smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3ccc([N+](=O)[O-])cc3C)[n+]2[O-])cc1	ZINC000016282765	204593315	/nfs/dbraw/zinc/59/33/15/204593315.db2.gz	QFJGNKGFRGRABT-UHFFFAOYSA-N	-1	0	386.324	2.383	50	5		GEBARM
O=C([O-])CSc1nc2ccccc2c2nc(=O)c(Cc3ccccc3)nn12	ZINC000036390451	205016288	/nfs/dbraw/zinc/01/62/88/205016288.db2.gz	QJWNUEGNOZOCMB-UHFFFAOYSA-N	-1	0	378.413	2.405	50	5		GEBARM
COc1ccc(OCC(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000035867450	570466677	/nfs/dbraw/zinc/46/66/77/570466677.db2.gz	WKJJYEWNPVFSMB-UHFFFAOYSA-N	-1	0	377.378	2.201	50	5		GEBARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000101396085	570821708	/nfs/dbraw/zinc/82/17/08/570821708.db2.gz	FHRZJNYDOUBDNC-AWEZNQCLSA-N	-1	0	399.407	2.094	50	5		GEBARM
O=C([O-])CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000001833439	203921598	/nfs/dbraw/zinc/92/15/98/203921598.db2.gz	PLNMOTFIFXNDCH-GHRIWEEISA-N	-1	0	397.387	2.347	50	5		GEBARM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005041477	204105966	/nfs/dbraw/zinc/10/59/66/204105966.db2.gz	BIRUOPIRVCFVMJ-UHFFFAOYSA-N	-1	0	393.421	2.080	50	5		GEBARM
CCONC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000008706638	204284147	/nfs/dbraw/zinc/28/41/47/204284147.db2.gz	RPBVGONGNPONMD-UHFFFAOYSA-N	-1	0	379.394	2.385	50	5		GEBARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000036833135	205021115	/nfs/dbraw/zinc/02/11/15/205021115.db2.gz	LSIXEMGNHOMBNN-UHFFFAOYSA-N	-1	0	385.423	2.076	50	5		GEBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c1C	ZINC000036833151	205021647	/nfs/dbraw/zinc/02/16/47/205021647.db2.gz	PKNMKVDMBRJYJZ-UHFFFAOYSA-N	-1	0	399.450	2.384	50	5		GEBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000035686002	570417134	/nfs/dbraw/zinc/41/71/34/570417134.db2.gz	BKKMBBYOWJSVNK-MRXNPFEDSA-N	-1	0	389.389	2.050	50	5		GEBARM
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O	ZINC000018082928	570799155	/nfs/dbraw/zinc/79/91/55/570799155.db2.gz	JZHLYFJDIGARKY-HOCLYGCPSA-N	-1	0	396.315	2.104	50	5		GEBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1O	ZINC000009295532	204305348	/nfs/dbraw/zinc/30/53/48/204305348.db2.gz	MUIXXXNIBQFUNR-NSCUHMNNSA-N	-1	0	384.142	2.031	50	5		GEBARM
CCN(CC)c1ccc2nc3c(=O)n(Cc4ccccc4)c(=O)nc-3[n-]c2c1	ZINC000009668617	204319833	/nfs/dbraw/zinc/31/98/33/204319833.db2.gz	ZKFJHIBYPZSKLX-UHFFFAOYSA-N	-1	0	375.432	2.479	50	5		GEBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OC	ZINC000004694359	204065252	/nfs/dbraw/zinc/06/52/52/204065252.db2.gz	CRYUKTOYWWHZJZ-ONEGZZNKSA-N	-1	0	398.169	2.334	50	5		GEBARM
CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036230630	221848684	/nfs/dbraw/zinc/84/86/84/221848684.db2.gz	AYZORGOQPFBWJA-OQLLNIDSSA-N	-1	0	383.385	2.469	50	5		GEBARM
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)nc2sccn2c1=O	ZINC000016282753	570321998	/nfs/dbraw/zinc/32/19/98/570321998.db2.gz	DGWQOFKJKSUHIP-UHFFFAOYSA-N	-1	0	380.407	2.082	50	5		GEBARM
CCOC(=O)c1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])cc1	ZINC000016400928	570380188	/nfs/dbraw/zinc/38/01/88/570380188.db2.gz	BYADIDJPBCFZFT-UHFFFAOYSA-N	-1	0	399.363	2.343	50	5		GEBARM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000016349632	570922877	/nfs/dbraw/zinc/92/28/77/570922877.db2.gz	NQLTZJHRADGEBQ-ZSOIEALJSA-N	-1	0	396.359	2.140	50	5		GEBARM
COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000033911475	206100832	/nfs/dbraw/zinc/10/08/32/206100832.db2.gz	PQVYCYOLUNYRNV-CQSZACIVSA-N	-1	0	389.368	2.141	50	5		GEBARM
Cc1ccc(S(=O)(=O)n2cc(C(=O)c3ccccc3[O-])cn2)cc1[N+](=O)[O-]	ZINC000014169303	570294356	/nfs/dbraw/zinc/29/43/56/570294356.db2.gz	JXVJMRAKDHBABI-UHFFFAOYSA-N	-1	0	387.373	2.273	50	5		GEBARM
CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035817450	570457021	/nfs/dbraw/zinc/45/70/21/570457021.db2.gz	PQKSKKAGSZGNSW-RTHLEPHNSA-N	-1	0	379.369	2.279	50	5		GEBARM
CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000013546568	570654366	/nfs/dbraw/zinc/65/43/66/570654366.db2.gz	JOWAMYZNAPXGHT-KPKJPENVSA-N	-1	0	396.377	2.299	50	5		GEBARM
COC(=O)c1cccc(OC)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000170602166	570861725	/nfs/dbraw/zinc/86/17/25/570861725.db2.gz	DEUJFLBIQSLFKB-UHFFFAOYSA-N	-1	0	380.378	2.499	50	5		GEBARM
O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003319102	203997500	/nfs/dbraw/zinc/99/75/00/203997500.db2.gz	ZIGPOBPABDVHLT-CYBMUJFWSA-N	-1	0	384.797	2.222	50	5		GEBARM
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000004690123	204064296	/nfs/dbraw/zinc/06/42/96/204064296.db2.gz	IOHOZASCINVWTA-OAHLLOKOSA-N	-1	0	380.378	2.098	50	5		GEBARM
