smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000580409406	381278940	/nfs/dbraw/zinc/27/89/40/381278940.db2.gz	IMSNMKPEZCXLEJ-RXMQYKEDSA-N	-2	1	338.319	-0.049	20	5		EBBDML
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000737572286	583016506	/nfs/dbraw/zinc/01/65/06/583016506.db2.gz	ARPMQBQHEQJKSI-ZCFIWIBFSA-N	-2	1	333.278	-0.716	20	5		EBBDML
O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000319532225	376152128	/nfs/dbraw/zinc/15/21/28/376152128.db2.gz	OUYPPYANQXIWLU-ZCFIWIBFSA-N	-2	1	336.253	-0.060	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1nccc(O)c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225664450	811823572	/nfs/dbraw/zinc/82/35/72/811823572.db2.gz	OJAVBLFPLVUFMB-SPGJFGJESA-N	-2	1	330.205	-0.863	20	5		EBBDML
CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001226309810	811859481	/nfs/dbraw/zinc/85/94/81/811859481.db2.gz	JKDXLNVMMNCGSX-LURJTMIESA-N	-2	1	344.232	-0.387	20	5		EBBDML
Cc1cc(O)c([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001231263574	812284054	/nfs/dbraw/zinc/28/40/54/812284054.db2.gz	LKNOIPJULBQPJN-CDUCUWFYSA-N	-2	1	344.232	-0.554	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])n1	ZINC000576888760	381930439	/nfs/dbraw/zinc/93/04/39/381930439.db2.gz	QMEOMHPFXNFTGS-SNVBAGLBSA-N	-2	1	334.310	-0.667	20	5		EBBDML
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000568352380	378381143	/nfs/dbraw/zinc/38/11/43/378381143.db2.gz	AAHMGWYUTKWBFU-UHFFFAOYSA-N	-2	1	337.335	-0.475	20	5		EBBDML
NC(=O)CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275112838	303248167	/nfs/dbraw/zinc/24/81/67/303248167.db2.gz	SBGBHNBZJAHSJC-ZETCQYMHSA-N	-2	1	349.296	-0.269	20	5		EBBDML
O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000826425863	583901093	/nfs/dbraw/zinc/90/10/93/583901093.db2.gz	WYBAPHUNPBIHRZ-UHFFFAOYSA-N	-2	1	331.252	-0.289	20	5		EBBDML
O=C([O-])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826461041	583902723	/nfs/dbraw/zinc/90/27/23/583902723.db2.gz	COAARAPLRWPJOF-UHFFFAOYSA-N	-2	1	328.266	-0.862	20	5		EBBDML
Cc1cc(O)c([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001231263575	812284910	/nfs/dbraw/zinc/28/49/10/812284910.db2.gz	LKNOIPJULBQPJN-MLUIRONXSA-N	-2	1	344.232	-0.554	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c([N+](=O)[O-])n1	ZINC000352906077	379686346	/nfs/dbraw/zinc/68/63/46/379686346.db2.gz	CMGVCWWVURQUSP-UHFFFAOYSA-N	-2	1	332.298	-0.992	20	5		EBBDML
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548209739	381910418	/nfs/dbraw/zinc/91/04/18/381910418.db2.gz	ONZXGFISQWYQNV-RXMQYKEDSA-N	-2	1	337.335	-0.347	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc([O-])c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228973787	812007105	/nfs/dbraw/zinc/00/71/05/812007105.db2.gz	MEHGFPPUVVQQEH-RRAGMBSWSA-N	-4	1	345.216	-0.552	20	5		EBBDML
O=C([O-])C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000319532215	376151519	/nfs/dbraw/zinc/15/15/19/376151519.db2.gz	OUYPPYANQXIWLU-LURJTMIESA-N	-2	1	336.253	-0.060	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@](C)(COC)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000583810220	381144676	/nfs/dbraw/zinc/14/46/76/381144676.db2.gz	BZSDNTKHMPNKKZ-JTQLQIEISA-N	-2	1	336.326	-0.421	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1cc([O-])cc([O-])c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228973788	812007291	/nfs/dbraw/zinc/00/72/91/812007291.db2.gz	MEHGFPPUVVQQEH-XUOSJQGZSA-N	-4	1	345.216	-0.552	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])n1	ZINC000515467928	419084668	/nfs/dbraw/zinc/08/46/68/419084668.db2.gz	WMGDAAOMGHRHPJ-LLVKDONJSA-N	-2	1	348.337	-0.277	20	5		EBBDML
