smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000003296188	194270503	/nfs/dbraw/zinc/27/05/03/194270503.db2.gz	XRDABBPERIGOTE-JTQLQIEISA-N	-1	3	480.480	1.876	50	5		JDBAHM
N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005460577	527385161	/nfs/dbraw/zinc/38/51/61/527385161.db2.gz	CZDGIHFIUNLSOO-SJLPKXTDSA-N	-1	3	475.458	1.930	50	5		JDBAHM
O=C([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1	ZINC000009562401	555363099	/nfs/dbraw/zinc/36/30/99/555363099.db2.gz	XMOZSAUBPPIFDO-UHFFFAOYSA-N	-1	3	482.540	1.766	50	5		JDBAHM
COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000013857230	555635744	/nfs/dbraw/zinc/63/57/44/555635744.db2.gz	IQZCCAHVEYQBIZ-XJKSGUPXSA-N	-1	3	455.423	1.911	50	5		JDBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C	ZINC000027534475	556294192	/nfs/dbraw/zinc/29/41/92/556294192.db2.gz	HPVKGGNTAJJMEV-UHFFFAOYSA-N	-1	3	487.494	1.794	50	5		JDBAHM
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019076908	556328190	/nfs/dbraw/zinc/32/81/90/556328190.db2.gz	XVTSUFUFDZLTFC-JTQLQIEISA-N	-1	3	495.495	1.457	50	5		JDBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1C	ZINC000096203507	569737375	/nfs/dbraw/zinc/73/73/75/569737375.db2.gz	LTXBKZPKYOAGTK-LBPRGKRZSA-N	-1	3	469.520	1.882	50	5		JDBAHM
COCCNC(=O)c1nn(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)C)c1C	ZINC000096203497	569737398	/nfs/dbraw/zinc/73/73/98/569737398.db2.gz	JFYUDYAAXPTOBN-UHFFFAOYSA-N	-1	3	455.493	1.492	50	5		JDBAHM
COCCNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)n(C)n1	ZINC000096203454	569737412	/nfs/dbraw/zinc/73/74/12/569737412.db2.gz	SGTNONRDMRUKTE-UHFFFAOYSA-N	-1	3	455.493	1.431	50	5		JDBAHM
Cc1c(C(=O)N2CCOCC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203496	569737425	/nfs/dbraw/zinc/73/74/25/569737425.db2.gz	SNSPIFOEHOZINX-UHFFFAOYSA-N	-1	3	467.504	1.588	50	5		JDBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCOCC2)nn1C	ZINC000096203466	569737470	/nfs/dbraw/zinc/73/74/70/569737470.db2.gz	ZRGZMAVQDYLCFB-ZDUSSCGKSA-N	-1	3	467.504	1.670	50	5		JDBAHM
CCn1nc(C(=O)NCCOC)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1	ZINC000096203573	569737632	/nfs/dbraw/zinc/73/76/32/569737632.db2.gz	TVJDQFYUGBMGEB-UHFFFAOYSA-N	-1	3	467.504	1.729	50	5		JDBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203891	569737843	/nfs/dbraw/zinc/73/78/43/569737843.db2.gz	FXUQYTWFKCRZNI-OAHLLOKOSA-N	-1	3	481.531	1.964	50	5		JDBAHM
N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005460589	527329756	/nfs/dbraw/zinc/32/97/56/527329756.db2.gz	CZDGIHFIUNLSOO-WMZOPIPTSA-N	-1	3	475.458	1.930	50	5		JDBAHM
Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c([N+](=O)[O-])cc1C	ZINC000009579917	555384612	/nfs/dbraw/zinc/38/46/12/555384612.db2.gz	KPMHLBJHMJGTLM-UHFFFAOYSA-N	-1	3	493.494	1.734	50	5		JDBAHM
COC(=O)C(Cc1nc2cc(C)c(C)cc2[nH]c1=O)=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019878881	555524596	/nfs/dbraw/zinc/52/45/96/555524596.db2.gz	NDNFYUQTMUJKLA-HNNXBMFYSA-N	-1	3	452.423	1.988	50	5		JDBAHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000013856684	555634972	/nfs/dbraw/zinc/63/49/72/555634972.db2.gz	DCOFAMJAUHNJLQ-CQSZACIVSA-N	-1	3	456.367	1.422	50	5		JDBAHM
