smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009316022	571247520	/nfs/dbraw/zinc/24/75/20/571247520.db2.gz	ZIOKNBXKBIBIJC-KOLCDFICSA-N	0	0	416.368	-1.543	50	5		HABARN
NC(=O)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009316025	571247536	/nfs/dbraw/zinc/24/75/36/571247536.db2.gz	ZIOKNBXKBIBIJC-ONGXEEELSA-N	0	0	416.368	-1.543	50	5		HABARN
CN(C)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(N)=O)cc1[N+](=O)[O-]	ZINC000009512215	571264289	/nfs/dbraw/zinc/26/42/89/571264289.db2.gz	SKZFCZIMTLCTAO-UHFFFAOYSA-N	0	0	403.373	-1.323	50	5		HABARN
COCCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009600308	571272927	/nfs/dbraw/zinc/27/29/27/571272927.db2.gz	VJUCLEVLFDJUBX-CYBMUJFWSA-N	0	0	416.412	-1.179	50	5		HABARN
COCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009600309	571272922	/nfs/dbraw/zinc/27/29/22/571272922.db2.gz	VJUCLEVLFDJUBX-ZDUSSCGKSA-N	0	0	416.412	-1.179	50	5		HABARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000019330114	569419828	/nfs/dbraw/zinc/41/98/28/569419828.db2.gz	FQZUBSBSVVDWLO-WAFDDFHDSA-N	0	0	406.392	-3.550	50	5		HABARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000019332144	569419839	/nfs/dbraw/zinc/41/98/39/569419839.db2.gz	FQZUBSBSVVDWLO-VBZWQPIMSA-N	0	0	406.392	-3.550	50	5		HABARN
COC(=O)CCC(=O)N1CN2CN(C(=O)CCC(=O)OC)CC([N+](=O)[O-])(C2)C1	ZINC000020065878	568586986	/nfs/dbraw/zinc/58/69/86/568586986.db2.gz	AMLMRGWKPTWFIL-UHFFFAOYSA-N	0	0	400.388	-1.190	50	5		HABARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000239302848	569232495	/nfs/dbraw/zinc/23/24/95/569232495.db2.gz	FQZUBSBSVVDWLO-LBUIGKIFSA-N	0	0	406.392	-3.550	50	5		HABARN
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000239302849	569232441	/nfs/dbraw/zinc/23/24/41/569232441.db2.gz	FQZUBSBSVVDWLO-YJPORDMESA-N	0	0	406.392	-3.550	50	5		HABARN
NS(=O)(=O)CCOCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000242087998	1071541905	/nfs/dbraw/zinc/54/19/05/1071541905.db2.gz	WAZMISUJECMUDO-UHFFFAOYSA-N	0	0	411.414	-1.051	50	5		HABARN