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000737572285	583016562	/nfs/dbraw/zinc/01/65/62/583016562.db2.gz	ARPMQBQHEQJKSI-LURJTMIESA-N	-2	1	333.278	-0.716	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-]CCSCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000547939275	381776274	/nfs/dbraw/zinc/77/62/74/381776274.db2.gz	DGRXZNNKPNWECV-UHFFFAOYSA-N	-2	1	338.367	-0.093	20	5		EBBDML
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)[O-]	ZINC000824640640	583848092	/nfs/dbraw/zinc/84/80/92/583848092.db2.gz	MRNZGHUPWFKRIA-RXMQYKEDSA-N	-2	1	342.293	-0.474	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1nccc(O)c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225664451	811823699	/nfs/dbraw/zinc/82/36/99/811823699.db2.gz	OJAVBLFPLVUFMB-VHWMUFPASA-N	-2	1	330.205	-0.863	20	5		EBBDML
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1)C(=O)[O-]	ZINC000824640641	583848089	/nfs/dbraw/zinc/84/80/89/583848089.db2.gz	MRNZGHUPWFKRIA-YFKPBYRVSA-N	-2	1	342.293	-0.474	20	5		EBBDML
O=C(Oc1cc([O-])cc([O-])c1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001228974626	812007168	/nfs/dbraw/zinc/00/71/68/812007168.db2.gz	UUSKETJVZDWMLE-ZCFIWIBFSA-N	-4	1	339.149	-0.618	20	5		EBBDML
Cc1cc(O)c([N+](=O)[O-])c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001231263576	812284244	/nfs/dbraw/zinc/28/42/44/812284244.db2.gz	LKNOIPJULBQPJN-SSDLBLMSSA-N	-2	1	344.232	-0.554	20	5		EBBDML
Cc1cc([O-])c([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001231264880	812285568	/nfs/dbraw/zinc/28/55/68/812285568.db2.gz	VOUVCVMHUPFQGE-ZCFIWIBFSA-N	-3	1	338.165	-0.621	20	5		EBBDML
Cc1cc(O)c([N+](=O)[O-])c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001231264880	812285573	/nfs/dbraw/zinc/28/55/73/812285573.db2.gz	VOUVCVMHUPFQGE-ZCFIWIBFSA-N	-2	1	338.165	-0.621	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CCOC)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548530398	379741207	/nfs/dbraw/zinc/74/12/07/379741207.db2.gz	QUPNQMXUARXZKB-ZETCQYMHSA-N	-2	1	336.326	-0.421	20	5		EBBDML
O=C([O-])CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000826461243	583902733	/nfs/dbraw/zinc/90/27/33/583902733.db2.gz	MOIXJPJMUGQLEE-UHFFFAOYSA-N	-2	1	342.293	-0.472	20	5		EBBDML
CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264118	379736078	/nfs/dbraw/zinc/73/60/78/379736078.db2.gz	NZOAYGXYMFSGLZ-MRVPVSSYSA-N	-2	1	348.337	-0.088	20	5		EBBDML
NC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000548570458	379742692	/nfs/dbraw/zinc/74/26/92/379742692.db2.gz	ONZXGFISQWYQNV-YFKPBYRVSA-N	-2	1	337.335	-0.347	20	5		EBBDML
COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)[O-]	ZINC000737594467	583018472	/nfs/dbraw/zinc/01/84/72/583018472.db2.gz	ZVAVZVXCMRGDMK-ZCFIWIBFSA-N	-2	1	333.278	-0.716	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(=O)[O-]	ZINC001229394853	812031163	/nfs/dbraw/zinc/03/11/63/812031163.db2.gz	CGTWSHBZTYGILH-WKEGUHRASA-N	-3	1	329.217	-0.258	20	5		EBBDML
