/zinc/51/18/06/210511806.db2.gz	SBSAPGGSRJWVNA-INIZCTEOSA-N	0	3	337.376	1.874	1	5		EDBFHN
CC(=O)O[C@H]1C[C@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1N2C	ZINC000040835298	213391708	/nfs/dbraw/zinc/39/17/08/213391708.db2.gz	TUZGSZRCHIXFHP-WCVJEAGWSA-N	0	3	348.355	1.918	1	5		EDBFHN
CN(C)CCNC(=O)c1cccc2nc3ccc4cnn(C)c4c3nc21	ZINC000027851709	202160366	/nfs/dbraw/zinc/16/03/66/202160366.db2.gz	OKRIKDYVMDGFJU-UHFFFAOYSA-N	0	3	348.410	1.961	1	5		EDBFHN
CN(C)CCCNc1ccc2nnn3c2c1c(=O)c1cc(O)ccc13	ZINC000005732933	210527037	/nfs/dbraw/zinc/52/70/37/210527037.db2.gz	GGLHADFEHBYVER-UHFFFAOYSA-N	0	3	337.383	1.903	1	5		EDBFHN
O=[N+]([O-])c1ccc(Nc2nc(N3CCNCC3)nc3nc[nH]c32)cc1	ZINC000053312400	132187404	/nfs/dbraw/zinc/18/74/04/132187404.db2.gz	RUYAHSVDAVKMTN-UHFFFAOYSA-N	0	3	340.347	1.414	1	5		EDBFHN
CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]1N2C	ZINC000040835300	213392207	/nfs/dbraw/zinc/39/22/07/213392207.db2.gz	TUZGSZRCHIXFHP-JJXSEGSLSA-N	0	3	348.355	1.918	1	5		EDBFHN
CN(C)CCN(C)c1ccc2nnn3c2c1c(=O)c1cc(O)ccc13	ZINC000103222447	219271122	/nfs/dbraw/zinc/27/11/22/219271122.db2.gz	LBAOQGUZZIMXJR-UHFFFAOYSA-N	0	3	337.383	1.537	1	5		EDBFHN
N[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1	ZINC000040847913	213393029	/nfs/dbraw/zinc/39/30/29/213393029.db2.gz	LUAXIZMRCSGLOX-CYBMUJFWSA-N	0	3	344.327	1.803	1	5		EDBFHN
Cc1ccc2c(c1)c(=O)c1c3c(ccc1NCCNCCO)nnn32	ZINC000101455290	204007311	/nfs/dbraw/zinc/00/73/11/204007311.db2.gz	WAQQGGWBCGSMEV-UHFFFAOYSA-N	0	3	337.383	1.136	1	5		EDBFHN
CN(C)CCNC(=O)c1cccc2nc3ccc4[nH]cnc4c3nc21	ZINC000027869141	202161155	/nfs/dbraw/zinc/16/11/55/202161155.db2.gz	LZNAXHHLXXSVCV-UHFFFAOYSA-N	0	3	334.383	1.951	1	5		EDBFHN
O=[N+]([O-])c1cccc(Nc2nc(N3CCNCC3)nc3nc[nH]c32)c1	ZINC000053243525	132186404	/nfs/dbraw/zinc/18/64/04/132186404.db2.gz	SCCMIWFHGDWLTM-UHFFFAOYSA-N	0	3	340.347	1.414	1	5		EDBFHN