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(Nc1ncc(Br)s1)c1ccc([N+](=O)[O-])[n-]1	ZINC000037437174	1078201077	/nfs/dbraw/zinc/20/10/77/1078201077.db2.gz	JRVFNNFXPPOCTR-UHFFFAOYSA-N	-1	1	317.124	2.394	10	5		DEBEMM
O=C(N[C@@H]1CCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000444958675	238364834	/nfs/dbraw/zinc/36/48/34/238364834.db2.gz	IWAMXXWWXMSAMI-MRVPVSSYSA-N	-1	1	301.249	2.003	10	5		DEBEMM
CCNc1cc(CSc2nccc(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000094778133	193396208	/nfs/dbraw/zinc/39/62/08/193396208.db2.gz	SUFJKVSKABTTNV-UHFFFAOYSA-N	-1	1	306.347	2.402	10	5		DEBEMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(O)cc1	ZINC000043511977	183369219	/nfs/dbraw/zinc/36/92/19/183369219.db2.gz	JXXKJSLQOVCHMA-UHFFFAOYSA-N	-1	1	308.315	2.410	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1	ZINC000064241130	184293160	/nfs/dbraw/zinc/29/31/60/184293160.db2.gz	FAATWSCMIFMWPF-UHFFFAOYSA-N	-1	1	316.335	2.274	10	5		DEBEMM
CCC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1	ZINC000135616028	401948341	/nfs/dbraw/zinc/94/83/41/401948341.db2.gz	YBYDMEOPQWUICD-UHFFFAOYSA-N	-1	1	302.327	2.345	10	5		DEBEMM
CN(C)N=c1nc[n-]c(Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040628967	183111008	/nfs/dbraw/zinc/11/10/08/183111008.db2.gz	NMFYZFASBQKFEN-UHFFFAOYSA-N	-1	1	310.264	2.295	10	5		DEBEMM
Cc1cc([N-]S(=O)(=O)c2ccc(O)cc2)ccc1[N+](=O)[O-]	ZINC000043570302	183372614	/nfs/dbraw/zinc/37/26/14/183372614.db2.gz	PKCFHNWPXVLKJN-UHFFFAOYSA-N	-1	1	308.315	2.410	10	5		DEBEMM
C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159080063	197325789	/nfs/dbraw/zinc/32/57/89/197325789.db2.gz	UHUCKEFWQLRTLZ-WDSKDSINSA-N	-1	1	310.784	2.244	10	5		DEBEMM
CC(C)OCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181847873	356098191	/nfs/dbraw/zinc/09/81/91/356098191.db2.gz	UFCUCJXTJDPNFJ-UHFFFAOYSA-N	-1	1	322.408	2.140	10	5		DEBEMM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1	ZINC000157409368	197185428	/nfs/dbraw/zinc/18/54/28/197185428.db2.gz	AOBXMQOJKSJRSL-YFKPBYRVSA-N	-1	1	310.784	2.387	10	5		DEBEMM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(O)cc2SC)n1	ZINC000191902230	529154753	/nfs/dbraw/zinc/15/47/53/529154753.db2.gz	WYVZNCIDJTZETI-UHFFFAOYSA-N	-1	1	322.346	2.491	10	5		DEBEMM
O=C(N[C@H]1CCCC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000444958676	238365825	/nfs/dbraw/zinc/36/58/25/238365825.db2.gz	IWAMXXWWXMSAMI-QMMMGPOBSA-N	-1	1	301.249	2.003	10	5		DEBEMM
CCOC(=O)c1ccccc1[N-]c1ncnc(NC)c1[N+](=O)[O-]	ZINC000040596015	183106899	/nfs/dbraw/zinc/10/68/99/183106899.db2.gz	XUVGXXSCEZHFNV-UHFFFAOYSA-N	-1	1	317.305	2.347	10	5		DEBEMM
O=C([O-])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F	ZINC000262969195	145314946	/nfs/dbraw/zinc/31/49/46/145314946.db2.gz	LQKZKGPDTVRBCT-NXEZZACHSA-N	-1	1	318.251	2.290	10	5		DEBEMM
CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000582516689	337099988	/nfs/dbraw/zinc/09/99/88/337099988.db2.gz	LCJUAXZDRBYXNK-UHFFFAOYSA-N	-1	1	318.289	2.055	10	5		DEBEMM
COc1ccccc1Oc1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040629038	183110846	/nfs/dbraw/zinc/11/08/46/183110846.db2.gz	XKKPAIBSNNPIPI-UHFFFAOYSA-N	-1	1	305.294	2.074	10	5		DEBEMM
C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000186758629	402462188	/nfs/dbraw/zinc/46/21/88/402462188.db2.gz	AXDMLLOBDMKSIH-ZETCQYMHSA-N	-1	1	323.255	2.465	10	5		DEBEMM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)c(F)c2F)n1	ZINC000191451668	529154806	/nfs/dbraw/zinc/15/48/06/529154806.db2.gz	MRCKVQKPCHYGKY-UHFFFAOYSA-N	-1	1	314.223	2.481	10	5		DEBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccco2)sc1Cl	ZINC000107551340	185483889	/nfs/dbraw/zinc/48/38/89/185483889.db2.gz	GFGMUEAZGKAULA-UHFFFAOYSA-N	-1	1	322.751	2.381	10	5		DEBEMM
C[C@@H](N)c1nc(C(=O)[N-]c2c(F)cccc2[N+](=O)[O-])cs1	ZINC000132588748	196268555	/nfs/dbraw/zinc/26/85/55/196268555.db2.gz	JRBJNBIKWFDSFI-ZCFIWIBFSA-N	-1	1	310.310	2.462	10	5		DEBEMM
O=C([N-]OCC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000135227081	196455564	/nfs/dbraw/zinc/45/55/64/196455564.db2.gz	GAIDCUTUOKUSDJ-UHFFFAOYSA-N	-1	1	300.139	2.097	10	5		DEBEMM
COc1cc(O)c2c(=O)c3cc(OC)c([O-])c(OC)c3oc2c1	ZINC000014649050	277385923	/nfs/dbraw/zinc/38/59/23/277385923.db2.gz	IDZNVJWQZDSPIX-UHFFFAOYSA-N	-1	1	318.281	2.383	10	5	biogenic,in-vitro	DEBEMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2N)cc1	ZINC000034236420	354160953	/nfs/dbraw/zinc/16/09/53/354160953.db2.gz	LRNSLLSTVZMBCR-UHFFFAOYSA-N	-1	1	307.331	2.286	10	5		DEBEMM
