smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc([C@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1	ZINC000071785124	205297100	/nfs/dbraw/zinc/29/71/00/205297100.db2.gz	QLCPSGYXNRQUSI-OAQYLSRUSA-N	-1	3	391.431	4.181	50	5		GIBAHM
Cc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)c(=O)[nH]c2c1	ZINC000218213190	205945245	/nfs/dbraw/zinc/94/52/45/205945245.db2.gz	UDUVFUHCKAZEPG-UHFFFAOYSA-N	-1	3	382.379	4.380	50	5		GIBAHM
COc1ccc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)c(OC)c1OC	ZINC000096115979	570486195	/nfs/dbraw/zinc/48/61/95/570486195.db2.gz	FOGIYWKHALKGLP-UHFFFAOYSA-N	-1	3	391.383	4.256	50	5		GIBAHM
O=C([N-]c1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003218438	817423531	/nfs/dbraw/zinc/42/35/31/817423531.db2.gz	BTNBFMCZWKEKAU-UHFFFAOYSA-N	-1	3	378.753	4.018	50	5		GIBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc2c(s1)c1ccccc1oc2=O	ZINC000004875705	204085572	/nfs/dbraw/zinc/08/55/72/204085572.db2.gz	HFQSUOJLSRJVAZ-UHFFFAOYSA-N	-1	3	396.380	4.177	50	5		GIBAHM
Cc1cccc(C(=O)[N-]c2nnc(C[C@H](C)c3ccccc3)s2)c1[N+](=O)[O-]	ZINC000009196898	204301897	/nfs/dbraw/zinc/30/18/97/204301897.db2.gz	SVBYPQCUPNXUMS-ZDUSSCGKSA-N	-1	3	382.445	4.353	50	5		GIBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1	ZINC000001230639	570898532	/nfs/dbraw/zinc/89/85/32/570898532.db2.gz	MQBCEGHVULAGHW-UHFFFAOYSA-N	-1	3	381.624	4.356	50	5		GIBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(COc2ccc(C)cc2)n1	ZINC000012774348	571027838	/nfs/dbraw/zinc/02/78/38/571027838.db2.gz	CIUNDKIAWGUFHC-UHFFFAOYSA-N	-1	3	399.428	4.200	50	5		GIBAHM
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000009577413	204316578	/nfs/dbraw/zinc/31/65/78/204316578.db2.gz	RIAFRIDDKZMVRC-UHFFFAOYSA-N	-1	3	379.328	4.262	50	5		GIBAHM
COCCNc1nc2c3sc4nc(C(F)F)cc(C)c4c3[n-]c(=O)c2s1	ZINC000036612848	205017155	/nfs/dbraw/zinc/01/71/55/205017155.db2.gz	TYPWFOKDMKWJLV-UHFFFAOYSA-N	-1	3	396.444	4.052	50	5		GIBAHM
COc1ccc2oc(-c3csc([N-]C(=O)c4ccc([N+](=O)[O-])o4)n3)cc2c1	ZINC000010882638	570346097	/nfs/dbraw/zinc/34/60/97/570346097.db2.gz	HMIXJFHIXHFVHG-UHFFFAOYSA-N	-1	3	385.357	4.318	50	5		GIBAHM
Cc1ccc([N-]C(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	ZINC000005063316	570408976	/nfs/dbraw/zinc/40/89/76/570408976.db2.gz	VPZNOORASAFODW-UHFFFAOYSA-N	-1	3	387.505	4.323	50	5		GIBAHM
O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)cc1	ZINC000030835961	820688772	/nfs/dbraw/zinc/68/87/72/820688772.db2.gz	XTLZGAYZVWOHKQ-UHFFFAOYSA-N	-1	3	382.397	4.436	50	5		GIBAHM
O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1cccc([O-])c1	ZINC000033761257	206099516	/nfs/dbraw/zinc/09/95/16/206099516.db2.gz	LARKDLKRSVJSAQ-QXMHVHEDSA-N	-1	3	385.379	4.170	50	5		GIBAHM
Cn1c(=O)c(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc2ccccc21	ZINC000218375378	570332920	/nfs/dbraw/zinc/33/29/20/570332920.db2.gz	AEOQOGKTCYJFGI-UHFFFAOYSA-N	-1	3	382.379	4.082	50	5		GIBAHM
O=C([N-]c1nnc(-c2ccc(F)cc2Cl)s1)c1cccc([N+](=O)[O-])c1	ZINC000001132013	570756273	/nfs/dbraw/zinc/75/62/73/570756273.db2.gz	GQIMHHHDRUMKIU-UHFFFAOYSA-N	-1	3	378.772	4.158	50	5		GIBAHM
O=C(Nc1ccccc1)c1ccccc1[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003880429	204021097	/nfs/dbraw/zinc/02/10/97/204021097.db2.gz	YTJQFCVWZORCCB-UHFFFAOYSA-N	-1	3	378.344	4.499	50	5		GIBAHM
COc1ccc(CCN/C(C)=C\c2oc3ccc([O-])cc3c2[N+](=O)[O-])cc1OC	ZINC000005624567	570673959	/nfs/dbraw/zinc/67/39/59/570673959.db2.gz	XDPNLBPFZPQMPY-RAXLEYEMSA-N	-1	3	398.415	4.257	50	5		GIBAHM