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nn1	ZINC000572814360	375906156	/nfs/dbraw/zinc/90/61/56/375906156.db2.gz	KDSCWBSTVTUFQB-UHFFFAOYSA-N	-2	1	347.334	-0.189	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(=O)[O-]	ZINC001229394851	812031773	/nfs/dbraw/zinc/03/17/73/812031773.db2.gz	CGTWSHBZTYGILH-QUBYGPBYSA-N	-3	1	329.217	-0.258	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])n1	ZINC000554538049	379197445	/nfs/dbraw/zinc/19/74/45/379197445.db2.gz	GOYXAPZFVPGFGE-UHFFFAOYSA-N	-2	1	348.337	-0.277	20	5		EBBDML
CCOC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000574373640	380764174	/nfs/dbraw/zinc/76/41/74/380764174.db2.gz	YWGYEZWWCOREJS-ZETCQYMHSA-N	-2	1	336.326	-0.421	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1nccc(O)c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225664449	811822921	/nfs/dbraw/zinc/82/29/21/811822921.db2.gz	OJAVBLFPLVUFMB-RNHFCUEFSA-N	-2	1	330.205	-0.863	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc([O-])c1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228973786	812007155	/nfs/dbraw/zinc/00/71/55/812007155.db2.gz	MEHGFPPUVVQQEH-GPXNAGAYSA-N	-4	1	345.216	-0.552	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000594719978	377949671	/nfs/dbraw/zinc/94/96/71/377949671.db2.gz	MITUXQMWYLPHSJ-SVRRBLITSA-N	-2	1	334.310	-0.668	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@](C)(COC)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000583810221	381145143	/nfs/dbraw/zinc/14/51/43/381145143.db2.gz	BZSDNTKHMPNKKZ-SNVBAGLBSA-N	-2	1	336.326	-0.421	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c([N+](=O)[O-])n1	ZINC000530435630	420927002	/nfs/dbraw/zinc/92/70/02/420927002.db2.gz	DAKIBSVCYNFZEE-SSDOTTSWSA-N	-2	1	336.326	-0.421	20	5		EBBDML
NC(=O)CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000275112830	303247730	/nfs/dbraw/zinc/24/77/30/303247730.db2.gz	SBGBHNBZJAHSJC-SSDOTTSWSA-N	-2	1	349.296	-0.269	20	5		EBBDML
COC(=O)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)[O-]	ZINC000737594463	583018426	/nfs/dbraw/zinc/01/84/26/583018426.db2.gz	ZVAVZVXCMRGDMK-LURJTMIESA-N	-2	1	333.278	-0.716	20	5		EBBDML
CCOC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000562273838	376735951	/nfs/dbraw/zinc/73/59/51/376735951.db2.gz	YWGYEZWWCOREJS-SSDOTTSWSA-N	-2	1	336.326	-0.421	20	5		EBBDML
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000278310457	304068512	/nfs/dbraw/zinc/06/85/12/304068512.db2.gz	SMQNCNYFVLRYGC-UHFFFAOYSA-N	-2	1	349.296	-0.397	20	5		EBBDML
CCC(=O)C[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(=O)[O-]	ZINC000548264119	379737050	/nfs/dbraw/zinc/73/70/50/379737050.db2.gz	NZOAYGXYMFSGLZ-QMMMGPOBSA-N	-2	1	348.337	-0.088	20	5		EBBDML
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nn1	ZINC000574587876	380808444	/nfs/dbraw/zinc/80/84/44/380808444.db2.gz	OTEZKVUZLYVGRT-UHFFFAOYSA-N	-2	1	347.334	-0.076	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])n1	ZINC000576888752	381930178	/nfs/dbraw/zinc/93/01/78/381930178.db2.gz	QMEOMHPFXNFTGS-JTQLQIEISA-N	-2	1	334.310	-0.667	20	5		EBBDML
O=C([O-])C1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1	ZINC000596026448	420680631	/nfs/dbraw/zinc/68/06/31/420680631.db2.gz	KATPJSRRANVIBJ-UHFFFAOYSA-N	-2	1	331.306	-0.098	20	5		EBBDML
