smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2)c1	ZINC000001431194	204007466	/nfs/dbraw/zinc/00/74/66/204007466.db2.gz	DCTKZDDAXOIRCS-LJQANCHMSA-N	-1	3	359.381	4.371	40	30		FIEBHM
CC(=O)c1c([O-])n(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc21	ZINC000100970608	222259895	/nfs/dbraw/zinc/25/98/95/222259895.db2.gz	CQXOCENXECGWEP-UNOMPAQXSA-N	-1	3	360.369	4.117	40	30		FIEBHM
CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccccc1	ZINC000100986275	570509685	/nfs/dbraw/zinc/50/96/85/570509685.db2.gz	PENIMCWBIPZEOL-VCHYOVAHSA-N	-1	3	350.212	4.235	40	30		FIEBHM
COc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(C)cc1	ZINC000011801705	570807392	/nfs/dbraw/zinc/80/73/92/570807392.db2.gz	CLNDLWTVQYWCEM-GIJQJNRQSA-N	-1	3	350.212	4.153	40	30		FIEBHM
Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931429	132233354	/nfs/dbraw/zinc/23/33/54/132233354.db2.gz	UTVGJLVXQSYZJL-JCMHNJIXSA-N	-1	3	352.434	4.332	40	30		FIEBHM
CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(F)cc1	ZINC000103848252	520644283	/nfs/dbraw/zinc/64/42/83/520644283.db2.gz	LBUQMXVLVRTBSP-DJKKODMXSA-N	-1	3	368.202	4.374	40	30		FIEBHM
Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2Cl)c1	ZINC000008369947	570627000	/nfs/dbraw/zinc/62/70/00/570627000.db2.gz	CKLDPACABAXJTJ-ZBKNUEDVSA-N	-1	3	367.232	4.436	40	30		FIEBHM
COc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(Cl)cc1	ZINC000015987987	570848935	/nfs/dbraw/zinc/84/89/35/570848935.db2.gz	JYJAYGWGJVISOU-LSCVHKIXSA-N	-1	3	370.630	4.498	40	30		FIEBHM
C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2C)cc(OCC)c1[O-]	ZINC000059250224	571088921	/nfs/dbraw/zinc/08/89/21/571088921.db2.gz	GGPSXUYOCRHBCF-LPYMAVHISA-N	-1	3	353.418	4.365	40	30		FIEBHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccccc2)cc1	ZINC000001438438	204007175	/nfs/dbraw/zinc/00/71/75/204007175.db2.gz	QUVNTSWJKGSENO-LJQANCHMSA-N	-1	3	359.381	4.371	40	30		FIEBHM
[O-]c1ccc(/C=N\c2ccccc2Cl)cc1I	ZINC000408963874	570704117	/nfs/dbraw/zinc/70/41/17/570704117.db2.gz	PVNDHNBDIZOIDM-PXNMLYILSA-N	-1	3	357.578	4.401	40	30		FIEBHM
CC(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000001097840	571146470	/nfs/dbraw/zinc/14/64/70/571146470.db2.gz	HVVHRIBZGUYCON-OAHLLOKOSA-N	-1	3	366.200	4.071	40	30		FIEBHM
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2Cl)c(C)c1	ZINC000008369134	571301103	/nfs/dbraw/zinc/30/11/03/571301103.db2.gz	WBAPMGOYYJULFC-ZBKNUEDVSA-N	-1	3	367.232	4.436	40	30		FIEBHM