CCSc1nnc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1	ZINC000006232348	204171909	/nfs/dbraw/zinc/17/19/09/204171909.db2.gz	HIUJJLBCRMYRQC-UHFFFAOYSA-N	-1	3	376.419	4.071	50	5		GIBAHM
C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000008744856	204287311	/nfs/dbraw/zinc/28/73/11/204287311.db2.gz	DECAIURUMVPOCG-GFCCVEGCSA-N	-1	3	393.428	4.283	50	5		GIBAHM
O=C([N-]c1cc2c(cc1Sc1ccccc1)OCCO2)c1ccc([N+](=O)[O-])o1	ZINC000058343180	205173599	/nfs/dbraw/zinc/17/35/99/205173599.db2.gz	HYSJULJYYZMLRL-UHFFFAOYSA-N	-1	3	398.396	4.363	50	5		GIBAHM
Cc1nn(C)c(C)c1[C@@H]1CC(c2cccc([O-])c2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000071785132	205297781	/nfs/dbraw/zinc/29/77/81/205297781.db2.gz	GRVKQXZVPPKUES-FQEVSTJZSA-N	-1	3	391.431	4.006	50	5		GIBAHM
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1cccc(O)c1	ZINC000079188300	205053955	/nfs/dbraw/zinc/05/39/55/205053955.db2.gz	VOGQEIROQORDAI-UHFFFAOYSA-N	-1	3	375.384	4.283	50	5		GIBAHM
COc1cc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc(OC)c1OC	ZINC000096221008	570486513	/nfs/dbraw/zinc/48/65/13/570486513.db2.gz	YCTFRYLZIGXNKO-UHFFFAOYSA-N	-1	3	391.383	4.256	50	5		GIBAHM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)S1	ZINC000013661041	570665769	/nfs/dbraw/zinc/66/57/69/570665769.db2.gz	PCHQIIAIKWEHRG-NVNXTCNLSA-N	-1	3	390.804	4.151	50	5		GIBAHM
Cc1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-]	ZINC000001149772	570755576	/nfs/dbraw/zinc/75/55/76/570755576.db2.gz	KQVBANFEISFEJB-UHFFFAOYSA-N	-1	3	388.836	4.251	50	5		GIBAHM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000001154654	570757447	/nfs/dbraw/zinc/75/74/47/570757447.db2.gz	AVCGCINTHRCDDE-UHFFFAOYSA-N	-1	3	388.836	4.137	50	5		GIBAHM
O=C([N-]c1nc(-c2cccc(Br)c2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000003276219	570847809	/nfs/dbraw/zinc/84/78/09/570847809.db2.gz	XLFPCKACESTSRI-UHFFFAOYSA-N	-1	3	394.206	4.326	50	5		GIBAHM
CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1	ZINC000005937782	204158143	/nfs/dbraw/zinc/15/81/43/204158143.db2.gz	NNCDIWLJWQUMMJ-UHFFFAOYSA-N	-1	3	386.458	4.412	50	5		GIBAHM
Cc1cccc(C(=O)[N-]c2nnc(CCCOc3ccccc3)s2)c1[N+](=O)[O-]	ZINC000009426493	204311104	/nfs/dbraw/zinc/31/11/04/204311104.db2.gz	SWVBVUNJARSEKS-UHFFFAOYSA-N	-1	3	398.444	4.019	50	5		GIBAHM
COc1cccc2cc(-c3csc([N-]C(=O)c4ccc([N+](=O)[O-])o4)n3)oc21	ZINC000010747788	570290312	/nfs/dbraw/zinc/29/03/12/570290312.db2.gz	SPPKPKFVLQALOT-UHFFFAOYSA-N	-1	3	385.357	4.318	50	5		GIBAHM
COc1cc(OC)c(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc1OC	ZINC000096115596	570486180	/nfs/dbraw/zinc/48/61/80/570486180.db2.gz	BDTBNVIEIPTLJW-UHFFFAOYSA-N	-1	3	391.383	4.256	50	5		GIBAHM
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1	ZINC000001196561	817375201	/nfs/dbraw/zinc/37/52/01/817375201.db2.gz	FHVOBSMTCMGEQL-UHFFFAOYSA-N	-1	3	388.376	4.327	50	5		GIBAHM
COc1ccc(-c2nc3ccccc3o2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000000830436	206325372	/nfs/dbraw/zinc/32/53/72/206325372.db2.gz	LAWQYLVZQITYOM-UHFFFAOYSA-N	-1	3	379.328	4.257	50	5		GIBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	ZINC000006327583	570389841	/nfs/dbraw/zinc/38/98/41/570389841.db2.gz	LDAYNROMIVJMBB-UHFFFAOYSA-N	-1	3	394.474	4.416	50	5		GIBAHM
Cc1ccc(NC(=O)COc2cc(=O)c3c([O-])c4ccccc4oc-3c2)c(C)c1	ZINC000005353914	570559665	/nfs/dbraw/zinc/55/96/65/570559665.db2.gz	DRVXKEMPWXVPKD-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
Cc1ccc(NC(=O)COc2cc([O-])c3c(c2)oc2ccccc2c3=O)c(C)c1	ZINC000005353914	570559670	/nfs/dbraw/zinc/55/96/70/570559670.db2.gz	DRVXKEMPWXVPKD-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
