smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Sc2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[nH]3)cc2)cc1	ZINC000009235096	204302769	/nfs/dbraw/zinc/30/27/69/204302769.db2.gz	OBRSQNAMHOHREO-IZZDOVSWSA-N	-1	1	381.413	4.014	50	5		GIBAMM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000001153416	570757414	/nfs/dbraw/zinc/75/74/14/570757414.db2.gz	WEMPXQQPOIAHLL-UHFFFAOYSA-N	-1	1	388.836	4.137	50	5		GIBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc3c(c2c1)CCCC3	ZINC000004149969	204029476	/nfs/dbraw/zinc/02/94/76/204029476.db2.gz	YZSCDYBBLJGWLE-UHFFFAOYSA-N	-1	1	386.429	4.329	50	5		GIBAMM
O=C(Nc1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1[O-]	ZINC000004628640	204059879	/nfs/dbraw/zinc/05/98/79/204059879.db2.gz	PBPJXXXGJQXUPQ-UHFFFAOYSA-N	-1	1	377.400	4.207	50	5		GIBAMM
O=C([N-]c1nnc(SCc2ccccc2)s1)c1csc([N+](=O)[O-])c1	ZINC000040140436	205057409	/nfs/dbraw/zinc/05/74/09/205057409.db2.gz	CQWKDWIQRGCHNI-UHFFFAOYSA-N	-1	1	378.460	4.052	50	5		GIBAMM
COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000072238849	205319164	/nfs/dbraw/zinc/31/91/64/205319164.db2.gz	ZTLKMZQDSNBSRH-WQLSENKSSA-N	-1	1	392.367	4.042	50	5		GIBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl	ZINC000003885939	204021564	/nfs/dbraw/zinc/02/15/64/204021564.db2.gz	JHMHFLVLCBYZLM-UHFFFAOYSA-N	-1	1	394.808	4.364	50	5		GIBAMM
O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1	ZINC000040128849	205056134	/nfs/dbraw/zinc/05/61/34/205056134.db2.gz	QNKBXUBTNLHKRD-UHFFFAOYSA-N	-1	1	382.401	4.368	50	5		GIBAMM
COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000006053381	570229673	/nfs/dbraw/zinc/22/96/73/570229673.db2.gz	ZTLKMZQDSNBSRH-XYOKQWHBSA-N	-1	1	392.367	4.042	50	5		GIBAMM
CCc1cc2c(cc1[O-])oc(=O)c1nnc3c(sc4nc(C)cc(C)c43)c21	ZINC000032502182	820961442	/nfs/dbraw/zinc/96/14/42/820961442.db2.gz	VWXKAIHYQUDYFB-UHFFFAOYSA-N	-1	1	377.425	4.384	50	5		GIBAMM
CCCc1cc(=O)[n-]c(SCc2cc(=O)oc3ccc4ccccc4c23)n1	ZINC000016045483	570912699	/nfs/dbraw/zinc/91/26/99/570912699.db2.gz	BEWBDICDNHKWPV-UHFFFAOYSA-N	-1	1	378.453	4.274	50	5		GIBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F	ZINC000003329016	817437408	/nfs/dbraw/zinc/43/74/08/817437408.db2.gz	UDMPAWAMGUCMKE-UHFFFAOYSA-N	-1	1	398.721	4.207	50	5		GIBAMM
O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1ccccc1[O-]	ZINC000004828796	570295590	/nfs/dbraw/zinc/29/55/90/570295590.db2.gz	GIFOXMIJOPYFEV-YPKPFQOOSA-N	-1	1	385.379	4.170	50	5		GIBAMM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1	ZINC000030530459	206074697	/nfs/dbraw/zinc/07/46/97/206074697.db2.gz	DKULVDZVLRLHPE-UHFFFAOYSA-N	-1	1	376.434	4.025	50	5		GIBAMM
COc1ccc(-c2nnc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	ZINC000004329965	205746110	/nfs/dbraw/zinc/74/61/10/205746110.db2.gz	FALNVWKQPONEGE-UHFFFAOYSA-N	-1	1	396.384	4.120	50	5		GIBAMM
CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C1\CO[C@H](c2oc(=O)c(C)c([O-])c2C)C1	ZINC000100088792	570263486	/nfs/dbraw/zinc/26/34/86/570263486.db2.gz	PTRFPVQLWKAVMI-UVOZBEEISA-N	-1	1	383.400	4.362	50	5		GIBAMM
O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1[O-]	ZINC000005068084	570409310	/nfs/dbraw/zinc/40/93/10/570409310.db2.gz	GIFOXMIJOPYFEV-BUHFOSPRSA-N	-1	1	385.379	4.170	50	5		GIBAMM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(-c3ccccc3)cc2)c2nonc21	ZINC000004016547	817497257	/nfs/dbraw/zinc/49/72/57/817497257.db2.gz	JSBYOAPFZJJBCG-UHFFFAOYSA-N	-1	1	377.316	4.450	50	5		GIBAMM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cccc([N+](=O)[O-])c1	ZINC000001210760	206368309	/nfs/dbraw/zinc/36/83/09/206368309.db2.gz	FIVCFHISWMIJCN-UHFFFAOYSA-N	-1	1	375.340	4.361	50	5		GIBAMM
CCOC(=O)c1c(-c2ccccc2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000003196839	817421361	/nfs/dbraw/zinc/42/13/61/817421361.db2.gz	OZVBJEWUCQTIHD-UHFFFAOYSA-N	-1	1	386.385	4.345	50	5		GIBAMM
COc1cccc(-c2nnc([N-]C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1	ZINC000004276048	817516182	/nfs/dbraw/zinc/51/61/82/817516182.db2.gz	YAFGEKUUAWMIES-UHFFFAOYSA-N	-1	1	396.384	4.120	50	5		GIBAMM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000001208179	206367965	/nfs/dbraw/zinc/36/79/65/206367965.db2.gz	CXALBRBYRYJQTG-UHFFFAOYSA-N	-1	1	375.340	4.361	50	5		GIBAMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl	ZINC000005584304	570661654	/nfs/dbraw/zinc/66/16/54/570661654.db2.gz	IBELHTXFBNPHNU-UHFFFAOYSA-N	-1	1	381.624	4.356	50	5		GIBAMM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000001154263	817374847	/nfs/dbraw/zinc/37/48/47/817374847.db2.gz	XOIVJPJNJBUROT-UHFFFAOYSA-N	-1	1	388.836	4.137	50	5		GIBAMM
O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1ccccc1[N+](=O)[O-]	ZINC000003091835	817417582	/nfs/dbraw/zinc/41/75/82/817417582.db2.gz	ZORPLPXMWYQOGA-NTEUORMPSA-N	-1	1	386.410	4.143	50	5		GIBAMM
O=c1cc(-c2ccc(Cl)cc2Cl)nc(-c2cccc([N+](=O)[O-])c2[O-])o1	ZINC000015856577	221348781	/nfs/dbraw/zinc/34/87/81/221348781.db2.gz	DEXDBQWBMPVMQK-UHFFFAOYSA-N	-1	1	379.155	4.289	50	5		GIBAMM
O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000005568332	570646432	/nfs/dbraw/zinc/64/64/32/570646432.db2.gz	RRJPKLVJOUZWPB-UHFFFAOYSA-N	-1	1	381.624	4.356	50	5		GIBAMM