O=C(Nc1ccc(/N=C/c2ccc(O)c([O-])c2)cc1)c1ccc(F)cc1	ZINC000003087960	204077770	/nfs/dbraw/zinc/07/77/70/204077770.db2.gz	MYNMMIIKLUYMTC-WSDLNYQXSA-N	-1	3	350.349	4.240	40	30		FIEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1ccc(Br)cc1	ZINC000103854785	520646556	/nfs/dbraw/zinc/64/65/56/520646556.db2.gz	FQNVVZVJJFYKNG-ZDLGFXPLSA-N	-1	3	350.212	4.235	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000408740750	570687628	/nfs/dbraw/zinc/68/76/28/570687628.db2.gz	MFJJZIHXVPSPFZ-ZVCOJXFSSA-N	-1	3	356.223	4.190	40	30		FIEBHM
COc1cc(C=NNc2ccc(Cl)cc2)cc(Br)c1[O-]	ZINC000005158811	206189566	/nfs/dbraw/zinc/18/95/66/206189566.db2.gz	JFCOLGLHQVEDKL-CAOOACKPSA-N	-1	3	355.619	4.263	40	30		FIEBHM
COc1cc([O-])c(/C=N\N=C2c3ccccc3-c3ccccc32)c(OC)c1	ZINC000016921136	570863305	/nfs/dbraw/zinc/86/33/05/570863305.db2.gz	HNBIMHWMFCDQJK-QRVIBDJDSA-N	-1	3	358.397	4.261	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2)cc(CN(C)C)c1[O-]	ZINC000031870592	571056004	/nfs/dbraw/zinc/05/60/04/571056004.db2.gz	RMHPAPCELXPRMF-YFHOEESVSA-N	-1	3	372.896	4.065	40	30		FIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(F)cc1	ZINC000011862115	571077068	/nfs/dbraw/zinc/07/70/68/571077068.db2.gz	LBUQMXVLVRTBSP-OCKHKDLRSA-N	-1	3	368.202	4.374	40	30		FIEBHM
CCCOc1cccc(C(=O)NC(=S)[N-]c2sc(C)c(C)c2C#N)c1	ZINC000408627834	571319371	/nfs/dbraw/zinc/31/93/71/571319371.db2.gz	OFGMETPSNSUNRT-UHFFFAOYSA-N	-1	3	373.503	4.152	40	30		FIEBHM
CCCC(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000408626352	571319412	/nfs/dbraw/zinc/31/94/12/571319412.db2.gz	GPYKWCQAMWKHMB-NSHDSACASA-N	-1	3	363.552	4.384	40	30		FIEBHM
CCOc1cc(Cl)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1[O-]	ZINC000022362731	263385998	/nfs/dbraw/zinc/38/59/98/263385998.db2.gz	ODYRYLJSXFSOEE-LPYMAVHISA-N	-1	3	374.868	4.027	40	30		FIEBHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Br)cc1	ZINC000103862853	571147308	/nfs/dbraw/zinc/14/73/08/571147308.db2.gz	TZCNTZZFIGMXSD-QGMBQPNBSA-N	-1	3	370.630	4.498	40	30		FIEBHM
COc1cc(/C=N/c2ccc(C)cc2)cc(I)c1[O-]	ZINC000001229204	206227117	/nfs/dbraw/zinc/22/71/17/206227117.db2.gz	YBPOQKLRIXILCV-RQZCQDPDSA-N	-1	3	367.186	4.064	40	30		FIEBHM
Cc1nn(C)c(C)c1/N=C/c1c([O-])ccc2cc(Br)ccc21	ZINC000001095833	206227139	/nfs/dbraw/zinc/22/71/39/206227139.db2.gz	NJEPEOXMUWBMBA-DJKKODMXSA-N	-1	3	358.239	4.409	40	30		FIEBHM
Clc1ccc(C=NNc2nnc(SCCOc3ccccc3)[n-]2)cc1	ZINC000009695139	526940325	/nfs/dbraw/zinc/94/03/25/526940325.db2.gz	RYSOQICOQGFADI-XDHOZWIPSA-N	-1	3	373.869	4.075	40	30		FIEBHM