CCc1nnc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1	ZINC000002848378	817403472	/nfs/dbraw/zinc/40/34/72/817403472.db2.gz	GEKXTCLBWQODHC-UHFFFAOYSA-N	-1	3	378.797	4.174	50	5		GIBAHM
CC1(C)Cc2nc([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C(=O)C1	ZINC000001135621	206357502	/nfs/dbraw/zinc/35/75/02/206357502.db2.gz	NILHYIAWMJHQRL-UHFFFAOYSA-N	-1	3	379.825	4.112	50	5		GIBAHM
CCOc1ccc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c([N+](=O)[O-])c1	ZINC000004337779	570674782	/nfs/dbraw/zinc/67/47/82/570674782.db2.gz	WFPXQLBHOULJKB-UHFFFAOYSA-N	-1	3	387.373	4.369	50	5		GIBAHM
O=C([N-]c1cc(Cl)ccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006224681	570344208	/nfs/dbraw/zinc/34/42/08/570344208.db2.gz	XVZSBOVZFOIIIB-UHFFFAOYSA-N	-1	3	389.673	4.428	50	5		GIBAHM
COc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)cc2c1	ZINC000217739254	570371612	/nfs/dbraw/zinc/37/16/12/570371612.db2.gz	CFVBWQNIGKFDSU-UHFFFAOYSA-N	-1	3	398.378	4.080	50	5		GIBAHM
O=C([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000006942369	570715381	/nfs/dbraw/zinc/71/53/81/570715381.db2.gz	HGBUDFVZERDUJX-UHFFFAOYSA-N	-1	3	379.159	4.204	50	5		GIBAHM
CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000001200135	570793638	/nfs/dbraw/zinc/79/36/38/570793638.db2.gz	UNIBMDUMJDBBKL-UHFFFAOYSA-N	-1	3	382.825	4.356	50	5		GIBAHM
O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1[N+](=O)[O-]	ZINC000007318876	570829286	/nfs/dbraw/zinc/82/92/86/570829286.db2.gz	ARZJPKULXYSBBM-UHFFFAOYSA-N	-1	3	384.461	4.166	50	5		GIBAHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000030835735	206257229	/nfs/dbraw/zinc/25/72/29/206257229.db2.gz	OPLGDULZRSCXET-OAHLLOKOSA-N	-1	3	382.441	4.301	50	5		GIBAHM
O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])o1	ZINC000000830447	206325418	/nfs/dbraw/zinc/32/54/18/206325418.db2.gz	MJOMKNCQFXYHFE-UHFFFAOYSA-N	-1	3	381.369	4.422	50	5		GIBAHM
CC(=O)Nc1ccc2nc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1	ZINC000002475296	206419554	/nfs/dbraw/zinc/41/95/54/206419554.db2.gz	CWRDFESVNQIDIX-UHFFFAOYSA-N	-1	3	390.808	4.069	50	5		GIBAHM
O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-]	ZINC000002835752	817402636	/nfs/dbraw/zinc/40/26/36/817402636.db2.gz	CVPOKWPARGNDDD-UHFFFAOYSA-N	-1	3	390.421	4.130	50	5		GIBAHM
COC(=O)c1ccc(COc2cc(=O)c3c([O-])c4cccc(C)c4oc-3c2)cc1	ZINC000004085388	817501852	/nfs/dbraw/zinc/50/18/52/817501852.db2.gz	VLSGSACLFIAQMU-UHFFFAOYSA-N	-1	3	390.391	4.326	50	5		GIBAHM
COC(=O)c1ccc(COc2cc([O-])c3c(c2)oc2c(C)cccc2c3=O)cc1	ZINC000004085388	817501859	/nfs/dbraw/zinc/50/18/59/817501859.db2.gz	VLSGSACLFIAQMU-UHFFFAOYSA-N	-1	3	390.391	4.326	50	5		GIBAHM
Cn1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1cc2ccccc2n(C)c1=O	ZINC000253415056	206282653	/nfs/dbraw/zinc/28/26/53/206282653.db2.gz	ZLYQXMJBHGYILV-UHFFFAOYSA-N	-1	3	396.406	4.092	50	5		GIBAHM
CCOC(=O)c1oc2ccccc2c1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009414385	206333308	/nfs/dbraw/zinc/33/33/08/206333308.db2.gz	GFAXYIVNLVJZPM-UHFFFAOYSA-N	-1	3	388.763	4.423	50	5		GIBAHM
Cc1cccc([N-]S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000001230301	206369234	/nfs/dbraw/zinc/36/92/34/206369234.db2.gz	ZZZQMLKXYSPMMZ-UHFFFAOYSA-N	-1	3	384.413	4.496	50	5		GIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000006653322	206660735	/nfs/dbraw/zinc/66/07/35/206660735.db2.gz	ISASHGXXWJQJSH-UHFFFAOYSA-N	-1	3	389.477	4.367	50	5		GIBAHM
