smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN([C@H](CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])CC1	ZINC000065090399	205317321	/nfs/dbraw/zinc/31/73/21/205317321.db2.gz	XZVUOMPDTGHKIY-CYBMUJFWSA-N	-1	3	351.363	0.206	40	5		FCBBHM
CN1C(=O)N(C)C(=O)C([N-]c2ccc([N+](=O)[O-])cc2)(SCCO)C1=O	ZINC000005393003	204207142	/nfs/dbraw/zinc/20/71/42/204207142.db2.gz	MWOMTELXHKEHDM-UHFFFAOYSA-N	-1	3	368.371	0.479	40	5		FCBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C(=O)[O-])N1CCN(C)CC1	ZINC000022997044	487629085	/nfs/dbraw/zinc/62/90/85/487629085.db2.gz	OIFFSUNNAVKSFQ-AWEZNQCLSA-N	-1	3	350.375	0.932	40	5		FCBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C(=O)[O-])N1CCN(C)CC1	ZINC000022997047	487628551	/nfs/dbraw/zinc/62/85/51/487628551.db2.gz	OIFFSUNNAVKSFQ-CQSZACIVSA-N	-1	3	350.375	0.932	40	5		FCBBHM
CN1CCN([C@@H](CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C(=O)[O-])CC1	ZINC000065090398	488315957	/nfs/dbraw/zinc/31/59/57/488315957.db2.gz	XZVUOMPDTGHKIY-ZDUSSCGKSA-N	-1	3	351.363	0.206	40	5		FCBBHM
CCCn1nnc(NC(=S)[N-]C(=O)COc2ccc([N+](=O)[O-])cc2)n1	ZINC000032119242	208025157	/nfs/dbraw/zinc/02/51/57/208025157.db2.gz	FHGXOROOXGITDA-UHFFFAOYSA-N	-1	3	365.375	0.883	40	5		FCBBHM
CCCn1nnc(NC(=S)[N-]C(=O)COc2ccccc2[N+](=O)[O-])n1	ZINC000032118629	487769559	/nfs/dbraw/zinc/76/95/59/487769559.db2.gz	UWYVBYJJKUNLFQ-UHFFFAOYSA-N	-1	3	365.375	0.883	40	5		FCBBHM
O=c1[n-]c(=O)c2ncn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2[nH]1	ZINC000019593729	211240855	/nfs/dbraw/zinc/24/08/55/211240855.db2.gz	GMKUESQHNOWFLR-UHFFFAOYSA-N	-1	3	371.718	0.212	40	5		FCBBHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001575186	210360233	/nfs/dbraw/zinc/36/02/33/210360233.db2.gz	FQCZDYNWLAHGCW-CMPLNLGQSA-N	-1	3	361.310	0.827	40	5		FCBBHM
Cc1nc(N)[n-]c(=O)c1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008622414	487518904	/nfs/dbraw/zinc/51/89/04/487518904.db2.gz	XRNSEGPZNXHLFE-UHFFFAOYSA-N	-1	3	367.387	0.480	40	5		FCBBHM
NS(=O)(=O)c1ccc(N[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000016399673	211160904	/nfs/dbraw/zinc/16/09/04/211160904.db2.gz	YKVVGZWILGJPHS-UHFFFAOYSA-N	-1	3	372.384	0.548	40	5		FCBBHM
CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000017075044	211176885	/nfs/dbraw/zinc/17/68/85/211176885.db2.gz	YVMVMOBYPGSRQH-UHFFFAOYSA-N	-1	3	365.375	0.883	40	5		FCBBHM
CCCn1nnnc1NC(=S)[N-]C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000017075043	211177577	/nfs/dbraw/zinc/17/75/77/211177577.db2.gz	ZNRWESXQMATJGZ-UHFFFAOYSA-N	-1	3	365.375	0.883	40	5		FCBBHM
CCOC(=O)[C@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001575184	487470104	/nfs/dbraw/zinc/47/01/04/487470104.db2.gz	FQCZDYNWLAHGCW-JQWIXIFHSA-N	-1	3	361.310	0.827	40	5		FCBBHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001575187	487470035	/nfs/dbraw/zinc/47/00/35/487470035.db2.gz	FQCZDYNWLAHGCW-ZYHUDNBSSA-N	-1	3	361.310	0.827	40	5		FCBBHM
CCOC(=O)[C@@H]1Cc2c(=O)[n-]c(=O)[nH]c2O[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001575185	487470156	/nfs/dbraw/zinc/47/01/56/487470156.db2.gz	FQCZDYNWLAHGCW-PWSUYJOCSA-N	-1	3	361.310	0.827	40	5		FCBBHM