Cc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])cc1F	ZINC000005005436	204102495	/nfs/dbraw/zinc/10/24/95/204102495.db2.gz	KYORPJQRANOBDM-UHFFFAOYSA-N	-1	0	387.327	2.376	50	5		GEBARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000035608241	570401537	/nfs/dbraw/zinc/40/15/37/570401537.db2.gz	RJDJOIIHJYOLGG-AWEZNQCLSA-N	-1	0	379.369	2.136	50	5		GEBARM
CCOc1cc([N+](=O)[O-])cc(/C=c2/sc3nc4ccccc4n3c2=O)c1[O-]	ZINC000013546789	570654264	/nfs/dbraw/zinc/65/42/64/570654264.db2.gz	OSKODLUCUAIYIU-OVCLIPMQSA-N	-1	0	383.385	2.469	50	5		GEBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NS(C)(=O)=O	ZINC000036833126	570818854	/nfs/dbraw/zinc/81/88/54/570818854.db2.gz	GVCNKORRSBDBJE-UHFFFAOYSA-N	-1	0	385.423	2.076	50	5		GEBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(Br)cc1O	ZINC000009234818	204303596	/nfs/dbraw/zinc/30/35/96/204303596.db2.gz	JERXKUPKSMSUFA-NSCUHMNNSA-N	-1	0	384.142	2.031	50	5		GEBARM
CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036180241	205008690	/nfs/dbraw/zinc/00/86/90/205008690.db2.gz	NVAWARAAFFCIHB-OTIXFSKASA-N	-1	0	396.377	2.297	50	5		GEBARM
CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000034718121	570787589	/nfs/dbraw/zinc/78/75/89/570787589.db2.gz	SCZUUIVQFWJNRP-CQSZACIVSA-N	-1	0	379.369	2.280	50	5		GEBARM
CSc1ccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-]	ZINC000018023001	570794901	/nfs/dbraw/zinc/79/49/01/570794901.db2.gz	JGSNZKWVPMYRNB-UHFFFAOYSA-N	-1	0	392.437	2.462	50	5		GEBARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000012520870	570827446	/nfs/dbraw/zinc/82/74/46/570827446.db2.gz	WRPFISYGCJMQQR-UHFFFAOYSA-N	-1	0	399.450	2.084	50	5		GEBARM
O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c(=O)cccc43)[C@H]12	ZINC000409414618	231204049	/nfs/dbraw/zinc/20/40/49/231204049.db2.gz	YUEJFTLURJVZMA-DZDCQFRTSA-N	-1	0	381.388	2.006	50	5		GEBARM
O=C([O-])CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005273777	204122971	/nfs/dbraw/zinc/12/29/71/204122971.db2.gz	KNBLWBFJHZHYFG-MRXNPFEDSA-N	-1	0	385.376	2.126	50	5		GEBARM
C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3[N+](=O)[O-])cc2NC1=O	ZINC000028810702	204882108	/nfs/dbraw/zinc/88/21/08/204882108.db2.gz	CCFYLVCCGUTPHK-MRVPVSSYSA-N	-1	0	381.341	2.254	50	5		GEBARM
CC(C)(C)OC(=O)N[C@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000095495930	205469158	/nfs/dbraw/zinc/46/91/58/205469158.db2.gz	QUKMUFMHGRNDHI-LLVKDONJSA-N	-1	0	384.345	2.283	50	5		GEBARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000035812705	570457186	/nfs/dbraw/zinc/45/71/86/570457186.db2.gz	IPUHVMKVNHLPHM-AWEZNQCLSA-N	-1	0	379.369	2.279	50	5		GEBARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000101762226	570832665	/nfs/dbraw/zinc/83/26/65/570832665.db2.gz	HGWMLXWRSWUHOC-CQSZACIVSA-N	-1	0	399.407	2.094	50	5		GEBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCC1	ZINC000000819378	206323783	/nfs/dbraw/zinc/32/37/83/206323783.db2.gz	NCYUSKIMODGCQC-INIZCTEOSA-N	-1	0	389.795	2.456	50	5		GEBARM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)cc1NC(C)=O	ZINC000009509286	206330081	/nfs/dbraw/zinc/33/00/81/206330081.db2.gz	IGHNGLUEBYMDAI-UHFFFAOYSA-N	-1	0	381.366	2.068	50	5		GEBARM
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)cc(I)c1[O-]	ZINC000094986261	208150032	/nfs/dbraw/zinc/15/00/32/208150032.db2.gz	NIJPXLWMFISSAN-UHFFFAOYSA-N	-1	0	397.068	2.199	50	5		GEBARM
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000000753055	570313125	/nfs/dbraw/zinc/31/31/25/570313125.db2.gz	KIHRLALDNBNZPX-UHFFFAOYSA-N	-1	0	396.359	2.343	50	5		GEBARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000035340460	570342953	/nfs/dbraw/zinc/34/29/53/570342953.db2.gz	OOAQYTXVEPRGTN-VQLBTBKJSA-N	-1	0	396.377	2.297	50	5		GEBARM
O=[N+]([O-])C(=CNc1ncccn1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	ZINC000005670080	570450472	/nfs/dbraw/zinc/45/04/72/570450472.db2.gz	NFCLWLOJZRJOFG-FLIBITNWSA-N	-1	0	390.299	2.337	50	5		GEBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1O	ZINC000004719477	570857048	/nfs/dbraw/zinc/85/70/48/570857048.db2.gz	WDVLEOJQXOYKOG-NSCUHMNNSA-N	-1	0	384.142	2.031	50	5		GEBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnn(COCC(F)(F)F)c2)cc1	ZINC000002803794	531505051	/nfs/dbraw/zinc/50/50/51/531505051.db2.gz	SLWUTXXXQDOUNA-UHFFFAOYSA-N	-1	0	380.304	2.129	50	5		GEBARM
O=[N+]([O-])c1cc(S(=O)(=O)NN=c2ccc(C(F)(F)F)c[nH]2)ccc1[O-]	ZINC000012558019	531552407	/nfs/dbraw/zinc/55/24/07/531552407.db2.gz	DLQJUCGOKWYBSC-UHFFFAOYSA-N	-1	0	378.288	2.020	50	5		GEBARM
Cc1c(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000001065668	206348508	/nfs/dbraw/zinc/34/85/08/206348508.db2.gz	MSVJJPMPZLXGAJ-UHFFFAOYSA-N	-1	0	396.359	2.343	50	5		GEBARM