COC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000004176295	817508814	/nfs/dbraw/zinc/50/88/14/817508814.db2.gz	WNGQERUTZFRMDT-UHFFFAOYSA-N	-1	1	388.426	4.424	50	5		GIBAMM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1	ZINC000005101522	817551566	/nfs/dbraw/zinc/55/15/66/817551566.db2.gz	BSQHIOWKCXZJEM-UHFFFAOYSA-N	-1	1	381.624	4.356	50	5		GIBAMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000005234724	570523595	/nfs/dbraw/zinc/52/35/95/570523595.db2.gz	IJDISIAMYSTUPT-UHFFFAOYSA-N	-1	1	384.413	4.496	50	5		GIBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000005060543	570408763	/nfs/dbraw/zinc/40/87/63/570408763.db2.gz	JRROQAVNKANMQT-UHFFFAOYSA-N	-1	1	384.413	4.496	50	5		GIBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000005681380	570807627	/nfs/dbraw/zinc/80/76/27/570807627.db2.gz	CURDGEHOTXXIJI-UHFFFAOYSA-N	-1	1	398.440	4.283	50	5		GIBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCc1ccccc1	ZINC000004158840	817507374	/nfs/dbraw/zinc/50/73/74/817507374.db2.gz	RBGBHKBLHATRQE-UHFFFAOYSA-N	-1	1	383.429	4.008	50	5		GIBAMM
CCCCOc1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3[O-])n2)cc1	ZINC000015856501	221348851	/nfs/dbraw/zinc/34/88/51/221348851.db2.gz	BKQQJVVZNKHGIS-UHFFFAOYSA-N	-1	1	382.372	4.162	50	5		GIBAMM
O=C(c1ccc([O-])cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000095437061	136179065	/nfs/dbraw/zinc/17/90/65/136179065.db2.gz	KVEPGLCGKHTXPM-UHFFFAOYSA-N	-1	1	394.349	4.419	50	5		GIBAMM
O=C1S/C(=C/c2ccc([O-])c(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000006926328	570707775	/nfs/dbraw/zinc/70/77/75/570707775.db2.gz	OOYWHZLXHPSODW-OVCLIPMQSA-N	-1	1	390.804	4.190	50	5		GIBAMM
COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCCC(C)C	ZINC000004501960	570817254	/nfs/dbraw/zinc/81/72/54/570817254.db2.gz	ZUFBRQFSGQVRBJ-VGOFMYFVSA-N	-1	1	382.463	4.357	50	5		GIBAMM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000002849312	817403344	/nfs/dbraw/zinc/40/33/44/817403344.db2.gz	JUJVOPYEGIMYBE-UHFFFAOYSA-N	-1	1	388.836	4.137	50	5		GIBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1	ZINC000014399006	207020480	/nfs/dbraw/zinc/02/04/80/207020480.db2.gz	VWJGBNGBIWEWQS-UHFFFAOYSA-N	-1	1	394.758	4.376	50	5		GIBAMM
[O-][n+]1c2ccccc2[n+]([O-])c2cc3[n-]c(-c4c(Cl)cccc4Cl)nc3cc21	ZINC000005739566	570454703	/nfs/dbraw/zinc/45/47/03/570454703.db2.gz	UIUOLIDOCBJWFF-UHFFFAOYSA-N	-1	1	397.221	4.110	50	5		GIBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000003885198	570817457	/nfs/dbraw/zinc/81/74/57/570817457.db2.gz	HDHGDGQBEIRDGU-UHFFFAOYSA-N	-1	1	380.731	4.068	50	5		GIBAMM
Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3[O-])nc2c1	ZINC000000830448	209270177	/nfs/dbraw/zinc/27/01/77/209270177.db2.gz	KCXNZOFBUMJGLZ-UHFFFAOYSA-N	-1	1	379.328	4.262	50	5		GIBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000003375083	817444598	/nfs/dbraw/zinc/44/45/98/817444598.db2.gz	MFAMPPKXFOAIMN-UHFFFAOYSA-N	-1	1	380.731	4.068	50	5		GIBAMM