Clc1ccc(C=[NH+][N-]c2nnc(SCCOc3ccccc3)[n-]2)cc1	ZINC000009695139	526940329	/nfs/dbraw/zinc/94/03/29/526940329.db2.gz	RYSOQICOQGFADI-XDHOZWIPSA-N	-1	3	373.869	4.075	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Br)c1	ZINC000408740994	570687491	/nfs/dbraw/zinc/68/74/91/570687491.db2.gz	NKPFKCCSFGFONM-ZVCOJXFSSA-N	-1	3	356.223	4.190	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(Br)c1	ZINC000408740990	570687640	/nfs/dbraw/zinc/68/76/40/570687640.db2.gz	NKPFKCCSFGFONM-YDDPGSGASA-N	-1	3	356.223	4.190	40	30		FIEBHM
COc1cc(/C=N/[O-])cc(Br)c1OCc1cc(C)cc(C)c1	ZINC000408937704	570701590	/nfs/dbraw/zinc/70/15/90/570701590.db2.gz	JNCJNDSKXKSPHY-DJKKODMXSA-N	-1	3	364.239	4.462	40	30		FIEBHM
Cc1ccc(C)c(/N=C\c2ccc([O-])c(I)c2)c1	ZINC000408963894	570704090	/nfs/dbraw/zinc/70/40/90/570704090.db2.gz	PWOPPIAWALXPQT-MFOYZWKCSA-N	-1	3	351.187	4.364	40	30		FIEBHM
CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3[O-])S2)cc1	ZINC000032138994	571057489	/nfs/dbraw/zinc/05/74/89/571057489.db2.gz	QYLSUJSTDNFCNP-MHWRWJLKSA-N	-1	3	374.849	4.336	40	30		FIEBHM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Cl)ccc1[O-]	ZINC000058900526	571087498	/nfs/dbraw/zinc/08/74/98/571087498.db2.gz	KQZFKQYXBUCICY-FBCYGCLPSA-N	-1	3	359.691	4.419	40	30		FIEBHM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(Cl)ccc1[O-]	ZINC000058900526	571087499	/nfs/dbraw/zinc/08/74/99/571087499.db2.gz	KQZFKQYXBUCICY-FBCYGCLPSA-N	-1	3	359.691	4.419	40	30		FIEBHM
[O-]c1ccccc1/C=N\NC(=S)Nc1cccc2cc3ccccc3nc21	ZINC000004707234	204156878	/nfs/dbraw/zinc/15/68/78/204156878.db2.gz	JPBICJSUJBVKIM-XKZIYDEJSA-N	-1	3	372.453	4.414	40	30		FIEBHM
O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccccc2[O-])c1	ZINC000000711846	206132326	/nfs/dbraw/zinc/13/23/26/206132326.db2.gz	IRAIIIMIMOCDDO-FYJGNVAPSA-N	-1	3	358.357	4.366	40	30		FIEBHM
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000006386262	263345136	/nfs/dbraw/zinc/34/51/36/263345136.db2.gz	BVEAGSRIDOVKKP-VXLYETTFSA-N	-1	3	361.854	4.019	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C/c2ccccc2Cl)cc(CN(C)C)c1[O-]	ZINC000016958805	521890810	/nfs/dbraw/zinc/89/08/10/521890810.db2.gz	WXFSZYUYVKUUNW-MDZDMXLPSA-N	-1	3	372.896	4.065	40	30		FIEBHM
COc1cc([O-])c(/C=N/N=C2c3ccccc3-c3ccccc32)c(OC)c1	ZINC000001710211	570505175	/nfs/dbraw/zinc/50/51/75/570505175.db2.gz	HNBIMHWMFCDQJK-YDZHTSKRSA-N	-1	3	358.397	4.261	40	30		FIEBHM
CCOc1cc(C=NNc2nc3ccccc3n2CC)cc(Cl)c1[O-]	ZINC000408692942	570648961	/nfs/dbraw/zinc/64/89/61/570648961.db2.gz	YXXFWIIYKIMWDQ-RGVLZGJSSA-N	-1	3	358.829	4.260	40	30		FIEBHM
[O-]c1ccccc1/C=N/c1ccc(I)cc1Cl	ZINC000016449082	570856184	/nfs/dbraw/zinc/85/61/84/570856184.db2.gz	ABZSJTUZKHLRDT-LZYBPNLTSA-N	-1	3	357.578	4.401	40	30		FIEBHM