COC(=O)[C@]([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(NC(C)=O)C(F)(F)F	ZINC000002050403	206396281	/nfs/dbraw/zinc/39/62/81/206396281.db2.gz	SNELLIBMYLTTDE-GFCCVEGCSA-N	-1	0	392.315	2.184	50	5		GEBARM
O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c(=O)cccc43)[C@@H]12	ZINC000008997282	206770508	/nfs/dbraw/zinc/77/05/08/206770508.db2.gz	YUEJFTLURJVZMA-XXZHDZSNSA-N	-1	0	381.388	2.006	50	5		GEBARM
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035817440	570457266	/nfs/dbraw/zinc/45/72/66/570457266.db2.gz	PQKSKKAGSZGNSW-XLKFXECMSA-N	-1	0	379.369	2.279	50	5		GEBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)O	ZINC000036274710	570591709	/nfs/dbraw/zinc/59/17/09/570591709.db2.gz	LYHZUDYXLJFBIU-NSHDSACASA-N	-1	0	381.410	2.197	50	5		GEBARM
COc1ccc(NC(=O)CNc2ccc([N+](=O)[O-])cc2OCC(=O)[O-])cc1	ZINC000004759657	570963927	/nfs/dbraw/zinc/96/39/27/570963927.db2.gz	VSOWNQKZWCBGNX-UHFFFAOYSA-N	-1	0	375.337	2.117	50	5		GEBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)cc1	ZINC000003338239	642322361	/nfs/dbraw/zinc/32/23/61/642322361.db2.gz	BWCPLJOJGHZHNA-UHFFFAOYSA-N	-1	0	392.361	2.392	50	5		GEBARM
CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br	ZINC000072310847	531917644	/nfs/dbraw/zinc/91/76/44/531917644.db2.gz	WRWGAJNQKIPYOZ-ZETCQYMHSA-N	-1	0	394.247	2.181	50	5		GEBARM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O	ZINC000101034394	208385942	/nfs/dbraw/zinc/38/59/42/208385942.db2.gz	PNCQIGDHZKWVGG-ZBFHGGJFSA-N	-1	0	396.315	2.104	50	5		GEBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3)n2)c1	ZINC000006373294	220931421	/nfs/dbraw/zinc/93/14/21/220931421.db2.gz	OFOPWMAEIVRNDN-UHFFFAOYSA-N	-1	0	377.357	2.175	50	5		GEBARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000035608231	570401511	/nfs/dbraw/zinc/40/15/11/570401511.db2.gz	QOMAINVCEJVRIL-OAHLLOKOSA-N	-1	0	391.380	2.423	50	5		GEBARM
COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000006444641	570423723	/nfs/dbraw/zinc/42/37/23/570423723.db2.gz	XEJOAPYQLZDCBX-UHFFFAOYSA-N	-1	0	382.354	2.242	50	5		GEBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)O	ZINC000036274712	570591531	/nfs/dbraw/zinc/59/15/31/570591531.db2.gz	LYHZUDYXLJFBIU-LLVKDONJSA-N	-1	0	381.410	2.197	50	5		GEBARM
CC[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004535015	570846501	/nfs/dbraw/zinc/84/65/01/570846501.db2.gz	OCCGAGPFOGOGFG-QRYYFKOISA-N	-1	0	397.387	2.345	50	5		GEBARM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003319101	642322432	/nfs/dbraw/zinc/32/24/32/642322432.db2.gz	ZIGPOBPABDVHLT-ZDUSSCGKSA-N	-1	0	384.797	2.222	50	5		GEBARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(I)c2)[nH]1	ZINC000004180416	531510020	/nfs/dbraw/zinc/51/00/20/531510020.db2.gz	LPEMWCDNPZVDGN-SNAWJCMRSA-N	-1	0	385.117	2.159	50	5		GEBARM
O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000040161596	207359706	/nfs/dbraw/zinc/35/97/06/207359706.db2.gz	RDQRIDOWJSQMBI-UHFFFAOYSA-N	-1	0	377.378	2.228	50	5		GEBARM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)c1	ZINC000025453980	207304157	/nfs/dbraw/zinc/30/41/57/207304157.db2.gz	KUNDFTVGAPRFRF-UHFFFAOYSA-N	-1	0	380.378	2.499	50	5		GEBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1	ZINC000096012455	208253889	/nfs/dbraw/zinc/25/38/89/208253889.db2.gz	LBQFUTSLHKWBGQ-PKOBYXMFSA-N	-1	0	383.404	2.026	50	5		GEBARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@H](c2cccc([N+](=O)[O-])c2)C1	ZINC000101762222	208399270	/nfs/dbraw/zinc/39/92/70/208399270.db2.gz	HGWMLXWRSWUHOC-AWEZNQCLSA-N	-1	0	399.407	2.094	50	5		GEBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)c1	ZINC000006373291	220931816	/nfs/dbraw/zinc/93/18/16/220931816.db2.gz	OZHWBMGGFGDHIQ-UHFFFAOYSA-N	-1	0	377.357	2.175	50	5		GEBARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])c1	ZINC000048273894	570225996	/nfs/dbraw/zinc/22/59/96/570225996.db2.gz	GRKLOGVAMZDQQX-UHFFFAOYSA-N	-1	0	391.405	2.296	50	5		GEBARM
CCOC(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000012486242	570821461	/nfs/dbraw/zinc/82/14/61/570821461.db2.gz	MVDHJFWHVDBWQM-UHFFFAOYSA-N	-1	0	382.329	2.234	50	5		GEBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(O)CC3)c([O-])n2n1	ZINC000023157585	570920288	/nfs/dbraw/zinc/92/02/88/570920288.db2.gz	LOFPMLHCPXRQNQ-AWEZNQCLSA-N	-1	0	389.437	2.259	50	5		GEBARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc([N+](=O)[O-])c1[O-]	ZINC000035608229	570401453	/nfs/dbraw/zinc/40/14/53/570401453.db2.gz	QOMAINVCEJVRIL-HNNXBMFYSA-N	-1	0	391.380	2.423	50	5		GEBARM
CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000035948771	570481944	/nfs/dbraw/zinc/48/19/44/570481944.db2.gz	AOPGUOHPNHCGPW-AWEZNQCLSA-N	-1	0	381.410	2.225	50	5		GEBARM
CC[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000004535014	570846530	/nfs/dbraw/zinc/84/65/30/570846530.db2.gz	OCCGAGPFOGOGFG-WLSWZUKCSA-N	-1	0	397.387	2.345	50	5		GEBARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000012800297	531556559	/nfs/dbraw/zinc/55/65/59/531556559.db2.gz	LHIXBJQEYMHAMG-UHFFFAOYSA-N	-1	0	390.826	2.453	50	5		GEBARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000002381057	206412696	/nfs/dbraw/zinc/41/26/96/206412696.db2.gz	QESMZPRAFIQREP-UHFFFAOYSA-N	-1	0	399.388	2.438	50	5		GEBARM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000016264885	207074744	/nfs/dbraw/zinc/07/47/44/207074744.db2.gz	DMCTUPFRYLWRLR-UHFFFAOYSA-N	-1	0	380.407	2.082	50	5		GEBARM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2	ZINC000089575516	208106254	/nfs/dbraw/zinc/10/62/54/208106254.db2.gz	QDVIITQZSDCMQD-SECBINFHSA-N	-1	0	393.377	2.129	50	5		GEBARM
COC(=O)c1sc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1C	ZINC000095452955	208183475	/nfs/dbraw/zinc/18/34/75/208183475.db2.gz	FBXOZRXHWGAPEE-UHFFFAOYSA-N	-1	0	385.423	2.131	50	5		GEBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1	ZINC000096012454	208253854	/nfs/dbraw/zinc/25/38/54/208253854.db2.gz	LBQFUTSLHKWBGQ-HKUYNNGSSA-N	-1	0	383.404	2.026	50	5		GEBARM
CSC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21)C(=O)[O-]	ZINC000002123873	570956670	/nfs/dbraw/zinc/95/66/70/570956670.db2.gz	STJXTOCYHXHJNI-HNNXBMFYSA-N	-1	0	387.413	2.257	50	5		GEBARM
CCOc1ccc(-n2c3cc4c(cc3cc3c(=O)[n-]c(=O)nc2-3)OCO4)cc1	ZINC000001133908	206357101	/nfs/dbraw/zinc/35/71/01/206357101.db2.gz	KDVSQQPUUCROSZ-UHFFFAOYSA-N	-1	0	377.356	2.306	50	5		GEBARM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1O	ZINC000013847651	207002500	/nfs/dbraw/zinc/00/25/00/207002500.db2.gz	MUIXXXNIBQFUNR-IHWYPQMZSA-N	-1	0	384.142	2.031	50	5		GEBARM
CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c([O-])c([N+](=O)[O-])c1	ZINC000034718123	570787471	/nfs/dbraw/zinc/78/74/71/570787471.db2.gz	SCZUUIVQFWJNRP-AWEZNQCLSA-N	-1	0	379.369	2.280	50	5		GEBARM
CCS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)o2)cc1	ZINC000036674884	570788005	/nfs/dbraw/zinc/78/80/05/570788005.db2.gz	JGCHZXIIWXKJRM-UHFFFAOYSA-N	-1	0	392.349	2.284	50	5		GEBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000108392401	570988401	/nfs/dbraw/zinc/98/84/01/570988401.db2.gz	LBQFUTSLHKWBGQ-MJGOQNOKSA-N	-1	0	383.404	2.026	50	5		GEBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3F)n2)c1	ZINC000017077148	210201957	/nfs/dbraw/zinc/20/19/57/210201957.db2.gz	QGZMHJKOFFEQPG-UHFFFAOYSA-N	-1	0	377.357	2.175	50	5		GEBARM
COC(=O)[C@@]([N-]c1nc2ccc([N+](=O)[O-])cc2s1)(NC(C)=O)C(F)(F)F	ZINC000002050404	209343195	/nfs/dbraw/zinc/34/31/95/209343195.db2.gz	SNELLIBMYLTTDE-LBPRGKRZSA-N	-1	0	392.315	2.184	50	5		GEBARM
CCc1cccc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])c1	ZINC000004919880	570365998	/nfs/dbraw/zinc/36/59/98/570365998.db2.gz	SHKMCRAYGUCKFW-UHFFFAOYSA-N	-1	0	383.364	2.491	50	5		GEBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](C)C(=O)[O-])cc1	ZINC000004950838	570380757	/nfs/dbraw/zinc/38/07/57/570380757.db2.gz	LRWYLSUWGFTBQS-MFVBVHDHSA-N	-1	0	397.387	2.263	50	5		GEBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000007990195	570468056	/nfs/dbraw/zinc/46/80/56/570468056.db2.gz	PLFLNLKZLDZSCT-GFCCVEGCSA-N	-1	0	386.332	2.367	50	5		GEBARM
Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3[N+](=O)[O-])CC2)nc(C(C)C)n1	ZINC000170595746	570853525	/nfs/dbraw/zinc/85/35/25/570853525.db2.gz	FSOYNSTVRWBLID-UHFFFAOYSA-N	-1	0	385.424	2.485	50	5		GEBARM
Cn1nc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)ccc1=O	ZINC000010324890	209329294	/nfs/dbraw/zinc/32/92/94/209329294.db2.gz	CVCNKWKQCVBZIA-UHFFFAOYSA-N	-1	0	386.389	2.156	50	5		GEBARM
Cc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)c([N+](=O)[O-])c1	ZINC000019878614	210305584	/nfs/dbraw/zinc/30/55/84/210305584.db2.gz	WJDWLQHWBWZYLD-ZDUSSCGKSA-N	-1	0	387.373	2.421	50	5		GEBARM
CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035339779	570342820	/nfs/dbraw/zinc/34/28/20/570342820.db2.gz	WTLRFKZDRIBIQE-CQSZACIVSA-N	-1	0	379.369	2.280	50	5		GEBARM
COCCOc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC	ZINC000024956117	570375850	/nfs/dbraw/zinc/37/58/50/570375850.db2.gz	BQBZIPSVNHNOMR-UHFFFAOYSA-N	-1	0	398.393	2.135	50	5		GEBARM