Cc1cccc(C(=O)[N-]c2nnc(CCCc3ccccc3)s2)c1[N+](=O)[O-]	ZINC000013856314	207002625	/nfs/dbraw/zinc/00/26/25/207002625.db2.gz	WPVCTOLMLYWHIJ-UHFFFAOYSA-N	-1	3	382.445	4.182	50	5		GIBAHM
O=[N+]([O-])c1c2nonc2c(Nc2ccc(O)cc2)cc1Nc1cccc([O-])c1	ZINC000004817114	570235507	/nfs/dbraw/zinc/23/55/07/570235507.db2.gz	OLPNMJZCBFRENF-UHFFFAOYSA-N	-1	3	379.332	4.029	50	5		GIBAHM
COc1ccc(-c2ccc(C(=O)[N-]c3ccc(C)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000005034528	570403304	/nfs/dbraw/zinc/40/33/04/570403304.db2.gz	HFDBUPXMVYZEHJ-UHFFFAOYSA-N	-1	3	397.343	4.332	50	5		GIBAHM
Nc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000007357406	570833411	/nfs/dbraw/zinc/83/34/11/570833411.db2.gz	RUNSEBKRVQNAQF-UHFFFAOYSA-N	-1	3	375.450	4.026	50	5		GIBAHM
S=c1[n-]c2c(c3nc4ccccc4nc3n2CCc2ccccc2)c(=S)[nH]1	ZINC000006190236	206643707	/nfs/dbraw/zinc/64/37/07/206643707.db2.gz	IPEVLICWPDHOFO-UHFFFAOYSA-N	-1	3	389.509	4.348	50	5		GIBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1Cl	ZINC000005101312	570731348	/nfs/dbraw/zinc/73/13/48/570731348.db2.gz	CGXLCOSXHFQXNA-UHFFFAOYSA-N	-1	3	381.624	4.356	50	5		GIBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2	ZINC000003187587	817420327	/nfs/dbraw/zinc/42/03/27/817420327.db2.gz	YRWFJJDKSQJXGH-UHFFFAOYSA-N	-1	3	380.447	4.026	50	5		GIBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1	ZINC000004091684	817503426	/nfs/dbraw/zinc/50/34/26/817503426.db2.gz	RWZXUTZRUVTINA-UHFFFAOYSA-N	-1	3	391.452	4.240	50	5		GIBAHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(C)c(C)c3)c(C)s2)n1	ZINC000000654247	206313657	/nfs/dbraw/zinc/31/36/57/206313657.db2.gz	IFVIGNROMGMRCE-UHFFFAOYSA-N	-1	3	385.449	4.112	50	5		GIBAHM
O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000018116924	207094012	/nfs/dbraw/zinc/09/40/12/207094012.db2.gz	IRLJKCRAKCEEFC-UHFFFAOYSA-N	-1	3	384.351	4.307	50	5		GIBAHM
O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)n[n-]1	ZINC000018116924	207094015	/nfs/dbraw/zinc/09/40/15/207094015.db2.gz	IRLJKCRAKCEEFC-UHFFFAOYSA-N	-1	3	384.351	4.307	50	5		GIBAHM
O=c1oc2ccc3ccccc3c2cc1-c1n[n-]c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000018116924	207094017	/nfs/dbraw/zinc/09/40/17/207094017.db2.gz	IRLJKCRAKCEEFC-UHFFFAOYSA-N	-1	3	384.351	4.307	50	5		GIBAHM
O=C1[N-][C@@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000008741136	209796899	/nfs/dbraw/zinc/79/68/99/209796899.db2.gz	QDVLEZKBWCTXOP-AWEZNQCLSA-N	-1	3	384.442	4.031	50	5		GIBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000002638673	209374695	/nfs/dbraw/zinc/37/46/95/209374695.db2.gz	JNWIYCNYLTWLBH-UHFFFAOYSA-N	-1	3	380.731	4.068	50	5		GIBAHM
O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000002124428	209346895	/nfs/dbraw/zinc/34/68/95/209346895.db2.gz	UXCRAPMXCPIKLH-UHFFFAOYSA-N	-1	3	390.421	4.130	50	5		GIBAHM
COC(=O)c1c([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000000995069	209287723	/nfs/dbraw/zinc/28/77/23/209287723.db2.gz	PVMZVBRFRCTNLS-UHFFFAOYSA-N	-1	3	394.836	4.227	50	5		GIBAHM
CCOC(=O)c1cc([N+](=O)[O-])sc1[N-]C(=O)c1cc(Cl)sc1Cl	ZINC000004134689	211532519	/nfs/dbraw/zinc/53/25/19/211532519.db2.gz	SXHFZSYEKQLMNU-UHFFFAOYSA-N	-1	3	395.245	4.454	50	5		GIBAHM
Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1[N+](=O)[O-]	ZINC000021112403	210378895	/nfs/dbraw/zinc/37/88/95/210378895.db2.gz	OSXYJFAYLUMIAV-KPKJPENVSA-N	-1	3	399.428	4.171	50	5		GIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000000851576	570662718	/nfs/dbraw/zinc/66/27/18/570662718.db2.gz	OJKMVOMPAKGIDF-UHFFFAOYSA-N	-1	3	384.413	4.496	50	5		GIBAHM