CN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000102792191	402172186	/nfs/dbraw/zinc/17/21/86/402172186.db2.gz	ZNPVTAZZLWVGJN-UHFFFAOYSA-N	-1	1	305.265	2.107	10	5		DEBEMM
CC(C)CO[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000134121680	196363641	/nfs/dbraw/zinc/36/36/41/196363641.db2.gz	WUSIFBWWBRPXDY-UHFFFAOYSA-N	-1	1	308.743	2.114	10	5		DEBEMM
CC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1	ZINC000362709335	534743159	/nfs/dbraw/zinc/74/31/59/534743159.db2.gz	UCVDFFBRDQPLTE-UHFFFAOYSA-N	-1	1	302.290	2.158	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1	ZINC000126501319	401697612	/nfs/dbraw/zinc/69/76/12/401697612.db2.gz	QPSUNKBJJLSGIC-UHFFFAOYSA-N	-1	1	324.362	2.380	10	5		DEBEMM
O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000111646987	401719600	/nfs/dbraw/zinc/71/96/00/401719600.db2.gz	JMCJZJPRSZSKRY-DGCLKSJQSA-N	-1	1	313.313	2.229	10	5		DEBEMM
CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000174069688	402725875	/nfs/dbraw/zinc/72/58/75/402725875.db2.gz	HORNPXUINRCRDX-MRVPVSSYSA-N	-1	1	324.449	2.466	10	5		DEBEMM
O=C(NCCCc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000193570347	534850279	/nfs/dbraw/zinc/85/02/79/534850279.db2.gz	SSLTXRCIADMQFL-UHFFFAOYSA-N	-1	1	319.292	2.197	10	5		DEBEMM
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1nc2ccccc2[n-]1	ZINC000057312154	184032899	/nfs/dbraw/zinc/03/28/99/184032899.db2.gz	NKTSWYXGALCHLS-UHFFFAOYSA-N	-1	1	319.298	2.239	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccsc2)s1	ZINC000064245454	184293264	/nfs/dbraw/zinc/29/32/64/184293264.db2.gz	UNFZGTVDURTCKD-UHFFFAOYSA-N	-1	1	318.401	2.239	10	5		DEBEMM
CCCN(C[C@@H]1CCCCO1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187078178	402481845	/nfs/dbraw/zinc/48/18/45/402481845.db2.gz	HQIQQZNCLITAOR-LBPRGKRZSA-N	-1	1	323.349	2.117	10	5		DEBEMM
COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173517126	402700515	/nfs/dbraw/zinc/70/05/15/402700515.db2.gz	BODVUGYZWFXCTK-QMMMGPOBSA-N	-1	1	322.408	2.138	10	5		DEBEMM
CC[C@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181616071	356088583	/nfs/dbraw/zinc/08/85/83/356088583.db2.gz	QHNSWEKSINGQBA-SSDOTTSWSA-N	-1	1	310.422	2.076	10	5		DEBEMM
C[C@H](N)c1nc(C(=O)[N-]c2c(F)cccc2[N+](=O)[O-])cs1	ZINC000132588571	196267906	/nfs/dbraw/zinc/26/79/06/196267906.db2.gz	JRBJNBIKWFDSFI-LURJTMIESA-N	-1	1	310.310	2.462	10	5		DEBEMM
O=c1[n-]cnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040659855	183114970	/nfs/dbraw/zinc/11/49/70/183114970.db2.gz	KFUSHFMPZPWYLU-UHFFFAOYSA-N	-1	1	316.195	2.320	10	5		DEBEMM
Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)F)s1	ZINC000193927220	225170511	/nfs/dbraw/zinc/17/05/11/225170511.db2.gz	XWDOAHPAFLBZIB-UHFFFAOYSA-N	-1	1	315.261	2.340	10	5		DEBEMM
CCCN(C[C@H]1CCCCO1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187078196	283288536	/nfs/dbraw/zinc/28/85/36/283288536.db2.gz	HQIQQZNCLITAOR-GFCCVEGCSA-N	-1	1	323.349	2.117	10	5		DEBEMM
CCN(c1ccccc1)c1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040573353	183104360	/nfs/dbraw/zinc/10/43/60/183104360.db2.gz	CSNCTQKYBAXQRX-UHFFFAOYSA-N	-1	1	302.338	2.431	10	5		DEBEMM
CNc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000050650237	183794370	/nfs/dbraw/zinc/79/43/70/183794370.db2.gz	NVYMBJDQWUMLQB-UHFFFAOYSA-N	-1	1	307.331	2.437	10	5		DEBEMM
NCc1nc(C(=O)[N-]c2c(F)cc(F)cc2[N+](=O)[O-])cs1	ZINC000132532304	196263674	/nfs/dbraw/zinc/26/36/74/196263674.db2.gz	PGOZNDDCRGOCOL-UHFFFAOYSA-N	-1	1	314.273	2.041	10	5		DEBEMM
O=C([O-])CSc1nc(-c2c(Cl)cccc2[N+](=O)[O-])n[nH]1	ZINC000111009524	194381598	/nfs/dbraw/zinc/38/15/98/194381598.db2.gz	RFYJPBTYGRJBDQ-UHFFFAOYSA-N	-1	1	314.710	2.210	10	5		DEBEMM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnc(Cl)s1	ZINC000157856782	197220857	/nfs/dbraw/zinc/22/08/57/197220857.db2.gz	OTEMWKNFHBLSFG-UHFFFAOYSA-N	-1	1	314.710	2.361	10	5		DEBEMM
C[C@@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1nn[n-]n1	ZINC000087834407	185232766	/nfs/dbraw/zinc/23/27/66/185232766.db2.gz	QNEIBPJPAJBJJA-RXMQYKEDSA-N	-1	1	313.115	2.044	10	5		DEBEMM
Cc1ccc([N-]c2ncnc(N3CCCC3)c2[N+](=O)[O-])nc1	ZINC000040609274	183108704	/nfs/dbraw/zinc/10/87/04/183108704.db2.gz	APQLHKGAWFWCGT-UHFFFAOYSA-N	-1	1	300.322	2.432	10	5		DEBEMM
CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157230488	197172117	/nfs/dbraw/zinc/17/21/17/197172117.db2.gz	PDHVMCOKEOFIQE-VIFPVBQESA-N	-1	1	304.343	2.304	10	5		DEBEMM
CSCCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000128843964	684174064	/nfs/dbraw/zinc/17/40/64/684174064.db2.gz	YCYGQDVBLXGHGE-UHFFFAOYSA-N	-1	1	322.383	2.155	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)s1	ZINC000064241693	184293425	/nfs/dbraw/zinc/29/34/25/184293425.db2.gz	RGJKLKSLDOEYJU-UHFFFAOYSA-N	-1	1	304.374	2.196	10	5		DEBEMM
O=C([O-])[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F	ZINC000263072431	145322868	/nfs/dbraw/zinc/32/28/68/145322868.db2.gz	WSZLJADUIWEWEX-GHMZBOCLSA-N	-1	1	318.251	2.290	10	5		DEBEMM
CSCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000185974540	402394021	/nfs/dbraw/zinc/39/40/21/402394021.db2.gz	MPDUQOPXGHKIDX-UHFFFAOYSA-N	-1	1	324.449	2.468	10	5		DEBEMM
CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)n1	ZINC000195524189	402850713	/nfs/dbraw/zinc/85/07/13/402850713.db2.gz	VXFZTMZUXWOLKS-UHFFFAOYSA-N	-1	1	311.348	2.124	10	5		DEBEMM
CC(C)(C)O[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000148833806	186046535	/nfs/dbraw/zinc/04/65/35/186046535.db2.gz	UDCFCFLXBDJFSV-UHFFFAOYSA-N	-1	1	308.743	2.257	10	5		DEBEMM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)cc2F)n1	ZINC000191601560	225113431	/nfs/dbraw/zinc/11/34/31/225113431.db2.gz	XSLXUDBQMRYUQJ-UHFFFAOYSA-N	-1	1	314.223	2.481	10	5		DEBEMM
CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1[O-]	ZINC000556892032	405556826	/nfs/dbraw/zinc/55/68/26/405556826.db2.gz	GMAUNESBMYDZJD-UHFFFAOYSA-N	-1	1	301.258	2.150	10	5		DEBEMM
NN=c1nc[n-]c(Sc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040656862	183115011	/nfs/dbraw/zinc/11/50/11/183115011.db2.gz	FRACDUVOCXJTOW-UHFFFAOYSA-N	-1	1	314.330	2.370	10	5		DEBEMM
CC(=O)OCCOC(=O)c1cc([O-])c2cc([N+](=O)[O-])ccc2c1	ZINC000095937647	402034649	/nfs/dbraw/zinc/03/46/49/402034649.db2.gz	IWBOJBHTWANKJG-UHFFFAOYSA-N	-1	1	319.269	2.174	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1	ZINC000180818881	402627173	/nfs/dbraw/zinc/62/71/73/402627173.db2.gz	XNIVNEZDKPHKCV-UHFFFAOYSA-N	-1	1	324.362	2.212	10	5		DEBEMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1	ZINC000074859563	191373779	/nfs/dbraw/zinc/37/37/79/191373779.db2.gz	KTPTUMFCSZAVIY-UHFFFAOYSA-N	-1	1	318.314	2.043	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)s1	ZINC000186378748	402426694	/nfs/dbraw/zinc/42/66/94/402426694.db2.gz	HRQMMWYXMCRXKP-UHFFFAOYSA-N	-1	1	324.383	2.102	10	5		DEBEMM
O=C(Nc1cncc(Br)c1)c1ccc([N+](=O)[O-])[n-]1	ZINC000301705733	403667677	/nfs/dbraw/zinc/66/76/77/403667677.db2.gz	MKWRTOMNXFNHHF-UHFFFAOYSA-N	-1	1	311.095	2.333	10	5		DEBEMM
C[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])c1nn[n-]n1	ZINC000087834406	185232733	/nfs/dbraw/zinc/23/27/33/185232733.db2.gz	QNEIBPJPAJBJJA-YFKPBYRVSA-N	-1	1	313.115	2.044	10	5		DEBEMM
O=C(Nc1ccncc1Br)c1ccc([N+](=O)[O-])[n-]1	ZINC000147660214	186040959	/nfs/dbraw/zinc/04/09/59/186040959.db2.gz	SHWFNIHPQXVKKZ-UHFFFAOYSA-N	-1	1	311.095	2.333	10	5		DEBEMM
CC(C)(C)O[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000148799681	186046280	/nfs/dbraw/zinc/04/62/80/186046280.db2.gz	QGMOCYNWIBCBKE-UHFFFAOYSA-N	-1	1	308.743	2.257	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)s1	ZINC000194406876	424875833	/nfs/dbraw/zinc/87/58/33/424875833.db2.gz	KJYUOYLVEQXDOX-SNVBAGLBSA-N	-1	1	324.383	2.275	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)s1	ZINC000064245046	184293333	/nfs/dbraw/zinc/29/33/33/184293333.db2.gz	ASVPKNSQSIINBT-UHFFFAOYSA-N	-1	1	302.377	2.123	10	5		DEBEMM
C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079663	197325194	/nfs/dbraw/zinc/32/51/94/197325194.db2.gz	UHUCKEFWQLRTLZ-PHDIDXHHSA-N	-1	1	310.784	2.244	10	5		DEBEMM
CC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1	ZINC000175695750	648358733	/nfs/dbraw/zinc/35/87/33/648358733.db2.gz	YIWQBRXDCKDRLY-UHFFFAOYSA-N	-1	1	302.327	2.202	10	5		DEBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1	ZINC000193591146	145087206	/nfs/dbraw/zinc/08/72/06/145087206.db2.gz	WJBKVNHMEDCGRA-SNVBAGLBSA-N	-1	1	303.274	2.266	10	5		DEBEMM
O=C([O-])[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F	ZINC000263024349	145319157	/nfs/dbraw/zinc/31/91/57/145319157.db2.gz	REXBNVFKFIHSLH-GHMZBOCLSA-N	-1	1	318.251	2.290	10	5		DEBEMM
CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076298487	401789786	/nfs/dbraw/zinc/78/97/86/401789786.db2.gz	ASQKSBHBNXYPBK-SECBINFHSA-N	-1	1	322.408	2.140	10	5		DEBEMM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1	ZINC000157409520	197185163	/nfs/dbraw/zinc/18/51/63/197185163.db2.gz	AOBXMQOJKSJRSL-RXMQYKEDSA-N	-1	1	310.784	2.387	10	5		DEBEMM
CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157230621	197171360	/nfs/dbraw/zinc/17/13/60/197171360.db2.gz	PDHVMCOKEOFIQE-SECBINFHSA-N	-1	1	304.343	2.304	10	5		DEBEMM