CCOc1cc([N+](=O)[O-])cc(/C=c2\sc3nc4ccccc4n3c2=O)c1[O-]	ZINC000004678178	570823687	/nfs/dbraw/zinc/82/36/87/570823687.db2.gz	OSKODLUCUAIYIU-NVNXTCNLSA-N	-1	0	383.385	2.469	50	5		GEBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncn(Cc2cccc(F)c2)n1	ZINC000017077147	210201612	/nfs/dbraw/zinc/20/16/12/210201612.db2.gz	BKLUKSREIGXIOK-UHFFFAOYSA-N	-1	0	377.357	2.175	50	5		GEBARM
COc1ccc(C)cc1NC(=S)N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002858126	209392571	/nfs/dbraw/zinc/39/25/71/209392571.db2.gz	FGHCWICZAIFOOE-UHFFFAOYSA-N	-1	0	396.450	2.092	50	5		GEBARM
CC(C)(C)OC(=O)N[C@@H](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000104840577	570303820	/nfs/dbraw/zinc/30/38/20/570303820.db2.gz	QUKMUFMHGRNDHI-NSHDSACASA-N	-1	0	384.345	2.283	50	5		GEBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001871319	570437732	/nfs/dbraw/zinc/43/77/32/570437732.db2.gz	KCOKHHAGIKJJBC-CQSZACIVSA-N	-1	0	389.389	2.050	50	5		GEBARM
CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2=O	ZINC000007407975	570837993	/nfs/dbraw/zinc/83/79/93/570837993.db2.gz	UOABVPBRBBBIFP-UHFFFAOYSA-N	-1	0	380.788	2.394	50	5		GEBARM
O=C([O-])C[C@@]1(C(=O)NC2CCCCC2)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000008742450	221054370	/nfs/dbraw/zinc/05/43/70/221054370.db2.gz	VEAMOZZTJKCCQU-GOSISDBHSA-N	-1	0	375.381	2.382	50	5		GEBARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000005383103	570570317	/nfs/dbraw/zinc/57/03/17/570570317.db2.gz	IVHSMISMNCQSAC-UHFFFAOYSA-N	-1	0	397.796	2.325	50	5		GEBARM
NC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000048331864	531729757	/nfs/dbraw/zinc/72/97/57/531729757.db2.gz	RJKSFQBNTNZQBS-UHFFFAOYSA-N	-1	0	386.773	2.245	50	5		GEBARM
COCCOc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC	ZINC000024955692	570375858	/nfs/dbraw/zinc/37/58/58/570375858.db2.gz	STHQCCQIEDMLFD-UHFFFAOYSA-N	-1	0	382.394	2.429	50	5		GEBARM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000005010293	570393263	/nfs/dbraw/zinc/39/32/63/570393263.db2.gz	XWRVZLCTTNWZLZ-HNNXBMFYSA-N	-1	0	378.768	2.439	50	5		GEBARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000035608243	570401272	/nfs/dbraw/zinc/40/12/72/570401272.db2.gz	RJDJOIIHJYOLGG-CQSZACIVSA-N	-1	0	379.369	2.136	50	5		GEBARM
CCSc1nnc(C(F)F)n1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000035679037	570412654	/nfs/dbraw/zinc/41/26/54/570412654.db2.gz	YWDFWPUDUQXYLD-UHFFFAOYSA-N	-1	0	379.370	2.168	50	5		GEBARM
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000005451652	570596807	/nfs/dbraw/zinc/59/68/07/570596807.db2.gz	XUBHKIZSBCJTGV-SFHVURJKSA-N	-1	0	375.381	2.382	50	5		GEBARM
O=C([O-])C=CC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000017081431	570926952	/nfs/dbraw/zinc/92/69/52/570926952.db2.gz	FOARSTCOYBXNLS-CMDGGOBGSA-N	-1	0	398.327	2.214	50	5		GEBARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])o1	ZINC000004770742	570975523	/nfs/dbraw/zinc/97/55/23/570975523.db2.gz	VXCYJOZDAPUQLI-ZZXKWVIFSA-N	-1	0	383.316	2.408	50	5		GEBARM
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1	ZINC000108392397	570988417	/nfs/dbraw/zinc/98/84/17/570988417.db2.gz	LBQFUTSLHKWBGQ-IEBWSBKVSA-N	-1	0	383.404	2.026	50	5		GEBARM
Cn1nc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)ccc1=O	ZINC000010324776	209329115	/nfs/dbraw/zinc/32/91/15/209329115.db2.gz	LNZFWXRHBAQPHJ-UHFFFAOYSA-N	-1	0	386.389	2.156	50	5		GEBARM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000004763629	209139794	/nfs/dbraw/zinc/13/97/94/209139794.db2.gz	MHLYGQNXTHCQDB-ZDUSSCGKSA-N	-1	0	382.369	2.396	50	5		GEBARM
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(Cl)cc([N+](=O)[O-])c3O)cc12	ZINC000095985514	211290690	/nfs/dbraw/zinc/29/06/90/211290690.db2.gz	GMMKWTQIJVCBFP-UHFFFAOYSA-N	-1	0	397.800	2.345	50	5		GEBARM
O=C([O-])CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899488	570357293	/nfs/dbraw/zinc/35/72/93/570357293.db2.gz	KNBLWBFJHZHYFG-INIZCTEOSA-N	-1	0	385.376	2.126	50	5		GEBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OC	ZINC000033922317	570530377	/nfs/dbraw/zinc/53/03/77/570530377.db2.gz	CRYUKTOYWWHZJZ-ARJAWSKDSA-N	-1	0	398.169	2.334	50	5		GEBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCOCC3)c([O-])n2n1	ZINC000022854226	570556592	/nfs/dbraw/zinc/55/65/92/570556592.db2.gz	PHUZPRNBDHEBLA-CQSZACIVSA-N	-1	0	389.437	2.389	50	5		GEBARM
CC1(C)CC(=O)c2c([nH]c3nc(=O)[n-]c(=O)c-3c2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000005444213	570595385	/nfs/dbraw/zinc/59/53/85/570595385.db2.gz	AKMYIZKKLDROIR-UHFFFAOYSA-N	-1	0	380.360	2.342	50	5	aggregator	GEBARM
COc1ccc(-n2nc([N+](=O)[O-])c([N-]c3cc(OC)cc(OC)c3)[n+]2[O-])cc1	ZINC000016226435	210187721	/nfs/dbraw/zinc/18/77/21/210187721.db2.gz	PFRHLGQOKRKVGQ-UHFFFAOYSA-N	-1	0	387.352	2.183	50	5		GEBARM