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1	ZINC000344189798	420578756	/nfs/dbraw/zinc/57/87/56/420578756.db2.gz	QUFQCXARMFWDCU-UHFFFAOYSA-N	-2	1	332.323	0.398	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(=O)[O-]	ZINC001229394850	812030569	/nfs/dbraw/zinc/03/05/69/812030569.db2.gz	CGTWSHBZTYGILH-LHLIQPBNSA-N	-3	1	329.217	-0.258	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000863410503	584370083	/nfs/dbraw/zinc/37/00/83/584370083.db2.gz	FFTZQIQIVNTRNF-ZETCQYMHSA-N	-2	1	334.310	-0.478	20	5		EBBDML
O=C(Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227743123	811940264	/nfs/dbraw/zinc/94/02/64/811940264.db2.gz	JLAYUUNHLUANPV-MRVPVSSYSA-N	-3	1	347.176	-0.153	20	5		EBBDML
O=C(Oc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227743123	811940266	/nfs/dbraw/zinc/94/02/66/811940266.db2.gz	JLAYUUNHLUANPV-MRVPVSSYSA-N	-2	1	347.176	-0.153	20	5		EBBDML
CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001226309811	811859426	/nfs/dbraw/zinc/85/94/26/811859426.db2.gz	JKDXLNVMMNCGSX-ZCFIWIBFSA-N	-2	1	344.232	-0.387	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1cc([O-])cc([O-])c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228973779	812008008	/nfs/dbraw/zinc/00/80/08/812008008.db2.gz	MEHGFPPUVVQQEH-FWOIEVBISA-N	-4	1	345.216	-0.552	20	5		EBBDML
CN(CC(=O)[O-])S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1	ZINC000825897860	583870290	/nfs/dbraw/zinc/87/02/90/583870290.db2.gz	OVKMIYOOLQEOQL-UHFFFAOYSA-N	-2	1	342.293	-0.520	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@H](CCOC)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000548530395	379741306	/nfs/dbraw/zinc/74/13/06/379741306.db2.gz	QUPNQMXUARXZKB-SSDOTTSWSA-N	-2	1	336.326	-0.421	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])n1	ZINC000515467929	419084941	/nfs/dbraw/zinc/08/49/41/419084941.db2.gz	WMGDAAOMGHRHPJ-NSHDSACASA-N	-2	1	348.337	-0.277	20	5		EBBDML
COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000547873982	381659012	/nfs/dbraw/zinc/65/90/12/381659012.db2.gz	IMSNMKPEZCXLEJ-YFKPBYRVSA-N	-2	1	338.319	-0.049	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c([N+](=O)[O-])n1	ZINC000530435631	420927575	/nfs/dbraw/zinc/92/75/75/420927575.db2.gz	DAKIBSVCYNFZEE-ZETCQYMHSA-N	-2	1	336.326	-0.421	20	5		EBBDML
CCn1cc(S(=O)(=O)[N-][C@H](CC(C)=O)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000863410502	584370151	/nfs/dbraw/zinc/37/01/51/584370151.db2.gz	FFTZQIQIVNTRNF-SSDOTTSWSA-N	-2	1	334.310	-0.478	20	5		EBBDML
O=C([O-])C[C@H](C(=O)Oc1nccc(O)c1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225664448	811822675	/nfs/dbraw/zinc/82/26/75/811822675.db2.gz	OJAVBLFPLVUFMB-NVNXEXLPSA-N	-2	1	330.205	-0.863	20	5		EBBDML
O=C([O-])C[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(=O)[O-]	ZINC001229394844	812029792	/nfs/dbraw/zinc/02/97/92/812029792.db2.gz	CGTWSHBZTYGILH-LDWIPMOCSA-N	-3	1	329.217	-0.258	20	5		EBBDML
Cc1cc(O)c([N+](=O)[O-])c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001231263573	812284929	/nfs/dbraw/zinc/28/49/29/812284929.db2.gz	LKNOIPJULBQPJN-ANLVUFKYSA-N	-2	1	344.232	-0.554	20	5		EBBDML
O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])nn1	ZINC000391163462	375867532	/nfs/dbraw/zinc/86/75/32/375867532.db2.gz	DJGMQACSONZWBB-UHFFFAOYSA-N	-2	1	341.305	-0.251	20	5		EBBDML
NC(=O)Cn1ccc([N-]c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1	ZINC000822874004	583820167	/nfs/dbraw/zinc/82/01/67/583820167.db2.gz	PHUXIBQMUQMTJE-UHFFFAOYSA-N	-2	1	330.268	-0.405	20	5		EBBDML