COc1ccc([N-]C(=O)c2ccc(COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	ZINC000005675642	570795320	/nfs/dbraw/zinc/79/53/20/570795320.db2.gz	IVZOEJKHNZZLTR-UHFFFAOYSA-N	-1	3	386.335	4.167	50	5		GIBAHM
CCCCOc1ccc(C(=O)NC(=S)[N-]c2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000004663306	209507527	/nfs/dbraw/zinc/50/75/27/209507527.db2.gz	FUVNLUXYMXHPBV-UHFFFAOYSA-N	-1	3	387.461	4.209	50	5		GIBAHM
O=[N+]([O-])c1ccccc1SCc1n[n-]c(=S)n1-c1ccccc1Cl	ZINC000001025168	209290545	/nfs/dbraw/zinc/29/05/45/209290545.db2.gz	KMQHJONIFBBHPO-UHFFFAOYSA-N	-1	3	378.866	4.410	50	5		GIBAHM
CCn1ncc([C@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000071785126	211062415	/nfs/dbraw/zinc/06/24/15/211062415.db2.gz	UELPIRRKLQDQNC-OAQYLSRUSA-N	-1	3	391.431	4.181	50	5		GIBAHM
CCCn1cc([C@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)cn1	ZINC000071785157	211061775	/nfs/dbraw/zinc/06/17/75/211061775.db2.gz	KURAHJYSMCTERH-OAQYLSRUSA-N	-1	3	391.431	4.263	50	5		GIBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)onc1-c1ccccc1Cl	ZINC000000728433	570303945	/nfs/dbraw/zinc/30/39/45/570303945.db2.gz	BODPNKYZDOQZIJ-UHFFFAOYSA-N	-1	3	387.779	4.473	50	5		GIBAHM
Cc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)cc2c1	ZINC000218239710	570457949	/nfs/dbraw/zinc/45/79/49/570457949.db2.gz	YQXHAVRKGTYJHM-UHFFFAOYSA-N	-1	3	382.379	4.380	50	5		GIBAHM
CCOC(=O)c1c([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC2	ZINC000005193346	570499614	/nfs/dbraw/zinc/49/96/14/570499614.db2.gz	MUKSGUOROZNQGR-UHFFFAOYSA-N	-1	3	394.836	4.227	50	5		GIBAHM
COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c([N+](=O)[O-])cc1[O-]	ZINC000028653344	820347688	/nfs/dbraw/zinc/34/76/88/820347688.db2.gz	JGVMESJFYJTSJV-OAQYLSRUSA-N	-1	3	388.383	4.298	50	5		GIBAHM
COc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)c(=O)[nH]c2c1	ZINC000217743874	209184965	/nfs/dbraw/zinc/18/49/65/209184965.db2.gz	BUSZBMREXZVLLN-UHFFFAOYSA-N	-1	3	398.378	4.080	50	5		GIBAHM
Cc1nc([N-]c2cccc([N+](=O)[O-])c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000005005984	570394604	/nfs/dbraw/zinc/39/46/04/570394604.db2.gz	JCQPUZNXFFLDTR-UHFFFAOYSA-N	-1	3	380.364	4.113	50	5		GIBAHM
COc1ccc(-c2ccc(C(=O)[N-]c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000005034508	570403301	/nfs/dbraw/zinc/40/33/01/570403301.db2.gz	UIDUGVFYAFSVIG-UHFFFAOYSA-N	-1	3	383.316	4.024	50	5		GIBAHM
Cc1cc(Br)ccc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000104228817	570897131	/nfs/dbraw/zinc/89/71/31/570897131.db2.gz	JMDOGFFWQQSFOD-UHFFFAOYSA-N	-1	3	397.141	4.226	50	5		GIBAHM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl	ZINC000014396380	210115294	/nfs/dbraw/zinc/11/52/94/210115294.db2.gz	HZSOVTOLOJKWOZ-UHFFFAOYSA-N	-1	3	394.758	4.376	50	5		GIBAHM
O=C1S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1Cc1cccc([N+](=O)[O-])c1	ZINC000013894737	210094974	/nfs/dbraw/zinc/09/49/74/210094974.db2.gz	BBRNHDJYYOJNPV-OVCLIPMQSA-N	-1	3	390.804	4.190	50	5		GIBAHM
O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1[O-]	ZINC000004828584	209530466	/nfs/dbraw/zinc/53/04/66/209530466.db2.gz	KQMDWGFHFASDQZ-OUKQBFOZSA-N	-1	3	385.379	4.170	50	5		GIBAHM
Cc1nn(C)c(C)c1[C@H]1CC(c2cccc([O-])c2)=NN1c1ccc([N+](=O)[O-])cc1	ZINC000071785133	211062519	/nfs/dbraw/zinc/06/25/19/211062519.db2.gz	GRVKQXZVPPKUES-HXUWFJFHSA-N	-1	3	391.431	4.006	50	5		GIBAHM
O=C([N-]c1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000000820817	570375195	/nfs/dbraw/zinc/37/51/95/570375195.db2.gz	XJYFWLUVEHHZQL-UHFFFAOYSA-N	-1	3	388.836	4.137	50	5		GIBAHM