O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)s2)n[nH]1	ZINC000015936775	210179966	/nfs/dbraw/zinc/17/99/66/210179966.db2.gz	NWHOPOHRFRDQKB-UHFFFAOYSA-N	-1	0	378.391	2.207	50	5		GEBARM
CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1[O-]	ZINC000014011388	210099846	/nfs/dbraw/zinc/09/98/46/210099846.db2.gz	AYZORGOQPFBWJA-DHDCSXOGSA-N	-1	0	383.385	2.469	50	5		GEBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1[N+](=O)[O-]	ZINC000013411055	210061211	/nfs/dbraw/zinc/06/12/11/210061211.db2.gz	UJRXUHXBDGVTNN-OAHLLOKOSA-N	-1	0	383.360	2.267	50	5		GEBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)cc1	ZINC000002780312	209383350	/nfs/dbraw/zinc/38/33/50/209383350.db2.gz	VGOQHEGJVXGLJW-UHFFFAOYSA-N	-1	0	377.357	2.175	50	5		GEBARM
COc1ccc(-c2nn3c(CCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000032934906	210604044	/nfs/dbraw/zinc/60/40/44/210604044.db2.gz	CTFOTUPKMHKXMG-UHFFFAOYSA-N	-1	0	376.372	2.331	50	5		GEBARM
COc1cc(Br)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000005050293	570404597	/nfs/dbraw/zinc/40/45/97/570404597.db2.gz	WCKLAOUFNOUVEQ-ONEGZZNKSA-N	-1	0	398.169	2.334	50	5		GEBARM
O=C([O-])C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000003888628	570817404	/nfs/dbraw/zinc/81/74/04/570817404.db2.gz	BWUWTHGRIRHNAV-UHFFFAOYSA-N	-1	0	397.453	2.070	50	5		GEBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000001871315	570821800	/nfs/dbraw/zinc/82/18/00/570821800.db2.gz	KCOKHHAGIKJJBC-AWEZNQCLSA-N	-1	0	389.389	2.050	50	5		GEBARM
COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000003003288	209404517	/nfs/dbraw/zinc/40/45/17/209404517.db2.gz	JQKRPORSPVGDGL-UHFFFAOYSA-N	-1	0	375.362	2.428	50	5		GEBARM
O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002891861	209395638	/nfs/dbraw/zinc/39/56/38/209395638.db2.gz	NYIQVTKVZCHUAM-UHFFFAOYSA-N	-1	0	385.361	2.244	50	5		GEBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(F)cc2F)cc1	ZINC000002858112	209392603	/nfs/dbraw/zinc/39/26/03/209392603.db2.gz	WRTVSLQKVYAOEK-UHFFFAOYSA-N	-1	0	388.377	2.053	50	5		GEBARM
Cn1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)ccc1=O	ZINC000010324885	209329923	/nfs/dbraw/zinc/32/99/23/209329923.db2.gz	OGGVJKHGZMUMQK-UHFFFAOYSA-N	-1	0	386.389	2.156	50	5		GEBARM
CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])s3)o2)cc1	ZINC000009707661	209290256	/nfs/dbraw/zinc/29/02/56/209290256.db2.gz	JFNFBDQMDNZFHL-UHFFFAOYSA-N	-1	0	394.390	2.362	50	5		GEBARM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	ZINC000101343289	211398197	/nfs/dbraw/zinc/39/81/97/211398197.db2.gz	SFIBTYRWBSODOQ-GOEBONIOSA-N	-1	0	396.315	2.104	50	5		GEBARM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2	ZINC000089575515	211181950	/nfs/dbraw/zinc/18/19/50/211181950.db2.gz	QDVIITQZSDCMQD-VIFPVBQESA-N	-1	0	393.377	2.129	50	5		GEBARM
CCc1ccc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)cc1	ZINC000083823555	211163474	/nfs/dbraw/zinc/16/34/74/211163474.db2.gz	GXCPOOBDGNWGQB-UHFFFAOYSA-N	-1	0	383.404	2.461	50	5		GEBARM
O=C([O-])[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c(=O)cccc43)[C@H]12	ZINC000004000502	136193709	/nfs/dbraw/zinc/19/37/09/136193709.db2.gz	YUEJFTLURJVZMA-PITQQHRWSA-N	-1	0	381.388	2.006	50	5		GEBARM
COc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2Cl)c([N+](=O)[O-])c1	ZINC000026541541	570341526	/nfs/dbraw/zinc/34/15/26/570341526.db2.gz	YEUZEEQHXBQDDC-UHFFFAOYSA-N	-1	0	385.785	2.157	50	5		GEBARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000035340458	570342627	/nfs/dbraw/zinc/34/26/27/570342627.db2.gz	OOAQYTXVEPRGTN-OTIXFSKASA-N	-1	0	396.377	2.297	50	5		GEBARM
O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000006661623	570525371	/nfs/dbraw/zinc/52/53/71/570525371.db2.gz	VEAMOZZTJKCCQU-SFHVURJKSA-N	-1	0	375.381	2.382	50	5		GEBARM
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1	ZINC000025066903	570709986	/nfs/dbraw/zinc/70/99/86/570709986.db2.gz	KFBOGDAHJPEELB-UHFFFAOYSA-N	-1	0	392.437	2.117	50	5		GEBARM
COc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000004676417	570817354	/nfs/dbraw/zinc/81/73/54/570817354.db2.gz	SHHVLEJOVZXVBP-UHFFFAOYSA-N	-1	0	377.378	2.201	50	5		GEBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCOCC3)c([O-])n2n1	ZINC000023157609	570920385	/nfs/dbraw/zinc/92/03/85/570920385.db2.gz	DFLRKFCCKNZGJP-CYBMUJFWSA-N	-1	0	375.410	2.135	50	5		GEBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	ZINC000007990196	221022425	/nfs/dbraw/zinc/02/24/25/221022425.db2.gz	PLFLNLKZLDZSCT-LBPRGKRZSA-N	-1	0	386.332	2.367	50	5		GEBARM