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cc1	ZINC000000912901	209279993	/nfs/dbraw/zinc/27/99/93/209279993.db2.gz	GGQUTLXDKGRPMX-UHFFFAOYSA-N	-1	1	388.376	4.327	50	5		GIBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000004680863	570829105	/nfs/dbraw/zinc/82/91/05/570829105.db2.gz	SKPXNLQZGLRASK-UHFFFAOYSA-N	-1	1	394.758	4.376	50	5		GIBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-]	ZINC000004149971	817506892	/nfs/dbraw/zinc/50/68/92/817506892.db2.gz	WKUGCUMNEYRUDV-UHFFFAOYSA-N	-1	1	386.429	4.329	50	5		GIBAMM
O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1cccc([N+](=O)[O-])c1	ZINC000013942786	210096509	/nfs/dbraw/zinc/09/65/09/210096509.db2.gz	XCFMWXLBLMCKJP-ZSOIEALJSA-N	-1	1	386.410	4.143	50	5		GIBAMM
CC(C)(C)c1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1[N+](=O)[O-]	ZINC000021628989	210386350	/nfs/dbraw/zinc/38/63/50/210386350.db2.gz	WSCVKHJWCUJRDO-UHFFFAOYSA-N	-1	1	397.383	4.061	50	5		GIBAMM
O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000004838578	570306577	/nfs/dbraw/zinc/30/65/77/570306577.db2.gz	AIHRTICCMHTAPK-UHFFFAOYSA-N	-1	1	375.340	4.361	50	5		GIBAMM
O=C([N-]c1nnc(-c2ccc(F)cc2)s1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000005193026	570499210	/nfs/dbraw/zinc/49/92/10/570499210.db2.gz	WGEYSHQKPJSLIM-UHFFFAOYSA-N	-1	1	378.772	4.158	50	5		GIBAMM
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2C1=Cc2ccccc2OC1	ZINC000409415362	231203272	/nfs/dbraw/zinc/20/32/72/231203272.db2.gz	CPIFPTJVFUDYDJ-UHFFFAOYSA-N	-1	1	385.379	4.212	50	5		GIBAMM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1	ZINC000013011921	570417630	/nfs/dbraw/zinc/41/76/30/570417630.db2.gz	GZNQKOWKGDRVFS-UHFFFAOYSA-N	-1	1	381.624	4.356	50	5		GIBAMM
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccc1[O-]	ZINC000004593704	570624768	/nfs/dbraw/zinc/62/47/68/570624768.db2.gz	OXVZSTHXIJYTMQ-UHFFFAOYSA-N	-1	1	393.355	4.056	50	5		GIBAMM
CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C1\CO[C@@H](c2oc(=O)c(C)c([O-])c2C)C1	ZINC000101154410	570815003	/nfs/dbraw/zinc/81/50/03/570815003.db2.gz	PTRFPVQLWKAVMI-HXSZICQCSA-N	-1	1	383.400	4.362	50	5		GIBAMM
O=C1[N-]C(=S)SC1=Cc1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	ZINC000003120849	817418167	/nfs/dbraw/zinc/41/81/67/817418167.db2.gz	ISMQVFNYDZQZAL-XYOKQWHBSA-N	-1	1	375.456	4.470	50	5		GIBAMM
O=C([N-]c1nnc(Cc2cccs2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000013653448	221279789	/nfs/dbraw/zinc/27/97/89/221279789.db2.gz	CSIVDYBRRGTCAZ-UHFFFAOYSA-N	-1	1	386.414	4.097	50	5		GIBAMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1	ZINC000016147699	221359041	/nfs/dbraw/zinc/35/90/41/221359041.db2.gz	MFACXKHRQXPDDC-UHFFFAOYSA-N	-1	1	382.441	4.295	50	5		GIBAMM
O=C([N-]c1nnc(-c2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004070414	817500738	/nfs/dbraw/zinc/50/07/38/817500738.db2.gz	WPLRNIGKJRNPGP-UHFFFAOYSA-N	-1	1	378.772	4.158	50	5		GIBAMM
