smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)Cc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000059475041	402104278	/nfs/dbraw/zinc/10/42/78/402104278.db2.gz	KOBLPBHIUQWSEJ-UHFFFAOYSA-N	-1	1	320.330	2.220	40	5		DEBBMM
O=C([O-])CSc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1	ZINC000224972248	402315358	/nfs/dbraw/zinc/31/53/58/402315358.db2.gz	UJCXSTICLPARKH-UHFFFAOYSA-N	-1	1	314.710	2.210	40	5		DEBBMM
Cc1ccc(NC(=O)CSc2nccc(=O)[n-]2)cc1[N+](=O)[O-]	ZINC000408543831	227244677	/nfs/dbraw/zinc/24/46/77/227244677.db2.gz	RNTARSUERJPOSD-UHFFFAOYSA-N	-1	1	320.330	2.130	40	5		DEBBMM
O=C(C=C([O-])C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000103009124	402176138	/nfs/dbraw/zinc/17/61/38/402176138.db2.gz	NXDWXBACIUIESD-UHFFFAOYSA-N	-1	1	312.281	2.375	40	5		DEBBMM
Cc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1N	ZINC000005260207	181223444	/nfs/dbraw/zinc/22/34/44/181223444.db2.gz	YQDJGWUVXNVEEE-UHFFFAOYSA-N	-1	1	307.331	2.286	40	5		DEBBMM
O=Cc1ccc([O-])c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000019075511	182103847	/nfs/dbraw/zinc/10/38/47/182103847.db2.gz	VJTUDYRMYKSPFV-UHFFFAOYSA-N	-1	1	301.254	2.470	40	5		DEBBMM
Cc1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2O)C(=O)[O-])o1	ZINC000038276282	354167191	/nfs/dbraw/zinc/16/71/91/354167191.db2.gz	UZKSLPVHYDUGGA-YHYXMXQVSA-N	-1	1	323.286	2.210	40	5		DEBBMM
O=C1[N-]C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)N1	ZINC000005567058	181257779	/nfs/dbraw/zinc/25/77/79/181257779.db2.gz	WTWNLXAYLHVYRK-XFSBKJJWSA-N	-1	1	302.073	2.082	40	5		DEBBMM
COC(=O)c1cc([O-])cc2oc3cc(C)cc(O)c3c(=O)c21	ZINC000013335396	401798762	/nfs/dbraw/zinc/79/87/62/401798762.db2.gz	MJOGVUMPZLEYIH-UHFFFAOYSA-N	-1	1	300.266	2.452	40	5	biogenic,in-vitro	DEBBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)c1	ZINC000078403684	401849942	/nfs/dbraw/zinc/84/99/42/401849942.db2.gz	FONVWLTVQLNOPW-UHFFFAOYSA-N	-1	1	319.342	2.364	40	5		DEBBMM
O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc([O-])cc1	ZINC000016449406	182045156	/nfs/dbraw/zinc/04/51/56/182045156.db2.gz	URRJAJJFLZIZIN-UHFFFAOYSA-N	-1	1	301.254	2.340	40	5		DEBBMM
COc1ccccc1Nc1[n-]c(=NN(C)C)nc(C)c1[N+](=O)[O-]	ZINC000005330503	181230309	/nfs/dbraw/zinc/23/03/09/181230309.db2.gz	YORJCESKDFBLRK-UHFFFAOYSA-N	-1	1	318.337	2.334	40	5		DEBBMM
Cn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	ZINC000009273433	401760412	/nfs/dbraw/zinc/76/04/12/401760412.db2.gz	DPGUJUVABCSAOV-VOTSOKGWSA-N	-1	1	312.285	2.046	40	5		DEBBMM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nccc(=O)[n-]1	ZINC000408545056	534340249	/nfs/dbraw/zinc/34/02/49/534340249.db2.gz	YEGCZYUVMZZZMU-UHFFFAOYSA-N	-1	1	320.330	2.130	40	5		DEBBMM
O=C(Nc1ccccc1[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000002383791	401713307	/nfs/dbraw/zinc/71/33/07/401713307.db2.gz	HMQOJYMXOROBGH-UHFFFAOYSA-N	-1	1	303.230	2.461	40	5		DEBBMM