C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1	ZINC000186758650	402462047	/nfs/dbraw/zinc/46/20/47/402462047.db2.gz	AXDMLLOBDMKSIH-SSDOTTSWSA-N	-1	1	323.255	2.465	10	5		DEBEMM
COc1cccc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1[N+](=O)[O-]	ZINC000436029640	405038321	/nfs/dbraw/zinc/03/83/21/405038321.db2.gz	YIQIIBPYRABBRZ-UHFFFAOYSA-N	-1	1	319.321	2.202	10	5		DEBEMM
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1	ZINC000094779989	193397472	/nfs/dbraw/zinc/39/74/72/193397472.db2.gz	YRYYURRKEAMMNW-UHFFFAOYSA-N	-1	1	311.294	2.238	10	5		DEBEMM
O=[N+]([O-])c1cccc2nc(S(=O)(=O)Cc3ccccc3)[n-]c21	ZINC000089195078	401938200	/nfs/dbraw/zinc/93/82/00/401938200.db2.gz	HKYFNUJPCLSRGR-UHFFFAOYSA-N	-1	1	317.326	2.445	10	5		DEBEMM
CC(C)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1	ZINC000175830968	402836341	/nfs/dbraw/zinc/83/63/41/402836341.db2.gz	DVLNYHAEXJWHIS-UHFFFAOYSA-N	-1	1	304.393	2.371	10	5		DEBEMM
CN(C)N=c1nc[n-]c(Nc2ccc(Cl)cn2)c1[N+](=O)[O-]	ZINC000040628688	183111083	/nfs/dbraw/zinc/11/10/83/183111083.db2.gz	JKKSAYUENSRXND-UHFFFAOYSA-N	-1	1	309.717	2.065	10	5		DEBEMM
COc1cc([O-])c2oc3cc(OC)c(OC)c(O)c3c(=O)c2c1	ZINC000014648866	401812662	/nfs/dbraw/zinc/81/26/62/401812662.db2.gz	SDGXLBRKMBXGEP-UHFFFAOYSA-N	-1	1	318.281	2.383	10	5		DEBEMM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000160859652	402362816	/nfs/dbraw/zinc/36/28/16/402362816.db2.gz	SERCLJKHLXZYQT-UHFFFAOYSA-N	-1	1	315.211	2.292	10	5		DEBEMM
O=C(N[C@H]1CCCC(F)(F)C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000488956777	406363850	/nfs/dbraw/zinc/36/38/50/406363850.db2.gz	ROFGZLXUKXRNBV-ZETCQYMHSA-N	-1	1	301.249	2.003	10	5		DEBEMM
CC(C)(C)O[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000148832688	186046238	/nfs/dbraw/zinc/04/62/38/186046238.db2.gz	LLPRDWIFROGCGX-UHFFFAOYSA-N	-1	1	308.743	2.257	10	5		DEBEMM
O=c1[n-]cnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040659856	183114859	/nfs/dbraw/zinc/11/48/59/183114859.db2.gz	HMYIWQDYFLZEKX-UHFFFAOYSA-N	-1	1	300.196	2.441	10	5		DEBEMM
Cc1ccccc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186747764	402462261	/nfs/dbraw/zinc/46/22/61/402462261.db2.gz	UUPGUTJDLOVIML-SNVBAGLBSA-N	-1	1	301.302	2.495	10	5		DEBEMM
CN(CCc1ccc(F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000187006920	402477846	/nfs/dbraw/zinc/47/78/46/402477846.db2.gz	LQTDLCGRJVQSNE-UHFFFAOYSA-N	-1	1	319.292	2.149	10	5		DEBEMM
Nc1cc(=O)[n-]c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1	ZINC000092001062	193139855	/nfs/dbraw/zinc/13/98/55/193139855.db2.gz	HGSHAVXHBTZCEU-UHFFFAOYSA-N	-1	1	312.738	2.206	10	5		DEBEMM
C/C=C/CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F	ZINC000161842383	197522913	/nfs/dbraw/zinc/52/29/13/197522913.db2.gz	KUJLOKHPQVPWAL-NSCUHMNNSA-N	-1	1	306.290	2.118	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1	ZINC000126437926	401694312	/nfs/dbraw/zinc/69/43/12/401694312.db2.gz	QWTXXWPENKSDAB-UHFFFAOYSA-N	-1	1	324.362	2.380	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1	ZINC000126533923	401698561	/nfs/dbraw/zinc/69/85/61/401698561.db2.gz	UUNMQDMEXBNKPT-UHFFFAOYSA-N	-1	1	324.362	2.380	10	5		DEBEMM
CC(C)CO[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000134150749	196366104	/nfs/dbraw/zinc/36/61/04/196366104.db2.gz	INFGBTXQDHQRIG-UHFFFAOYSA-N	-1	1	308.743	2.114	10	5		DEBEMM
CC(=O)c1ccc(Sc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1	ZINC000021516762	182277011	/nfs/dbraw/zinc/27/70/11/182277011.db2.gz	FLHIGQQNSLSRHM-UHFFFAOYSA-N	-1	1	305.315	2.340	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]1	ZINC000177750193	521380772	/nfs/dbraw/zinc/38/07/72/521380772.db2.gz	AGEKNRTWJYEEIX-UHFFFAOYSA-N	-1	1	324.362	2.380	10	5		DEBEMM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1F	ZINC000149021102	186046988	/nfs/dbraw/zinc/04/69/88/186046988.db2.gz	BWSDASGGSOINBI-UHFFFAOYSA-N	-1	1	312.278	2.240	10	5		DEBEMM
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188468290	200252042	/nfs/dbraw/zinc/25/20/42/200252042.db2.gz	DPKOCTGDBSPKBB-AAEUAGOBSA-N	-1	1	313.313	2.229	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)s1	ZINC000069042646	402212245	/nfs/dbraw/zinc/21/22/45/402212245.db2.gz	QPWLSTCXMGPHEP-VIFPVBQESA-N	-1	1	302.377	2.291	10	5		DEBEMM
O=c1[n-]cnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-]	ZINC000040648760	183113994	/nfs/dbraw/zinc/11/39/94/183113994.db2.gz	CVNATLJOFFEPQF-UHFFFAOYSA-N	-1	1	300.196	2.441	10	5		DEBEMM