O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc([N+](=O)[O-])o1	ZINC000005173425	817557431	/nfs/dbraw/zinc/55/74/31/817557431.db2.gz	YAZAWERVUFCLOP-UHFFFAOYSA-N	-1	1	381.369	4.422	50	5		GIBAMM
CC(C)(C)c1cc(O)c2oc(=O)c(-c3nc4cc([N+](=O)[O-])ccc4[n-]3)cc2c1	ZINC000020615308	818627246	/nfs/dbraw/zinc/62/72/46/818627246.db2.gz	XQUJBLNDDDNQDG-UHFFFAOYSA-N	-1	1	379.372	4.248	50	5		GIBAMM
Cc1ccc(CSc2nnc([N-]C(=O)c3csc([N+](=O)[O-])c3)s2)cc1	ZINC000040140546	821147516	/nfs/dbraw/zinc/14/75/16/821147516.db2.gz	WEVIXYGATPYWMR-UHFFFAOYSA-N	-1	1	392.487	4.361	50	5		GIBAMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl	ZINC000001230774	212230856	/nfs/dbraw/zinc/23/08/56/212230856.db2.gz	WDSHYSMIXNILPG-UHFFFAOYSA-N	-1	1	380.731	4.068	50	5		GIBAMM
O=C(Oc1ccc(C=C2SC(=S)[N-]C2=O)cc1)c1cccc([N+](=O)[O-])c1	ZINC000002903109	817404940	/nfs/dbraw/zinc/40/49/40/817404940.db2.gz	XCFMWXLBLMCKJP-RIYZIHGNSA-N	-1	1	386.410	4.143	50	5		GIBAMM
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1[N+](=O)[O-]	ZINC000021112420	818654767	/nfs/dbraw/zinc/65/47/67/818654767.db2.gz	KMFBVMCPPNYXNX-DHZHZOJOSA-N	-1	1	399.428	4.171	50	5		GIBAMM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1	ZINC000006581278	570483200	/nfs/dbraw/zinc/48/32/00/570483200.db2.gz	ZVNSKCIZWYNNEM-UHFFFAOYSA-N	-1	1	399.428	4.148	50	5		GIBAMM
O=c1oc2ccc(Br)cc2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000004599210	570631539	/nfs/dbraw/zinc/63/15/39/570631539.db2.gz	QVKNDQSAGJGMTD-UHFFFAOYSA-N	-1	1	386.161	4.007	50	5		GIBAMM
O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000004275966	817516216	/nfs/dbraw/zinc/51/62/16/817516216.db2.gz	ASYWWDZXXYPXJT-UHFFFAOYSA-N	-1	1	384.348	4.251	50	5		GIBAMM
CSc1nc2ccc3nc([N-]C(=O)c4ccc([N+](=O)[O-])o4)sc3c2s1	ZINC000009404743	212195719	/nfs/dbraw/zinc/19/57/19/212195719.db2.gz	QIWAGCLXVGAZPO-UHFFFAOYSA-N	-1	1	392.443	4.381	50	5		GIBAMM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1	ZINC000004036428	817498980	/nfs/dbraw/zinc/49/89/80/817498980.db2.gz	FYBOFXYYSFLXQS-UHFFFAOYSA-N	-1	1	389.458	4.136	50	5		GIBAMM
COc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000089453722	222327055	/nfs/dbraw/zinc/32/70/55/222327055.db2.gz	GBTRDMGTNKLXMT-UHFFFAOYSA-N	-1	1	399.428	4.148	50	5		GIBAMM
COc1ccccc1-c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	ZINC000004276013	817516118	/nfs/dbraw/zinc/51/61/18/817516118.db2.gz	XPMJCVATNSHYJN-UHFFFAOYSA-N	-1	1	396.384	4.120	50	5		GIBAMM
CSc1ccccc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000004585579	570918746	/nfs/dbraw/zinc/91/87/46/570918746.db2.gz	JKUNIYDHZIPIKU-UHFFFAOYSA-N	-1	1	390.808	4.272	50	5		GIBAMM
CSc1cccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1	ZINC000004585605	570918994	/nfs/dbraw/zinc/91/89/94/570918994.db2.gz	TVDOFGSUUXVCGG-UHFFFAOYSA-N	-1	1	390.808	4.272	50	5		GIBAMM