CN(C)c1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1[N+](=O)[O-]	ZINC000012742920	221223707	/nfs/dbraw/zinc/22/37/07/221223707.db2.gz	ZXDZJBGZRFNTSA-UHFFFAOYSA-N	-1	0	387.421	2.231	50	5		GEBARM
CCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000013897659	221293726	/nfs/dbraw/zinc/29/37/26/221293726.db2.gz	UTQQMWPYCCMGBY-OAHLLOKOSA-N	-1	0	377.784	2.360	50	5		GEBARM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H](c1cccc(F)c1)N1CCOCC1	ZINC000096012022	222371906	/nfs/dbraw/zinc/37/19/06/222371906.db2.gz	ULMKXIIDNNRZAY-KRWDZBQOSA-N	-1	0	375.356	2.452	50	5		GEBARM
CCc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])cc1	ZINC000004919872	570365989	/nfs/dbraw/zinc/36/59/89/570365989.db2.gz	SOKPTJHDSZURCF-UHFFFAOYSA-N	-1	0	383.364	2.491	50	5		GEBARM
CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035817444	570457092	/nfs/dbraw/zinc/45/70/92/570457092.db2.gz	PQKSKKAGSZGNSW-RMLUDKJBSA-N	-1	0	379.369	2.279	50	5		GEBARM
O=C(C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O)N1CCCC1	ZINC000000819379	212185520	/nfs/dbraw/zinc/18/55/20/212185520.db2.gz	NCYUSKIMODGCQC-MRXNPFEDSA-N	-1	0	389.795	2.456	50	5		GEBARM
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1	ZINC000004690122	220748353	/nfs/dbraw/zinc/74/83/53/220748353.db2.gz	IOHOZASCINVWTA-HNNXBMFYSA-N	-1	0	380.378	2.098	50	5		GEBARM
COc1ccc(-c2nn3c(CCC(=O)[O-])nc4cc(F)ccc4c3nc2=O)cc1	ZINC000071924149	222200234	/nfs/dbraw/zinc/20/02/34/222200234.db2.gz	FINZUARDHYMMIV-UHFFFAOYSA-N	-1	0	394.362	2.470	50	5		GEBARM
COc1cc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1[O-]	ZINC000033911477	570500162	/nfs/dbraw/zinc/50/01/62/570500162.db2.gz	PQVYCYOLUNYRNV-AWEZNQCLSA-N	-1	0	389.368	2.141	50	5		GEBARM
CSCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-]	ZINC000006673359	570529592	/nfs/dbraw/zinc/52/95/92/570529592.db2.gz	PEHQTZFKWQOSBQ-HNNXBMFYSA-N	-1	0	384.457	2.477	50	5		GEBARM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000012544881	570846364	/nfs/dbraw/zinc/84/63/64/570846364.db2.gz	OCMUYAVHPDTNPT-UHFFFAOYSA-N	-1	0	399.450	2.002	50	5		GEBARM
O=c1[n-]c(Sc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])n[nH]1	ZINC000170616209	570873776	/nfs/dbraw/zinc/87/37/76/570873776.db2.gz	HEVBMOFPMSAANY-UHFFFAOYSA-N	-1	0	399.454	2.134	50	5		GEBARM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O	ZINC000103559107	570886674	/nfs/dbraw/zinc/88/66/74/570886674.db2.gz	PNCQIGDHZKWVGG-GDBMZVCRSA-N	-1	0	396.315	2.104	50	5		GEBARM
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C1O	ZINC000103559100	570886761	/nfs/dbraw/zinc/88/67/61/570886761.db2.gz	PNCQIGDHZKWVGG-HOCLYGCPSA-N	-1	0	396.315	2.104	50	5		GEBARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001782144	212255773	/nfs/dbraw/zinc/25/57/73/212255773.db2.gz	KJJXWLQWLLITGC-MRXNPFEDSA-N	-1	0	389.389	2.050	50	5		GEBARM
CCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009553844	221084995	/nfs/dbraw/zinc/08/49/95/221084995.db2.gz	UTQQMWPYCCMGBY-HNNXBMFYSA-N	-1	0	377.784	2.360	50	5		GEBARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000035340454	570342734	/nfs/dbraw/zinc/34/27/34/570342734.db2.gz	OOAQYTXVEPRGTN-LQGZHCLWSA-N	-1	0	396.377	2.297	50	5		GEBARM
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](C)C(=O)[O-])cc1	ZINC000004950839	570380841	/nfs/dbraw/zinc/38/08/41/570380841.db2.gz	LRWYLSUWGFTBQS-GPLLRDDGSA-N	-1	0	397.387	2.263	50	5		GEBARM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc([N+](=O)[O-])cc1	ZINC000005010294	570393414	/nfs/dbraw/zinc/39/34/14/570393414.db2.gz	XWRVZLCTTNWZLZ-OAHLLOKOSA-N	-1	0	378.768	2.439	50	5		GEBARM
CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000035948764	570481754	/nfs/dbraw/zinc/48/17/54/570481754.db2.gz	AOPGUOHPNHCGPW-CQSZACIVSA-N	-1	0	381.410	2.225	50	5		GEBARM
O=C([O-])CCCN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	ZINC000001125568	212219947	/nfs/dbraw/zinc/21/99/47/212219947.db2.gz	AFVQWHJSOZHKGJ-UHFFFAOYSA-N	-1	0	382.328	2.287	50	5		GEBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000102098313	222479056	/nfs/dbraw/zinc/47/90/56/222479056.db2.gz	USJXOEWTFGNLFC-UHFFFAOYSA-N	-1	0	378.253	2.378	50	5		GEBARM
CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036180243	570562550	/nfs/dbraw/zinc/56/25/50/570562550.db2.gz	NVAWARAAFFCIHB-LQGZHCLWSA-N	-1	0	396.377	2.297	50	5		GEBARM
COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000004578519	570894115	/nfs/dbraw/zinc/89/41/15/570894115.db2.gz	GVERRSKAAZYTCY-UHFFFAOYSA-N	-1	0	380.378	2.192	50	5		GEBARM
Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCOCC3)c([O-])n2n1	ZINC000023157606	570920514	/nfs/dbraw/zinc/92/05/14/570920514.db2.gz	DFLRKFCCKNZGJP-ZDUSSCGKSA-N	-1	0	375.410	2.135	50	5		GEBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001782143	212255388	/nfs/dbraw/zinc/25/53/88/212255388.db2.gz	KJJXWLQWLLITGC-INIZCTEOSA-N	-1	0	389.389	2.050	50	5		GEBARM