CC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F	ZINC000451076587	406041209	/nfs/dbraw/zinc/04/12/09/406041209.db2.gz	AFTTXMXHCRATJN-JTQLQIEISA-N	-1	1	308.306	2.058	10	5		DEBEMM
CS[C@H](C)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000134250049	196373405	/nfs/dbraw/zinc/37/34/05/196373405.db2.gz	YPKPKIOYDJCFGD-MRVPVSSYSA-N	-1	1	322.383	2.154	10	5		DEBEMM
CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157424097	197185845	/nfs/dbraw/zinc/18/58/45/197185845.db2.gz	QRASTPHHTWXRNC-ZCFIWIBFSA-N	-1	1	310.784	2.387	10	5		DEBEMM
CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1	ZINC000345083519	404537544	/nfs/dbraw/zinc/53/75/44/404537544.db2.gz	GJZFVDYCLBFQGD-UHFFFAOYSA-N	-1	1	302.290	2.158	10	5		DEBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2CC2)sc1Cl	ZINC000157434817	197187258	/nfs/dbraw/zinc/18/72/58/197187258.db2.gz	NISSJCFJFWRCII-UHFFFAOYSA-N	-1	1	310.784	2.388	10	5		DEBEMM
CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000174069696	402725741	/nfs/dbraw/zinc/72/57/41/402725741.db2.gz	HORNPXUINRCRDX-QMMMGPOBSA-N	-1	1	324.449	2.466	10	5		DEBEMM
C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(C)CC1	ZINC000706194436	1082088293	/nfs/dbraw/zinc/08/82/93/1082088293.db2.gz	CBZZKFSAHAARKO-QMMMGPOBSA-N	-1	1	302.327	2.201	10	5		DEBEMM
Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(F)c2)cc1	ZINC000149016238	186046690	/nfs/dbraw/zinc/04/66/90/186046690.db2.gz	FKPSHCDHXMOCBP-UHFFFAOYSA-N	-1	1	311.294	2.117	10	5		DEBEMM
CCCc1cc(=O)[n-]c(Sc2cccc(N)c2[N+](=O)[O-])n1	ZINC000149546456	186051169	/nfs/dbraw/zinc/05/11/69/186051169.db2.gz	XCESAXFZDQEUKU-UHFFFAOYSA-N	-1	1	306.347	2.364	10	5		DEBEMM
Cn1nc2c3cc([N+](=O)[O-])cc(Br)c3[n-]cc-2c1=O	ZINC000072237348	191081070	/nfs/dbraw/zinc/08/10/70/191081070.db2.gz	LYBQXMDOGNIBIU-UHFFFAOYSA-N	-1	1	323.106	2.086	10	5		DEBEMM
CS[C@@H](C)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000134250026	196374135	/nfs/dbraw/zinc/37/41/35/196374135.db2.gz	YPKPKIOYDJCFGD-QMMMGPOBSA-N	-1	1	322.383	2.154	10	5		DEBEMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C	ZINC000112363165	651511542	/nfs/dbraw/zinc/51/15/42/651511542.db2.gz	IRLYDXZMIKXRDZ-MRVPVSSYSA-N	-1	1	304.343	2.447	10	5		DEBEMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nccn2c1	ZINC000610032904	361354684	/nfs/dbraw/zinc/35/46/84/361354684.db2.gz	UIQMHFSNJIAFFH-UHFFFAOYSA-N	-1	1	318.314	2.043	10	5		DEBEMM
CCOc1[n-]cnc(=NNc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-]	ZINC000040625066	183111096	/nfs/dbraw/zinc/11/10/96/183111096.db2.gz	CCUMQLISIHYYFZ-UHFFFAOYSA-N	-1	1	320.265	2.131	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2)s1	ZINC000064240293	184293304	/nfs/dbraw/zinc/29/33/04/184293304.db2.gz	IILWQPRNZLTICE-UHFFFAOYSA-N	-1	1	312.372	2.177	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)s1	ZINC000194406891	424875852	/nfs/dbraw/zinc/87/58/52/424875852.db2.gz	KJYUOYLVEQXDOX-JTQLQIEISA-N	-1	1	324.383	2.275	10	5		DEBEMM
C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1(C)CC1	ZINC000706194202	1082088260	/nfs/dbraw/zinc/08/82/60/1082088260.db2.gz	CBZZKFSAHAARKO-MRVPVSSYSA-N	-1	1	302.327	2.201	10	5		DEBEMM
COc1ccc(Cl)cc1Nc1[n-]cnc(=NN)c1[N+](=O)[O-]	ZINC000040589694	183105760	/nfs/dbraw/zinc/10/57/60/183105760.db2.gz	FYXDFSYINNOYKT-UHFFFAOYSA-N	-1	1	310.701	2.076	10	5		DEBEMM
COc1ccc(Oc2[n-]cnc(=NN(C)C)c2[N+](=O)[O-])cc1	ZINC000040629041	183110685	/nfs/dbraw/zinc/11/06/85/183110685.db2.gz	UKPJMBHTBUZJKS-UHFFFAOYSA-N	-1	1	305.294	2.074	10	5		DEBEMM
Nc1cc(=O)[n-]c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1	ZINC000041027067	183157644	/nfs/dbraw/zinc/15/76/44/183157644.db2.gz	VVQVXCLBKGKOBJ-UHFFFAOYSA-N	-1	1	312.738	2.206	10	5		DEBEMM
CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000076298470	401789937	/nfs/dbraw/zinc/78/99/37/401789937.db2.gz	ASQKSBHBNXYPBK-VIFPVBQESA-N	-1	1	322.408	2.140	10	5		DEBEMM
CC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(F)F	ZINC000451076588	406041685	/nfs/dbraw/zinc/04/16/85/406041685.db2.gz	AFTTXMXHCRATJN-SNVBAGLBSA-N	-1	1	308.306	2.058	10	5		DEBEMM
CNc1cc(CSc2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-]	ZINC000094778109	193396435	/nfs/dbraw/zinc/39/64/35/193396435.db2.gz	GJDRGEMGPMSUEN-UHFFFAOYSA-N	-1	1	306.347	2.321	10	5		DEBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1F	ZINC000021500736	182274666	/nfs/dbraw/zinc/27/46/66/182274666.db2.gz	ZQBDYICEGNVUKO-UHFFFAOYSA-N	-1	1	312.278	2.240	10	5		DEBEMM
Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl	ZINC000040825952	183137354	/nfs/dbraw/zinc/13/73/54/183137354.db2.gz	JUWORBAZAVZABJ-UHFFFAOYSA-N	-1	1	316.726	2.081	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)s1	ZINC000066000217	184384363	/nfs/dbraw/zinc/38/43/63/184384363.db2.gz	QULJSXZEBJUTNU-UHFFFAOYSA-N	-1	1	316.335	2.274	10	5		DEBEMM
CCOC(=O)c1n[n-]c2ccc(Br)c([N+](=O)[O-])c21	ZINC000089196835	401938218	/nfs/dbraw/zinc/93/82/18/401938218.db2.gz	BRZQNSAOSIFCGX-UHFFFAOYSA-N	-1	1	314.095	2.410	10	5		DEBEMM
CSC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173235862	636754617	/nfs/dbraw/zinc/75/46/17/636754617.db2.gz	UAOGMBCAQZWJHN-UHFFFAOYSA-N	-1	1	310.422	2.076	10	5		DEBEMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2CCC2)sc1Cl	ZINC000157408442	197185077	/nfs/dbraw/zinc/18/50/77/197185077.db2.gz	SPODWWXZGVOSKZ-UHFFFAOYSA-N	-1	1	310.784	2.388	10	5		DEBEMM
CSCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000128823624	401793669	/nfs/dbraw/zinc/79/36/69/401793669.db2.gz	QGIMUFSEKLVDPE-UHFFFAOYSA-N	-1	1	310.422	2.078	10	5		DEBEMM
CCCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000064241177	402118321	/nfs/dbraw/zinc/11/83/21/402118321.db2.gz	HZGRDZBIAZGCED-UHFFFAOYSA-N	-1	1	322.408	2.141	10	5		DEBEMM
CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000525351810	406486120	/nfs/dbraw/zinc/48/61/20/406486120.db2.gz	MAGKTUFVFRHPTP-UHFFFAOYSA-N	-1	1	318.289	2.055	10	5		DEBEMM
CCCn1cc([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cn1	ZINC000804510600	645784561	/nfs/dbraw/zinc/78/45/61/645784561.db2.gz	KKVMAEBKGIJIAR-UHFFFAOYSA-N	-1	1	319.321	2.435	10	5		DEBEMM
C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCS1	ZINC000126223922	402270263	/nfs/dbraw/zinc/27/02/63/402270263.db2.gz	NYWMOXBIAUPMLY-SNVBAGLBSA-N	-1	1	322.433	2.220	10	5		DEBEMM
CN(Cc1ccc(Cl)nc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000192794696	684457676	/nfs/dbraw/zinc/45/76/76/684457676.db2.gz	GYWYEUITGNEOCT-UHFFFAOYSA-N	-1	1	322.708	2.016	10	5		DEBEMM
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2[O-])n1	ZINC000138480791	282099442	/nfs/dbraw/zinc/09/94/42/282099442.db2.gz	HNGHUYSKGOEUJF-UHFFFAOYSA-N	-1	1	310.697	2.423	10	5		DEBEMM
CCNc1ncnc([N-]c2ccccc2C(=O)OC)c1[N+](=O)[O-]	ZINC000040596272	183107570	/nfs/dbraw/zinc/10/75/70/183107570.db2.gz	ASIADJBEJSZKLY-UHFFFAOYSA-N	-1	1	317.305	2.347	10	5		DEBEMM
O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000111646989	401719823	/nfs/dbraw/zinc/71/98/23/401719823.db2.gz	JMCJZJPRSZSKRY-AAEUAGOBSA-N	-1	1	313.313	2.229	10	5		DEBEMM
Cc1cccc2sc(Nc3nc[n-]c(=O)c3[N+](=O)[O-])nc21	ZINC000040650432	183114412	/nfs/dbraw/zinc/11/44/12/183114412.db2.gz	ICEWQGVATXCHOR-UHFFFAOYSA-N	-1	1	303.303	2.340	10	5		DEBEMM
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)[nH]n1	ZINC000157526364	197194327	/nfs/dbraw/zinc/19/43/27/197194327.db2.gz	QSCJPUZNOKCONC-UHFFFAOYSA-N	-1	1	322.755	2.142	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1	ZINC000126461069	401695117	/nfs/dbraw/zinc/69/51/17/401695117.db2.gz	JYEASMVNGQLQJC-UHFFFAOYSA-N	-1	1	316.364	2.133	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1	ZINC000126481852	401696158	/nfs/dbraw/zinc/69/61/58/401696158.db2.gz	YYGKQOYAQGLQRY-UHFFFAOYSA-N	-1	1	310.335	2.071	10	5		DEBEMM
COc1cc2c(=O)c3c(cc(O)c(OC)c3OC)oc2cc1[O-]	ZINC000014648880	401812953	/nfs/dbraw/zinc/81/29/53/401812953.db2.gz	CAFZLSJOANEDGR-UHFFFAOYSA-N	-1	1	318.281	2.383	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)s1	ZINC000069042648	402212175	/nfs/dbraw/zinc/21/21/75/402212175.db2.gz	QPWLSTCXMGPHEP-SECBINFHSA-N	-1	1	302.377	2.291	10	5		DEBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C(F)(F)F)C1	ZINC000193361490	296283385	/nfs/dbraw/zinc/28/33/85/296283385.db2.gz	OGXQUWWRJQRFOS-MRVPVSSYSA-N	-1	1	319.239	2.110	10	5		DEBEMM
CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000057485469	184039987	/nfs/dbraw/zinc/03/99/87/184039987.db2.gz	HJMUWEOIHAGSCZ-SNVBAGLBSA-N	-1	1	304.343	2.447	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccs2)s1	ZINC000064243292	184293214	/nfs/dbraw/zinc/29/32/14/184293214.db2.gz	AJJLXDXFFHPBCF-UHFFFAOYSA-N	-1	1	318.401	2.239	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2)s1	ZINC000066000503	184384303	/nfs/dbraw/zinc/38/43/03/184384303.db2.gz	WCULQJLCUVGSLQ-UHFFFAOYSA-N	-1	1	304.374	2.196	10	5		DEBEMM
O=C(NCCCc1cccc(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000109700511	402274637	/nfs/dbraw/zinc/27/46/37/402274637.db2.gz	GBNRDMVBWNTIFM-UHFFFAOYSA-N	-1	1	319.292	2.197	10	5		DEBEMM
