smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1sccc1S(=O)(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000021288964	212218041	/nfs/dbraw/zinc/21/80/41/212218041.db2.gz	JLLYPKOARIBHSX-UHFFFAOYSA-N	-1	2	328.327	2.155	10	5	in-vitro	EEBELM
COCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1	ZINC000103202005	159274280	/nfs/dbraw/zinc/27/42/80/159274280.db2.gz	FXBJPSYBNRMETO-UHFFFAOYSA-N	-1	2	343.299	2.372	10	5		EEBELM
O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1F	ZINC000358507340	465165764	/nfs/dbraw/zinc/16/57/64/465165764.db2.gz	KNQDAZDTYFVNGZ-UHFFFAOYSA-N	-1	2	346.317	2.294	10	5		EEBELM
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C(=O)[O-]	ZINC000362125459	164577723	/nfs/dbraw/zinc/57/77/23/164577723.db2.gz	OQZVKWYDUGXQGD-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1[O-]	ZINC000037326226	213140408	/nfs/dbraw/zinc/14/04/08/213140408.db2.gz	XQCOECXBTHIMDF-UHFFFAOYSA-N	-1	2	329.721	2.150	10	5		EEBELM
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594461564	468595675	/nfs/dbraw/zinc/59/56/75/468595675.db2.gz	HKCKSPZELBSONP-INTQDDNPSA-N	-1	2	336.344	2.166	10	5		EEBELM
Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])s1	ZINC000387846731	467394790	/nfs/dbraw/zinc/39/47/90/467394790.db2.gz	HOPSRCMMAJEWNA-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000361969260	466447712	/nfs/dbraw/zinc/44/77/12/466447712.db2.gz	AKRPNLRUHQNYAF-UHFFFAOYSA-N	-1	2	342.354	2.084	10	5		EEBELM
Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C(=O)[O-]	ZINC000342272524	161052684	/nfs/dbraw/zinc/05/26/84/161052684.db2.gz	JACSETFKXJMLBE-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
CCc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000157402960	292568016	/nfs/dbraw/zinc/56/80/16/292568016.db2.gz	WCNDDMYWXDUFHR-UHFFFAOYSA-N	-1	2	341.345	2.268	10	5		EEBELM
O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000431726030	314653657	/nfs/dbraw/zinc/65/36/57/314653657.db2.gz	PEXRRZZPPYQOBW-UHFFFAOYSA-N	-1	2	342.336	2.493	10	5		EEBELM
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(C)o1	ZINC000563493858	319015323	/nfs/dbraw/zinc/01/53/23/319015323.db2.gz	RPJLVHCQQQVTKE-UHFFFAOYSA-N	-1	2	340.313	2.304	10	5		EEBELM
Cc1ccsc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000569661153	319595756	/nfs/dbraw/zinc/59/57/56/319595756.db2.gz	XGCNFFPCQWTXOE-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000062823940	462623590	/nfs/dbraw/zinc/62/35/90/462623590.db2.gz	LDSISAAMAWHOJB-UHFFFAOYSA-N	-1	2	328.327	2.155	10	5		EEBELM
Cc1ccsc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548550952	318395645	/nfs/dbraw/zinc/39/56/45/318395645.db2.gz	OYGCCWHCDHCSBW-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F	ZINC000339074535	465067541	/nfs/dbraw/zinc/06/75/41/465067541.db2.gz	AXDAUWDSVKYITA-UHFFFAOYSA-N	-1	2	346.317	2.294	10	5		EEBELM
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000594461563	468595579	/nfs/dbraw/zinc/59/55/79/468595579.db2.gz	HKCKSPZELBSONP-DVVUODLYSA-N	-1	2	336.344	2.166	10	5		EEBELM
O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000353056073	465606847	/nfs/dbraw/zinc/60/68/47/465606847.db2.gz	UKZZOWLGLVEFED-UHFFFAOYSA-N	-1	2	342.354	2.084	10	5		EEBELM
COc1cc(C[N@@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)ccc1[N+](=O)[O-]	ZINC000450897054	467199774	/nfs/dbraw/zinc/19/97/74/467199774.db2.gz	PVOZZLOTVGESMF-LLVKDONJSA-N	-1	2	334.332	2.072	10	5		EEBELM
O=C([O-])c1c(NS(=O)(=O)c2cccs2)cccc1[N+](=O)[O-]	ZINC000548557703	318395832	/nfs/dbraw/zinc/39/58/32/318395832.db2.gz	MIKNFABUKOOPGY-UHFFFAOYSA-N	-1	2	328.327	2.155	10	5		EEBELM
O=C([O-])/C=C\c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000033290886	463420584	/nfs/dbraw/zinc/42/05/84/463420584.db2.gz	XLTQPQRVDRARKQ-HJWRWDBZSA-N	-1	2	348.336	2.493	10	5		EEBELM
COc1cc(C[N@@H+]2CCC[C@H](C3N=NC(=O)O3)C2)ccc1[N+](=O)[O-]	ZINC000450897055	467200133	/nfs/dbraw/zinc/20/01/33/467200133.db2.gz	PVOZZLOTVGESMF-NSHDSACASA-N	-1	2	334.332	2.072	10	5		EEBELM
CCc1nc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1	ZINC000360804666	164383581	/nfs/dbraw/zinc/38/35/81/164383581.db2.gz	XLDIDMQMLUYRRL-UHFFFAOYSA-N	-1	2	343.386	2.429	10	5		EEBELM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C(=O)[O-]	ZINC000342958996	465416058	/nfs/dbraw/zinc/41/60/58/465416058.db2.gz	FUPFEAUKJYRALB-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cccc1C(=O)[O-]	ZINC000342974306	465425782	/nfs/dbraw/zinc/42/57/82/465425782.db2.gz	WMWHQROICOTWJU-UHFFFAOYSA-N	-1	2	342.354	2.464	10	5		EEBELM