CC(=O)C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000001097839	571146410	/nfs/dbraw/zinc/14/64/10/571146410.db2.gz	HVVHRIBZGUYCON-HNNXBMFYSA-N	-1	3	366.200	4.071	40	30		FIEBHM
Cc1ccc(C2N=NC(=S)N2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000253616975	571291923	/nfs/dbraw/zinc/29/19/23/571291923.db2.gz	JRQYJPYPGWICEA-UHFFFAOYSA-N	-1	3	360.442	4.283	40	30		FIEBHM
Cc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000001438439	570499893	/nfs/dbraw/zinc/49/98/93/570499893.db2.gz	SBWSBNGIVNGVMG-IBGZPJMESA-N	-1	3	359.381	4.371	40	30		FIEBHM
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1[O-]	ZINC000003581776	570770969	/nfs/dbraw/zinc/77/09/69/570770969.db2.gz	LDCBWJPSPFDERA-NTUHNPAUSA-N	-1	3	359.219	4.376	40	30		FIEBHM
[O-]c1ccccc1/C=N/NC(=S)Nc1cccc2cc3ccccc3nc21	ZINC000017314281	570871650	/nfs/dbraw/zinc/87/16/50/570871650.db2.gz	JPBICJSUJBVKIM-LPYMAVHISA-N	-1	3	372.453	4.414	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C\c2ccccc2Cl)cc(CN(C)C)c1[O-]	ZINC000031870594	263392242	/nfs/dbraw/zinc/39/22/42/263392242.db2.gz	WXFSZYUYVKUUNW-KTKRTIGZSA-N	-1	3	372.896	4.065	40	30		FIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCc1cccc(F)c1	ZINC000100250317	571069998	/nfs/dbraw/zinc/06/99/98/571069998.db2.gz	HAYCTPGCEYDLHU-OCKHKDLRSA-N	-1	3	368.202	4.374	40	30		FIEBHM
Cc1sc([N-]C(=S)NC(=O)c2cc3ccccc3o2)c(C#N)c1C	ZINC000016265848	571158250	/nfs/dbraw/zinc/15/82/50/571158250.db2.gz	JJCDCDMVXANNAI-UHFFFAOYSA-N	-1	3	355.444	4.110	40	30		FIEBHM
Cc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c1	ZINC000006860281	207172788	/nfs/dbraw/zinc/17/27/88/207172788.db2.gz	BILRBWSRBJSABJ-LBPRGKRZSA-N	-1	3	369.515	4.180	40	30		FIEBHM
C=CCc1cccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c1[O-]	ZINC000036231240	207269528	/nfs/dbraw/zinc/26/95/28/207269528.db2.gz	QUTHWDDCBINJBV-KSEXSDGBSA-N	-1	3	364.474	4.450	40	30		FIEBHM
O=C1Oc2ccccc2[C@H]1CC(=NNc1ccccc1)c1ccccc1[O-]	ZINC000104296619	527102245	/nfs/dbraw/zinc/10/22/45/527102245.db2.gz	WUJJORNPCJIZED-LTXLMFNASA-N	-1	3	358.397	4.301	40	30		FIEBHM
Cc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000001438440	570499945	/nfs/dbraw/zinc/49/99/45/570499945.db2.gz	SBWSBNGIVNGVMG-LJQANCHMSA-N	-1	3	359.381	4.371	40	30		FIEBHM
C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc([O-])cc1	ZINC000004924937	571102752	/nfs/dbraw/zinc/10/27/52/571102752.db2.gz	PVAPTDMGWHFMTQ-HNENSFHCSA-N	-1	3	353.403	4.249	40	30		FIEBHM
C=CCc1cc(/C=N/c2ccc(C(=O)OCC)cc2)cc(OCC)c1[O-]	ZINC000408855347	263501755	/nfs/dbraw/zinc/50/17/55/263501755.db2.gz	CJFHFDFUWMIMBL-HYARGMPZSA-N	-1	3	353.418	4.447	40	30		FIEBHM