Cc1ccc2cccc(Oc3[n-]cnc(=NN)c3[N+](=O)[O-])c2n1	ZINC000040618644	183109709	/nfs/dbraw/zinc/10/97/09/183109709.db2.gz	KWBWFZFNDBOJML-UHFFFAOYSA-N	-1	1	312.289	2.319	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)s1	ZINC000160143160	402337047	/nfs/dbraw/zinc/33/70/47/402337047.db2.gz	FNBYOROTLZBMDZ-UHFFFAOYSA-N	-1	1	302.377	2.125	10	5		DEBEMM
COC(=O)c1ccc([N+](=O)[O-])c(Sc2nccc(=O)[n-]2)c1	ZINC000134361173	196382143	/nfs/dbraw/zinc/38/21/43/196382143.db2.gz	DXTFMOZTFOAMOP-UHFFFAOYSA-N	-1	1	307.287	2.028	10	5		DEBEMM
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2[O-])cc1F	ZINC000149020902	186047026	/nfs/dbraw/zinc/04/70/26/186047026.db2.gz	NLWAVAYLHKQFKJ-UHFFFAOYSA-N	-1	1	312.278	2.240	10	5		DEBEMM
CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000181616056	356087850	/nfs/dbraw/zinc/08/78/50/356087850.db2.gz	QHNSWEKSINGQBA-ZETCQYMHSA-N	-1	1	310.422	2.076	10	5		DEBEMM
O=c1[n-]cnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588874	183105844	/nfs/dbraw/zinc/10/58/44/183105844.db2.gz	YOMOGFUQHWBGCI-UHFFFAOYSA-N	-1	1	300.196	2.441	10	5		DEBEMM
O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188468263	145012716	/nfs/dbraw/zinc/01/27/16/145012716.db2.gz	DPKOCTGDBSPKBB-DGCLKSJQSA-N	-1	1	313.313	2.229	10	5		DEBEMM
CSc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1	ZINC000194302490	402790890	/nfs/dbraw/zinc/79/08/90/402790890.db2.gz	ISTYKTPOLIMRSB-UHFFFAOYSA-N	-1	1	319.342	2.347	10	5		DEBEMM
COc1ccc2nc(Nc3nc[n-]c(=O)c3[N+](=O)[O-])sc2c1	ZINC000040657631	183114813	/nfs/dbraw/zinc/11/48/13/183114813.db2.gz	XPEAAOHPRNLKEC-UHFFFAOYSA-N	-1	1	319.302	2.040	10	5		DEBEMM
CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nccs1	ZINC000185702763	207367101	/nfs/dbraw/zinc/36/71/01/207367101.db2.gz	VFLWERCFNVDITI-QMMMGPOBSA-N	-1	1	308.319	2.033	10	5		DEBEMM
O=C(NC[C@H]1C[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188468242	145012827	/nfs/dbraw/zinc/01/28/27/145012827.db2.gz	DPKOCTGDBSPKBB-YPMHNXCESA-N	-1	1	313.313	2.229	10	5		DEBEMM
Cc1cnccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	ZINC000131225881	196151762	/nfs/dbraw/zinc/15/17/62/196151762.db2.gz	FNKAFMQBSMRVFW-UHFFFAOYSA-N	-1	1	311.294	2.238	10	5		DEBEMM
Cc1nc(N)sc1C(=O)[N-]c1c(F)cc(F)cc1[N+](=O)[O-]	ZINC000132545579	196264797	/nfs/dbraw/zinc/26/47/97/196264797.db2.gz	PVPARWYKSQWTEH-UHFFFAOYSA-N	-1	1	314.273	2.472	10	5		DEBEMM
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](c3n[n-]c(=O)o3)C2)n1	ZINC000585702005	357347321	/nfs/dbraw/zinc/34/73/21/357347321.db2.gz	ZTMIRMNSFRLHQI-JTQLQIEISA-N	-1	1	319.321	2.079	10	5		DEBEMM
CN(C)N=c1nc[n-]c(Nc2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040629033	183110558	/nfs/dbraw/zinc/11/05/58/183110558.db2.gz	BWTKHDXWVDXXTM-UHFFFAOYSA-N	-1	1	309.717	2.065	10	5		DEBEMM
Nc1cc(=O)[n-]c(SCc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000041027068	183157819	/nfs/dbraw/zinc/15/78/19/183157819.db2.gz	ZQCFRKZWTXWGMR-UHFFFAOYSA-N	-1	1	312.738	2.206	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCC2)s1	ZINC000159071662	197324507	/nfs/dbraw/zinc/32/45/07/197324507.db2.gz	PSZYQZNRAXXLAQ-UHFFFAOYSA-N	-1	1	302.377	2.435	10	5		DEBEMM
CSC[C@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157196450	197169306	/nfs/dbraw/zinc/16/93/06/197169306.db2.gz	DSWVCABJTFNIHC-MRVPVSSYSA-N	-1	1	322.383	2.011	10	5		DEBEMM
O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1nnc(Cl)s1	ZINC000159768141	197362631	/nfs/dbraw/zinc/36/26/31/197362631.db2.gz	YEDRREPYSRVSTL-UHFFFAOYSA-N	-1	1	302.674	2.491	10	5		DEBEMM
CCCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1	ZINC000228375780	356281382	/nfs/dbraw/zinc/28/13/82/356281382.db2.gz	LIHYAMAKXBAOAL-UHFFFAOYSA-N	-1	1	310.335	2.071	10	5		DEBEMM
CCCc1cc(=O)[n-]c(Sc2cc(N)cc([N+](=O)[O-])c2)n1	ZINC000149544751	186051026	/nfs/dbraw/zinc/05/10/26/186051026.db2.gz	FNRHSTCCQDDCTF-UHFFFAOYSA-N	-1	1	306.347	2.364	10	5		DEBEMM
O=c1[n-]cnc(Nc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000040659838	183114987	/nfs/dbraw/zinc/11/49/87/183114987.db2.gz	BPCZRZKINIRDSO-UHFFFAOYSA-N	-1	1	311.095	2.184	10	5		DEBEMM
CN(C)N=c1nc[n-]c(Nc2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040628964	183110735	/nfs/dbraw/zinc/11/07/35/183110735.db2.gz	JKXRUERBYKKWDU-UHFFFAOYSA-N	-1	1	310.264	2.295	10	5		DEBEMM
COc1ccccc1Nc1[n-]cnc(=NN(C)C)c1[N+](=O)[O-]	ZINC000040628715	183110852	/nfs/dbraw/zinc/11/08/52/183110852.db2.gz	JOIQEXODHNJAMK-UHFFFAOYSA-N	-1	1	304.310	2.026	10	5		DEBEMM
CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nccs1	ZINC000185702784	207367770	/nfs/dbraw/zinc/36/77/70/207367770.db2.gz	VFLWERCFNVDITI-MRVPVSSYSA-N	-1	1	308.319	2.033	10	5		DEBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1	ZINC000193591132	145087172	/nfs/dbraw/zinc/08/71/72/145087172.db2.gz	WJBKVNHMEDCGRA-JTQLQIEISA-N	-1	1	303.274	2.266	10	5		DEBEMM