COc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000023374988	556050178	/nfs/dbraw/zinc/05/01/78/556050178.db2.gz	BHICCJBQSBGOGK-UHFFFAOYSA-N	-1	3	471.875	1.395	50	5		JDBAHM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@H]43)C2=O)cc1	ZINC000230037917	570043986	/nfs/dbraw/zinc/04/39/86/570043986.db2.gz	POOGYTSAJYJEBF-CVDCTZTESA-N	-1	3	465.466	1.549	50	5		JDBAHM
N[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005460567	527385705	/nfs/dbraw/zinc/38/57/05/527385705.db2.gz	CZDGIHFIUNLSOO-AEFFLSMTSA-N	-1	3	475.458	1.930	50	5		JDBAHM
CCCS(=O)(=O)c1ccc(COC(=O)C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1	ZINC000002863039	554389881	/nfs/dbraw/zinc/38/98/81/554389881.db2.gz	CUUYEFZAUIIQAU-UHFFFAOYSA-N	-1	3	486.524	1.809	50	5		JDBAHM
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000013857229	555635778	/nfs/dbraw/zinc/63/57/78/555635778.db2.gz	IQZCCAHVEYQBIZ-CZUORRHYSA-N	-1	3	455.423	1.911	50	5		JDBAHM
Cn1nc(C(=O)N2CCOCC2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC1	ZINC000096203479	569737381	/nfs/dbraw/zinc/73/73/81/569737381.db2.gz	CIENFKWMZZOYOE-UHFFFAOYSA-N	-1	3	451.461	1.034	50	5		JDBAHM
CCn1nc(C(=O)NCCOC)c(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)C	ZINC000096203535	569737545	/nfs/dbraw/zinc/73/75/45/569737545.db2.gz	FQVUNFQGDJREIO-UHFFFAOYSA-N	-1	3	469.520	1.975	50	5		JDBAHM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229877853	570041624	/nfs/dbraw/zinc/04/16/24/570041624.db2.gz	IQIGDLUTHTUYKK-RDPSFJRHSA-N	-1	3	493.476	1.265	50	5		JDBAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000009381998	555145691	/nfs/dbraw/zinc/14/56/91/555145691.db2.gz	QSZUMEQHCJTUBO-UHFFFAOYSA-N	-1	3	479.478	1.874	50	5		JDBAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)[n-]c1=O	ZINC000013148827	555350503	/nfs/dbraw/zinc/35/05/03/555350503.db2.gz	IJBRITQNNZZFPV-UHFFFAOYSA-N	-1	3	453.455	1.829	50	5		JDBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCOCC2)nn1C	ZINC000096203480	569737417	/nfs/dbraw/zinc/73/74/17/569737417.db2.gz	JRABULYVPCLVOP-UHFFFAOYSA-N	-1	3	453.477	1.281	50	5		JDBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003115860	194227902	/nfs/dbraw/zinc/22/79/02/194227902.db2.gz	SQCARJJMBMCNKD-UHFFFAOYSA-N	-1	3	458.474	1.540	50	5		JDBAHM
C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000003296190	194270493	/nfs/dbraw/zinc/27/04/93/194270493.db2.gz	XRDABBPERIGOTE-SNVBAGLBSA-N	-1	3	480.480	1.876	50	5		JDBAHM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCN(C)C[C@H]43)C2=O)cc1	ZINC000012416769	524395276	/nfs/dbraw/zinc/39/52/76/524395276.db2.gz	POOGYTSAJYJEBF-WMZHIEFXSA-N	-1	3	465.466	1.549	50	5		JDBAHM
O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1NC=C[C@@]1([O-])C(F)(F)F	ZINC000008782627	526304618	/nfs/dbraw/zinc/30/46/18/526304618.db2.gz	WKVCLGZQAGNYML-OAHLLOKOSA-N	-1	3	450.395	1.465	50	5		JDBAHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)c1cccc([N+](=O)[O-])c1	ZINC000013856685	555635029	/nfs/dbraw/zinc/63/50/29/555635029.db2.gz	DCOFAMJAUHNJLQ-AWEZNQCLSA-N	-1	3	456.367	1.422	50	5		JDBAHM