O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccc([O-])c1	ZINC000004438113	570769031	/nfs/dbraw/zinc/76/90/31/570769031.db2.gz	LARKDLKRSVJSAQ-VAWYXSNFSA-N	-1	3	385.379	4.170	50	5		GIBAHM
O=[N+]([O-])c1c2nonc2c(Nc2ccccc2O)cc1Nc1cccc([O-])c1	ZINC000004805296	570995750	/nfs/dbraw/zinc/99/57/50/570995750.db2.gz	POOMYZPKIDRDMO-UHFFFAOYSA-N	-1	3	379.332	4.029	50	5		GIBAHM
CCCC[C@@H](CC)c1nnc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1	ZINC000002872611	209394487	/nfs/dbraw/zinc/39/44/87/209394487.db2.gz	MVNGSNJBBZXZFN-LLVKDONJSA-N	-1	3	378.454	4.391	50	5		GIBAHM
O=c1oc2c(Br)cc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[n-]1	ZINC000001072046	209296881	/nfs/dbraw/zinc/29/68/81/209296881.db2.gz	UWZHRJUSMQNCCD-UHFFFAOYSA-N	-1	3	386.161	4.007	50	5		GIBAHM
O=C(Nc1cccc(C=Cc2ccccn2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000032300787	210575247	/nfs/dbraw/zinc/57/52/47/210575247.db2.gz	IJYCCGBJMRDUNR-BQYQJAHWSA-N	-1	3	385.383	4.289	50	5		GIBAHM
COC(=O)c1c([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCC2	ZINC000005526399	570624805	/nfs/dbraw/zinc/62/48/05/570624805.db2.gz	ZYJZBNFZAKUPNS-UHFFFAOYSA-N	-1	3	394.836	4.227	50	5		GIBAHM
CSc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-]	ZINC000012781581	571035082	/nfs/dbraw/zinc/03/50/82/571035082.db2.gz	XDHBKHXHOXMBER-UHFFFAOYSA-N	-1	3	378.479	4.468	50	5		GIBAHM
Cc1cccc2c([O-])c3c(=O)cc(OCc4ccc([N+](=O)[O-])cc4)cc-3oc12	ZINC000005324388	570553432	/nfs/dbraw/zinc/55/34/32/570553432.db2.gz	ZHKCOIOHTDIOED-UHFFFAOYSA-N	-1	3	377.352	4.447	50	5		GIBAHM
Cc1cccc2c(=O)c3c([O-])cc(OCc4ccc([N+](=O)[O-])cc4)cc3oc12	ZINC000005324388	570553437	/nfs/dbraw/zinc/55/34/37/570553437.db2.gz	ZHKCOIOHTDIOED-UHFFFAOYSA-N	-1	3	377.352	4.447	50	5		GIBAHM
COc1ccc2occ(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)c(=O)c2c1	ZINC000217827813	212113661	/nfs/dbraw/zinc/11/36/61/212113661.db2.gz	DIQADOKMSQJCJS-UHFFFAOYSA-N	-1	3	399.362	4.345	50	5		GIBAHM
Cc1ccccc1CSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1	ZINC000008821972	221059436	/nfs/dbraw/zinc/05/94/36/221059436.db2.gz	MSZYRYSODQAWGM-UHFFFAOYSA-N	-1	3	386.458	4.299	50	5		GIBAHM
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)cc1	ZINC000079193037	222305054	/nfs/dbraw/zinc/30/50/54/222305054.db2.gz	NFOMEUHEMCATDY-UHFFFAOYSA-N	-1	3	375.384	4.283	50	5		GIBAHM
O=c1c2ccccc2nc(/C=C/c2ccccc2[O-])n1-c1ccccc1[N+](=O)[O-]	ZINC000004866878	570350968	/nfs/dbraw/zinc/35/09/68/570350968.db2.gz	UEMSIAANMXRJSU-BUHFOSPRSA-N	-1	3	385.379	4.170	50	5		GIBAHM
Cc1cccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-]	ZINC000001133181	570756508	/nfs/dbraw/zinc/75/65/08/570756508.db2.gz	MZVNVINRGIVWHE-UHFFFAOYSA-N	-1	3	388.836	4.251	50	5		GIBAHM
Cc1ccc([O-])c(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1	ZINC000004695668	570841358	/nfs/dbraw/zinc/84/13/58/570841358.db2.gz	SNWGSAKXTZOPSS-UHFFFAOYSA-N	-1	3	390.351	4.202	50	5		GIBAHM
O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1	ZINC000004267947	817514507	/nfs/dbraw/zinc/51/45/07/817514507.db2.gz	SZNJRAASAUSJDP-UHFFFAOYSA-N	-1	3	391.339	4.439	50	5		GIBAHM
COC(=O)c1ccc(COc2cc(=O)c3c([O-])c4ccccc4oc-3c2)cc1	ZINC000004083599	212146964	/nfs/dbraw/zinc/14/69/64/212146964.db2.gz	YVSFWAAIBQVHKC-UHFFFAOYSA-N	-1	3	376.364	4.017	50	5		GIBAHM
COC(=O)c1ccc(COc2cc([O-])c3c(c2)oc2ccccc2c3=O)cc1	ZINC000004083599	212146966	/nfs/dbraw/zinc/14/69/66/212146966.db2.gz	YVSFWAAIBQVHKC-UHFFFAOYSA-N	-1	3	376.364	4.017	50	5		GIBAHM