O=C(Nc1ncccc1Br)c1ccc([N+](=O)[O-])[n-]1	ZINC000088447724	185251302	/nfs/dbraw/zinc/25/13/02/185251302.db2.gz	XFDIRSMMHKONNB-UHFFFAOYSA-N	-1	1	311.095	2.333	10	5		DEBEMM
COc1ccc2oc3c(OC)c([O-])c(OC)c(O)c3c(=O)c2c1	ZINC000014648842	290904490	/nfs/dbraw/zinc/90/44/90/290904490.db2.gz	DDZOJPRABMAJAZ-UHFFFAOYSA-N	-1	1	318.281	2.383	10	5	biogenic,in-vitro	DEBEMM
Cc1ccc2nc(Nc3nc[n-]c(=O)c3[N+](=O)[O-])sc2c1	ZINC000040650531	183114078	/nfs/dbraw/zinc/11/40/78/183114078.db2.gz	GVBMLYSQWVNTNU-UHFFFAOYSA-N	-1	1	303.303	2.340	10	5		DEBEMM
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)ccc1[N+](=O)[O-]	ZINC000043571939	183372789	/nfs/dbraw/zinc/37/27/89/183372789.db2.gz	QMPLODGXDUMDMB-UHFFFAOYSA-N	-1	1	307.331	2.286	10	5		DEBEMM
Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1	ZINC000585702006	357346848	/nfs/dbraw/zinc/34/68/48/357346848.db2.gz	ZTMIRMNSFRLHQI-SNVBAGLBSA-N	-1	1	319.321	2.079	10	5		DEBEMM
O=c1[n-]cnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]	ZINC000040659849	183114893	/nfs/dbraw/zinc/11/48/93/183114893.db2.gz	DEZPVYNCCMRTHG-UHFFFAOYSA-N	-1	1	323.312	2.411	10	5		DEBEMM
CN(Cc1ccc(F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186756149	402462267	/nfs/dbraw/zinc/46/22/67/402462267.db2.gz	JJNCFEGRIHUOQB-UHFFFAOYSA-N	-1	1	305.265	2.107	10	5		DEBEMM
O=C(N[C@@H]1CCCC(F)(F)C1)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000488956776	406364131	/nfs/dbraw/zinc/36/41/31/406364131.db2.gz	ROFGZLXUKXRNBV-SSDOTTSWSA-N	-1	1	301.249	2.003	10	5		DEBEMM
CSC[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000157196290	197169214	/nfs/dbraw/zinc/16/92/14/197169214.db2.gz	DSWVCABJTFNIHC-QMMMGPOBSA-N	-1	1	322.383	2.011	10	5		DEBEMM
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1	ZINC000193361472	280227893	/nfs/dbraw/zinc/22/78/93/280227893.db2.gz	OGXQUWWRJQRFOS-QMMMGPOBSA-N	-1	1	319.239	2.110	10	5		DEBEMM
CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C	ZINC000057485468	184040132	/nfs/dbraw/zinc/04/01/32/184040132.db2.gz	HJMUWEOIHAGSCZ-JTQLQIEISA-N	-1	1	304.343	2.447	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2F)s1	ZINC000064241888	184293221	/nfs/dbraw/zinc/29/32/21/184293221.db2.gz	GYCIGUFAWLHEBZ-UHFFFAOYSA-N	-1	1	316.335	2.274	10	5		DEBEMM
CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000157423946	197186242	/nfs/dbraw/zinc/18/62/42/197186242.db2.gz	QRASTPHHTWXRNC-LURJTMIESA-N	-1	1	310.784	2.387	10	5		DEBEMM
CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1	ZINC000194008780	533511141	/nfs/dbraw/zinc/51/11/41/533511141.db2.gz	HTOHKDPGIJRDNO-UHFFFAOYSA-N	-1	1	322.433	2.220	10	5		DEBEMM
CSc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1	ZINC000191045927	532956077	/nfs/dbraw/zinc/95/60/77/532956077.db2.gz	KIMYUIWZIZAAGI-UHFFFAOYSA-N	-1	1	319.342	2.347	10	5		DEBEMM
O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000188468312	145012980	/nfs/dbraw/zinc/01/29/80/145012980.db2.gz	DPKOCTGDBSPKBB-WCQYABFASA-N	-1	1	313.313	2.229	10	5		DEBEMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1	ZINC000610032585	361354313	/nfs/dbraw/zinc/35/43/13/361354313.db2.gz	LHQXEVHHVPAGEX-UHFFFAOYSA-N	-1	1	318.314	2.043	10	5		DEBEMM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000043511940	183369369	/nfs/dbraw/zinc/36/93/69/183369369.db2.gz	IAFUAHYLQLZBJT-UHFFFAOYSA-N	-1	1	307.331	2.286	10	5		DEBEMM
C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079928	197325639	/nfs/dbraw/zinc/32/56/39/197325639.db2.gz	UHUCKEFWQLRTLZ-RITPCOANSA-N	-1	1	310.784	2.244	10	5		DEBEMM
Cc1ccccc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000186747783	402462239	/nfs/dbraw/zinc/46/22/39/402462239.db2.gz	UUPGUTJDLOVIML-JTQLQIEISA-N	-1	1	301.302	2.495	10	5		DEBEMM
Cc1cc(N)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1	ZINC000094780703	193397741	/nfs/dbraw/zinc/39/77/41/193397741.db2.gz	ICLKYJMVOLFGCI-UHFFFAOYSA-N	-1	1	313.360	2.348	10	5		DEBEMM
C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000159079795	197325956	/nfs/dbraw/zinc/32/59/56/197325956.db2.gz	UHUCKEFWQLRTLZ-NTSWFWBYSA-N	-1	1	310.784	2.244	10	5		DEBEMM
COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000173517138	402700454	/nfs/dbraw/zinc/70/04/54/402700454.db2.gz	BODVUGYZWFXCTK-MRVPVSSYSA-N	-1	1	322.408	2.138	10	5		DEBEMM
C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCS1	ZINC000126224111	402270216	/nfs/dbraw/zinc/27/02/16/402270216.db2.gz	NYWMOXBIAUPMLY-JTQLQIEISA-N	-1	1	322.433	2.220	10	5		DEBEMM