Cn1nc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1=O	ZINC000010324779	212246760	/nfs/dbraw/zinc/24/67/60/212246760.db2.gz	WNBOYBPVWKIHCT-UHFFFAOYSA-N	-1	0	386.389	2.156	50	5		GEBARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000035686001	212119229	/nfs/dbraw/zinc/11/92/29/212119229.db2.gz	BKKMBBYOWJSVNK-INIZCTEOSA-N	-1	0	389.389	2.050	50	5		GEBARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1C1=NN[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000101396087	570821728	/nfs/dbraw/zinc/82/17/28/570821728.db2.gz	FHRZJNYDOUBDNC-CQSZACIVSA-N	-1	0	399.407	2.094	50	5		GEBARM
O=C([N-]CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br)C(F)(F)F	ZINC000043828071	570994080	/nfs/dbraw/zinc/99/40/80/570994080.db2.gz	JMLJZKKJBVCMLL-UHFFFAOYSA-N	-1	0	386.080	2.487	50	5		GEBARM
CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000008746721	221055013	/nfs/dbraw/zinc/05/50/13/221055013.db2.gz	GWMJHLHYSCHNQZ-UHFFFAOYSA-N	-1	0	379.394	2.337	50	5		GEBARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1[O-]	ZINC000035812702	570457100	/nfs/dbraw/zinc/45/71/00/570457100.db2.gz	IPUHVMKVNHLPHM-CQSZACIVSA-N	-1	0	379.369	2.279	50	5		GEBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCOCC3)c([O-])n2n1	ZINC000022854224	570556500	/nfs/dbraw/zinc/55/65/00/570556500.db2.gz	PHUZPRNBDHEBLA-AWEZNQCLSA-N	-1	0	389.437	2.389	50	5		GEBARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000007108080	570791264	/nfs/dbraw/zinc/79/12/64/570791264.db2.gz	QSKPEOIIJPIUGL-UHFFFAOYSA-N	-1	0	392.751	2.370	50	5		GEBARM
CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br	ZINC000072310846	531917294	/nfs/dbraw/zinc/91/72/94/531917294.db2.gz	WRWGAJNQKIPYOZ-SSDOTTSWSA-N	-1	0	394.247	2.181	50	5		GEBARM
CS(=O)(=O)c1ccccc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)o1	ZINC000009707604	212205416	/nfs/dbraw/zinc/20/54/16/212205416.db2.gz	FLPAIZNAEWRABE-UHFFFAOYSA-N	-1	0	394.390	2.362	50	5		GEBARM
CCOC(=O)c1ccc2nc3c(=O)[n-]c(=O)nc-3n(CCc3ccccc3)c2c1	ZINC000008783563	221060463	/nfs/dbraw/zinc/06/04/63/221060463.db2.gz	CHOLCTAUFRJNHH-UHFFFAOYSA-N	-1	0	390.399	2.004	50	5		GEBARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000012520869	221201838	/nfs/dbraw/zinc/20/18/38/221201838.db2.gz	GPXXVZCVQQBYHE-UHFFFAOYSA-N	-1	0	399.450	2.084	50	5		GEBARM
O=C([O-])C[C@@]1(C(=O)NC2CCCCC2)CC(c2ccc([N+](=O)[O-])cc2)=NO1	ZINC000015971834	221353388	/nfs/dbraw/zinc/35/33/88/221353388.db2.gz	XUBHKIZSBCJTGV-GOSISDBHSA-N	-1	0	375.381	2.382	50	5		GEBARM
COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccncc3)n2)cc1[N+](=O)[O-]	ZINC000058180533	222044276	/nfs/dbraw/zinc/04/42/76/222044276.db2.gz	QVMBPYVYGCYPNV-UHFFFAOYSA-N	-1	0	389.393	2.044	50	5		GEBARM
O=C([O-])[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](c4cccc(=O)n4C3)[C@H]12	ZINC000524731612	570766548	/nfs/dbraw/zinc/76/65/48/570766548.db2.gz	DRXPIXOZVLUSRP-GCYOBHRFSA-N	-1	0	381.388	2.006	50	5		GEBARM
COC(=O)c1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)cc1F	ZINC000024428267	570825666	/nfs/dbraw/zinc/82/56/66/570825666.db2.gz	HIDREAAGWCSLEZ-UHFFFAOYSA-N	-1	0	388.304	2.166	50	5		GEBARM
CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000004763633	212079910	/nfs/dbraw/zinc/07/99/10/212079910.db2.gz	MHLYGQNXTHCQDB-CYBMUJFWSA-N	-1	0	382.369	2.396	50	5		GEBARM
CCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035339780	570342741	/nfs/dbraw/zinc/34/27/41/570342741.db2.gz	WTLRFKZDRIBIQE-AWEZNQCLSA-N	-1	0	379.369	2.280	50	5		GEBARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000035340456	570343106	/nfs/dbraw/zinc/34/31/06/570343106.db2.gz	OOAQYTXVEPRGTN-HLPMDPMVSA-N	-1	0	396.377	2.297	50	5		GEBARM
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1	ZINC000035817447	570457034	/nfs/dbraw/zinc/45/70/34/570457034.db2.gz	PQKSKKAGSZGNSW-CLAHSXSESA-N	-1	0	379.369	2.279	50	5		GEBARM
Nc1cc([O-])c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCOCC2)c(F)c1	ZINC000170597851	570856177	/nfs/dbraw/zinc/85/61/77/570856177.db2.gz	GZQBQHLURJHFDQ-UHFFFAOYSA-N	-1	0	376.344	2.111	50	5		GEBARM
Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(O)CC3)c([O-])n2n1	ZINC000023157588	570920506	/nfs/dbraw/zinc/92/05/06/570920506.db2.gz	LOFPMLHCPXRQNQ-CQSZACIVSA-N	-1	0	389.437	2.259	50	5		GEBARM
O=C([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	ZINC000004054091	570925927	/nfs/dbraw/zinc/92/59/27/570925927.db2.gz	MWJUAFLPWJRUKI-UHFFFAOYSA-N	-1	0	385.376	2.344	50	5		GEBARM