Cc1cc([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Br	ZINC000104229288	212083197	/nfs/dbraw/zinc/08/31/97/212083197.db2.gz	NEFPKNICNPWXGJ-UHFFFAOYSA-N	-1	3	397.141	4.226	50	5		GIBAHM
Cc1cccc(NC(=O)COc2cc(=O)c3c([O-])c4ccccc4oc-3c2)c1C	ZINC000009421023	221080339	/nfs/dbraw/zinc/08/03/39/221080339.db2.gz	CYTYEDHSJYYZJE-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
Cc1cccc(NC(=O)COc2cc([O-])c3c(c2)oc2ccccc2c3=O)c1C	ZINC000009421023	221080343	/nfs/dbraw/zinc/08/03/43/221080343.db2.gz	CYTYEDHSJYYZJE-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
COc1ccccc1Oc1cc([N-]C(=O)c2noc(C)c2C)cc([N+](=O)[O-])c1	ZINC000013641072	221277706	/nfs/dbraw/zinc/27/77/06/221277706.db2.gz	XFLHPPPNWCIHMK-UHFFFAOYSA-N	-1	3	383.360	4.253	50	5		GIBAHM
O=C([N-]c1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1	ZINC000015391385	221335101	/nfs/dbraw/zinc/33/51/01/221335101.db2.gz	ZFMRKLGISBMHCL-UHFFFAOYSA-N	-1	3	379.159	4.204	50	5		GIBAHM
CCn1ncc([C@@H]2CC(c3cccc([O-])c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000071785125	222197813	/nfs/dbraw/zinc/19/78/13/222197813.db2.gz	UELPIRRKLQDQNC-NRFANRHFSA-N	-1	3	391.431	4.181	50	5		GIBAHM
O=c1c(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc2cccc3c2n1CC3	ZINC000096221711	222397867	/nfs/dbraw/zinc/39/78/67/222397867.db2.gz	GHZHCYXCBFRFDA-UHFFFAOYSA-N	-1	3	394.390	4.101	50	5		GIBAHM
COc1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1	ZINC000000806022	570342074	/nfs/dbraw/zinc/34/20/74/570342074.db2.gz	PJKLPFUHQGWBBY-UHFFFAOYSA-N	-1	3	390.808	4.028	50	5		GIBAHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1	ZINC000004957255	570380375	/nfs/dbraw/zinc/38/03/75/570380375.db2.gz	QLMCXRAZVCMKII-UHFFFAOYSA-N	-1	3	380.731	4.068	50	5		GIBAHM
O=C([N-]c1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000004072631	570929739	/nfs/dbraw/zinc/92/97/39/570929739.db2.gz	UAEBRQYGCIMKFH-UHFFFAOYSA-N	-1	3	378.753	4.018	50	5		GIBAHM
COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c([N+](=O)[O-])cc1[O-]	ZINC000028653348	820347616	/nfs/dbraw/zinc/34/76/16/820347616.db2.gz	JGVMESJFYJTSJV-NRFANRHFSA-N	-1	3	388.383	4.298	50	5		GIBAHM
Cc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c(C)c1	ZINC000002025795	212262340	/nfs/dbraw/zinc/26/23/40/212262340.db2.gz	IGWMQUKPEAKKAU-UHFFFAOYSA-N	-1	3	398.400	4.496	50	5		GIBAHM
O=C1[N-][C@@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000001059889	212210737	/nfs/dbraw/zinc/21/07/37/212210737.db2.gz	VETAONACIBLEKE-AWEZNQCLSA-N	-1	3	384.442	4.031	50	5		GIBAHM
O=C([N-]c1nc2ccc(Br)cc2s1)c1ccc([N+](=O)[O-])s1	ZINC000004069874	220675880	/nfs/dbraw/zinc/67/58/80/220675880.db2.gz	KUFBNTLOHDRJTG-UHFFFAOYSA-N	-1	3	384.236	4.281	50	5		GIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000006653317	220947367	/nfs/dbraw/zinc/94/73/67/220947367.db2.gz	IAGCETJVIIBGQX-UHFFFAOYSA-N	-1	3	389.477	4.003	50	5		GIBAHM
Cc1ccc(C)c(NC(=O)COc2cc(=O)c3c([O-])c4ccccc4oc-3c2)c1	ZINC000009476643	221081281	/nfs/dbraw/zinc/08/12/81/221081281.db2.gz	LATPORJAFWTZSE-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
Cc1ccc(C)c(NC(=O)COc2cc([O-])c3c(c2)oc2ccccc2c3=O)c1	ZINC000009476643	221081285	/nfs/dbraw/zinc/08/12/85/221081285.db2.gz	LATPORJAFWTZSE-UHFFFAOYSA-N	-1	3	389.407	4.286	50	5		GIBAHM
O=C([N-]c1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc([N+](=O)[O-])s1	ZINC000017170227	221381515	/nfs/dbraw/zinc/38/15/15/221381515.db2.gz	KSOZYEXAJMVHSW-UHFFFAOYSA-N	-1	3	382.404	4.002	50	5		GIBAHM
CCCSc1ccc([N+](=O)[O-])c([N-]C(=O)c2nn(-c3ccccc3)nc2C)c1	ZINC000004300553	570217738	/nfs/dbraw/zinc/21/77/38/570217738.db2.gz	UBVVVTDHZQXFDZ-UHFFFAOYSA-N	-1	3	397.460	4.238	50	5		GIBAHM