CN(C)C(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000025573779	556222093	/nfs/dbraw/zinc/22/20/93/556222093.db2.gz	RRMFRAJYGBMOBA-UHFFFAOYSA-N	-1	3	452.383	1.898	50	5		JDBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCOCC2)nn1C	ZINC000096203453	569737415	/nfs/dbraw/zinc/73/74/15/569737415.db2.gz	WLUFCZSYZYUPGM-UHFFFAOYSA-N	-1	3	467.504	1.527	50	5		JDBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1C	ZINC000096203524	569737618	/nfs/dbraw/zinc/73/76/18/569737618.db2.gz	APWOHTWIPKDSGG-UHFFFAOYSA-N	-1	3	455.493	1.494	50	5		JDBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203900	569737886	/nfs/dbraw/zinc/73/78/86/569737886.db2.gz	SPKIZMXACUOPIM-AWEZNQCLSA-N	-1	3	467.504	1.718	50	5		JDBAHM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4Cl)C[C@@H]32)C(=O)N1	ZINC000217688621	569881010	/nfs/dbraw/zinc/88/10/10/569881010.db2.gz	FSRWXOVENFDLJL-GOSISDBHSA-N	-1	3	469.885	1.848	50	5		JDBAHM
CN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229877863	570041597	/nfs/dbraw/zinc/04/15/97/570041597.db2.gz	IQIGDLUTHTUYKK-GBXCKJPGSA-N	-1	3	493.476	1.265	50	5		JDBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1	ZINC000245325527	570064294	/nfs/dbraw/zinc/06/42/94/570064294.db2.gz	FNDAVVMWWQOOQE-GCJKJVERSA-N	-1	3	453.430	1.680	50	5		JDBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@H]2C1	ZINC000245325530	570064338	/nfs/dbraw/zinc/06/43/38/570064338.db2.gz	FNDAVVMWWQOOQE-XMSQKQJNSA-N	-1	3	453.430	1.680	50	5		JDBAHM
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])Nc1cc([N+](=O)[O-])ccc1F	ZINC000003269454	526913073	/nfs/dbraw/zinc/91/30/73/526913073.db2.gz	KNZJEIFIMODLOF-UHFFFAOYSA-N	-1	3	483.430	1.256	50	5		JDBAHM
O=C(CSc1nnc(Cc2cc(=O)[n-]c(=O)[nH]2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000009381997	555145703	/nfs/dbraw/zinc/14/57/03/555145703.db2.gz	NYNWKBHXORYDEC-UHFFFAOYSA-N	-1	3	479.478	1.874	50	5		JDBAHM
COC(=O)C(Cc1nc2cc(C)c(C)cc2[nH]c1=O)=C([O-])C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000019878883	555524501	/nfs/dbraw/zinc/52/45/01/555524501.db2.gz	NDNFYUQTMUJKLA-OAHLLOKOSA-N	-1	3	452.423	1.988	50	5		JDBAHM
O=C1[N-]C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4Cl)C[C@H]32)C(=O)N1	ZINC000012375491	555962514	/nfs/dbraw/zinc/96/25/14/555962514.db2.gz	FSRWXOVENFDLJL-SFHVURJKSA-N	-1	3	469.885	1.848	50	5		JDBAHM
COCCn1c(N)c(N(Cc2ccccc2)C(=O)CCNc2ccccc2[N+](=O)[O-])c(=O)[n-]c1=O	ZINC000012543125	556019160	/nfs/dbraw/zinc/01/91/60/556019160.db2.gz	IPBKXXHUMHRDHW-UHFFFAOYSA-N	-1	3	482.497	1.709	50	5		JDBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCOCC2)nn1C	ZINC000096203465	569737408	/nfs/dbraw/zinc/73/74/08/569737408.db2.gz	ZRGZMAVQDYLCFB-CYBMUJFWSA-N	-1	3	467.504	1.670	50	5		JDBAHM
COCCNC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]C(C)(C)C)n(C)n1	ZINC000096203474	569737449	/nfs/dbraw/zinc/73/74/49/569737449.db2.gz	NNHVEXGOYQIGPO-UHFFFAOYSA-N	-1	3	455.493	1.574	50	5		JDBAHM
COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1C(C)C	ZINC000096203601	569737629	/nfs/dbraw/zinc/73/76/29/569737629.db2.gz	POXNJVMVHCUTLY-UHFFFAOYSA-N	-1	3	499.546	1.774	50	5		JDBAHM
CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@H]2CCCO2)nn1C	ZINC000096203901	569737907	/nfs/dbraw/zinc/73/79/07/569737907.db2.gz	SPKIZMXACUOPIM-CQSZACIVSA-N	-1	3	467.504	1.718	50	5		JDBAHM
COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCC(C)C)nn1C	ZINC000106888970	569855891	/nfs/dbraw/zinc/85/58/91/569855891.db2.gz	GGPFXGCOBWTXGS-UHFFFAOYSA-N	-1	3	469.520	1.740	50	5		JDBAHM
COCCNC(=O)c1nn(C)c(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]CC(C)C)c1C	ZINC000096203489	536892425	/nfs/dbraw/zinc/89/24/25/536892425.db2.gz	GUHVMVQAJNQMOB-UHFFFAOYSA-N	-1	3	469.520	1.740	50	5		JDBAHM
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1	ZINC000009128974	554926389	/nfs/dbraw/zinc/92/63/89/554926389.db2.gz	FNDAVVMWWQOOQE-PGRDOPGGSA-N	-1	3	453.430	1.680	50	5		JDBAHM
COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000013857228	555635766	/nfs/dbraw/zinc/63/57/66/555635766.db2.gz	IQZCCAHVEYQBIZ-BBRMVZONSA-N	-1	3	455.423	1.911	50	5		JDBAHM
CC(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)N2CCOCC2)nn1C	ZINC000096203462	569737379	/nfs/dbraw/zinc/73/73/79/569737379.db2.gz	ZRIMMUAQHQBOQF-UHFFFAOYSA-N	-1	3	453.477	1.280	50	5		JDBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1C	ZINC000096203504	569737404	/nfs/dbraw/zinc/73/74/04/569737404.db2.gz	CVAKJBAHDNGILB-CYBMUJFWSA-N	-1	3	481.531	1.978	50	5		JDBAHM
Cn1nc(C(=O)N2CCOCC2)cc1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203473	569737437	/nfs/dbraw/zinc/73/74/37/569737437.db2.gz	AYGRYAREBHHNSD-UHFFFAOYSA-N	-1	3	467.504	1.670	50	5		JDBAHM
CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)NCCOC)nn1C	ZINC000096203506	569737452	/nfs/dbraw/zinc/73/74/52/569737452.db2.gz	LTXBKZPKYOAGTK-GFCCVEGCSA-N	-1	3	469.520	1.882	50	5		JDBAHM
Cc1c(C(=O)N2CCOCC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C	ZINC000096203521	569737603	/nfs/dbraw/zinc/73/76/03/569737603.db2.gz	IRAXEBLJFGBTHZ-UHFFFAOYSA-N	-1	3	481.531	1.978	50	5		JDBAHM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)cc1F	ZINC000012749713	195104855	/nfs/dbraw/zinc/10/48/55/195104855.db2.gz	UXGZMQKCVHZLGQ-UHFFFAOYSA-N	-1	3	463.440	1.695	50	5		JDBAHM
N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000005460593	527329213	/nfs/dbraw/zinc/32/92/13/527329213.db2.gz	CZDGIHFIUNLSOO-FUHWJXTLSA-N	-1	3	475.458	1.930	50	5		JDBAHM
O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1NC=C[C@]1([O-])C(F)(F)F	ZINC000008782628	554679838	/nfs/dbraw/zinc/67/98/38/554679838.db2.gz	WKVCLGZQAGNYML-HNNXBMFYSA-N	-1	3	450.395	1.465	50	5		JDBAHM
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000009373501	555135326	/nfs/dbraw/zinc/13/53/26/555135326.db2.gz	RAIGCNIGRCRHCZ-UHFFFAOYSA-N	-1	3	495.466	1.125	50	5		JDBAHM
COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000013857227	555635853	/nfs/dbraw/zinc/63/58/53/555635853.db2.gz	IQZCCAHVEYQBIZ-CJNGLKHVSA-N	-1	3	455.423	1.911	50	5		JDBAHM
Cc1c(C(=O)N2CCOCC2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)C	ZINC000096203488	569737431	/nfs/dbraw/zinc/73/74/31/569737431.db2.gz	APNFPYREHSYCKV-UHFFFAOYSA-N	-1	3	481.531	1.836	50	5		JDBAHM
CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1c(C)c(C(=O)N2CCOCC2)nn1C	ZINC000096203505	569737443	/nfs/dbraw/zinc/73/74/43/569737443.db2.gz	CVAKJBAHDNGILB-ZDUSSCGKSA-N	-1	3	481.531	1.978	50	5		JDBAHM
CC(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cc(C(=O)NC[C@@H]2CCCO2)nn1C	ZINC000096203890	569737830	/nfs/dbraw/zinc/73/78/30/569737830.db2.gz	FXUQYTWFKCRZNI-HNNXBMFYSA-N	-1	3	481.531	1.964	50	5		JDBAHM
O=C(Nc1nnc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[n-]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100740204	569768288	/nfs/dbraw/zinc/76/82/88/569768288.db2.gz	GRPPMLKRWQDBOS-UHFFFAOYSA-N	-1	3	487.301	1.942	50	5		JDBAHM