O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1[O-]	ZINC000004827598	570284209	/nfs/dbraw/zinc/28/42/09/570284209.db2.gz	VJMQVSYPSNIZGQ-SDNWHVSQSA-N	-1	3	385.379	4.170	50	5		GIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1	ZINC000006623414	570506687	/nfs/dbraw/zinc/50/66/87/570506687.db2.gz	AADYUFUWVYAHGF-UHFFFAOYSA-N	-1	3	399.428	4.148	50	5		GIBAHM
CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000001217994	570795846	/nfs/dbraw/zinc/79/58/46/570795846.db2.gz	DAVRSIZSORRPIT-UHFFFAOYSA-N	-1	3	382.825	4.356	50	5		GIBAHM
O=C([N-]c1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cc(-c2ccco2)on1	ZINC000036709425	570798512	/nfs/dbraw/zinc/79/85/12/570798512.db2.gz	NJEZNLTWZJJEOG-UHFFFAOYSA-N	-1	3	388.386	4.280	50	5		GIBAHM
COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC1CCCC1	ZINC000024509216	570885737	/nfs/dbraw/zinc/88/57/37/570885737.db2.gz	DPGACXDNPVZTKH-UHFFFAOYSA-N	-1	3	396.403	4.053	50	5		GIBAHM
O=C([N-]c1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1c(F)cccc1Cl	ZINC000004079012	570931147	/nfs/dbraw/zinc/93/11/47/570931147.db2.gz	PREIZISRJGUXPH-UHFFFAOYSA-N	-1	3	378.772	4.158	50	5		GIBAHM
Cc1c([O-])ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc12	ZINC000057553646	823309530	/nfs/dbraw/zinc/30/95/30/823309530.db2.gz	UPKRVPRYNWIAQR-UHFFFAOYSA-N	-1	3	388.807	4.001	50	5		GIBAHM
COc1ccc(-c2c3cnn(C)c3nc3c4ccc([O-])cc4oc32)cc1OC	ZINC000253411441	212136482	/nfs/dbraw/zinc/13/64/82/212136482.db2.gz	OPJVFWHZBKAFRD-UHFFFAOYSA-N	-1	3	375.384	4.258	50	5		GIBAHM
O=C1[N-][C@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000001059893	212210690	/nfs/dbraw/zinc/21/06/90/212210690.db2.gz	VETAONACIBLEKE-CQSZACIVSA-N	-1	3	384.442	4.031	50	5		GIBAHM
CCc1c(C)sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)OC	ZINC000000997919	212204202	/nfs/dbraw/zinc/20/42/02/212204202.db2.gz	AVJLIHZDJDLBJV-UHFFFAOYSA-N	-1	3	382.825	4.219	50	5		GIBAHM
O=C([N-]c1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000001004158	212204107	/nfs/dbraw/zinc/20/41/07/212204107.db2.gz	IWRINKBNPMUROZ-UHFFFAOYSA-N	-1	3	399.366	4.327	50	5		GIBAHM
COc1cc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc2c1OCCO2	ZINC000217901212	212112791	/nfs/dbraw/zinc/11/27/91/212112791.db2.gz	HZSDLEPHQIVJLH-UHFFFAOYSA-N	-1	3	389.367	4.010	50	5		GIBAHM
Nc1nc(NCc2ccc(Cl)cc2)nc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000005164532	570472603	/nfs/dbraw/zinc/47/26/03/570472603.db2.gz	LPTZYILVRWQPEA-UHFFFAOYSA-N	-1	3	388.790	4.115	50	5		GIBAHM
Cc1ccc([O-])c(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	ZINC000001209724	212229831	/nfs/dbraw/zinc/22/98/31/212229831.db2.gz	HXUVOJRJAWUJRW-UHFFFAOYSA-N	-1	3	390.351	4.202	50	5		GIBAHM
Cc1cccc(C(=O)[N-]c2nnc(C[C@@H](C)c3ccccc3)s2)c1[N+](=O)[O-]	ZINC000009196896	221073508	/nfs/dbraw/zinc/07/35/08/221073508.db2.gz	SVBYPQCUPNXUMS-CYBMUJFWSA-N	-1	3	382.445	4.353	50	5		GIBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	ZINC000004754510	570963347	/nfs/dbraw/zinc/96/33/47/570963347.db2.gz	WHXRATBTHRDTFW-UHFFFAOYSA-N	-1	3	377.425	4.389	50	5		GIBAHM
O=C([N-]c1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006448021	220934667	/nfs/dbraw/zinc/93/46/67/220934667.db2.gz	UKJRERQCXVBFAQ-UHFFFAOYSA-N	-1	3	384.204	4.001	50	5		GIBAHM
COc1cc2nc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2cc1OC	ZINC000004479915	570802603	/nfs/dbraw/zinc/80/26/03/570802603.db2.gz	FFSJOGVYQOTYSC-UHFFFAOYSA-N	-1	3	393.808	4.127	50	5		GIBAHM