O=C1Oc2ccccc2[C@@H]1CC(=NNc1ccccc1)c1ccccc1[O-]	ZINC000005832269	527102230	/nfs/dbraw/zinc/10/22/30/527102230.db2.gz	WUJJORNPCJIZED-SMKFHGBISA-N	-1	3	358.397	4.301	40	30		FIEBHM
O=C(COc1ccc(/C=N\[O-])cc1Cl)Nc1ccc(Cl)c(Cl)c1	ZINC000408555031	570551377	/nfs/dbraw/zinc/55/13/77/570551377.db2.gz	VAHBTRXVEMHBLL-GXHLCREISA-N	-1	3	373.623	4.472	40	30		FIEBHM
CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O	ZINC000409035603	570715574	/nfs/dbraw/zinc/71/55/74/570715574.db2.gz	JNFVWLIHQYTQQK-UHFFFAOYSA-N	-1	3	371.864	4.479	40	30		FIEBHM
CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1[O-]	ZINC000032115070	571056953	/nfs/dbraw/zinc/05/69/53/571056953.db2.gz	ASBPEBXURHJLDJ-FYJGNVAPSA-N	-1	3	360.841	4.032	40	30		FIEBHM
C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1[O-]	ZINC000002280426	570517944	/nfs/dbraw/zinc/51/79/44/570517944.db2.gz	IMTKZZBHOQVUNU-JAIQZWGSSA-N	-1	3	370.865	4.204	40	30		FIEBHM
CCOc1ccccc1/N=C\c1ccc([O-])c(I)c1	ZINC000408904552	570696566	/nfs/dbraw/zinc/69/65/66/570696566.db2.gz	LHIYTDJQBBFQQZ-YVLHZVERSA-N	-1	3	367.186	4.146	40	30		FIEBHM
Cc1ccc(/N=C\c2ccc([O-])c(I)c2)c(C)c1	ZINC000408904095	570696623	/nfs/dbraw/zinc/69/66/23/570696623.db2.gz	DPIIOUHJQGJMOC-MFOYZWKCSA-N	-1	3	351.187	4.364	40	30		FIEBHM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc([O-])c(Cl)c1	ZINC000409107286	570727022	/nfs/dbraw/zinc/72/70/22/570727022.db2.gz	RQCKDQISNHWRDJ-FBCYGCLPSA-N	-1	3	359.691	4.419	40	30		FIEBHM
CCOc1cc(/C=N/c2ccccc2)cc(I)c1[O-]	ZINC000005336064	570776400	/nfs/dbraw/zinc/77/64/00/570776400.db2.gz	AEMMLVLQLDQTRG-LICLKQGHSA-N	-1	3	367.186	4.146	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Cl)cc2)cc(CN(C)C)c1[O-]	ZINC000016958804	570864143	/nfs/dbraw/zinc/86/41/43/570864143.db2.gz	RMHPAPCELXPRMF-JXMROGBWSA-N	-1	3	372.896	4.065	40	30		FIEBHM
C=CCn1c(-c2cc(OC)ccc2OC)cs/c1=N/c1cccc([O-])c1	ZINC000102929256	571179852	/nfs/dbraw/zinc/17/98/52/571179852.db2.gz	GRTOUYIRJPZQLC-QZQOTICOSA-N	-1	3	368.458	4.358	40	30		FIEBHM
Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cc1	ZINC000006845034	207171016	/nfs/dbraw/zinc/17/10/16/207171016.db2.gz	YSQOVBFVUIMAEM-GFCCVEGCSA-N	-1	3	369.515	4.180	40	30		FIEBHM
[O-]c1c(OC(F)(F)C(F)(F)F)cccc1OC(F)(F)C(F)(F)F	ZINC000095676299	209084847	/nfs/dbraw/zinc/08/48/47/209084847.db2.gz	OWTOTSHECDFDLA-UHFFFAOYSA-N	-1	3	362.119	4.460	40	30		FIEBHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(Br)cc1	ZINC000011888726	263368458	/nfs/dbraw/zinc/36/84/58/263368458.db2.gz	FQNVVZVJJFYKNG-VCHYOVAHSA-N	-1	3	350.212	4.235	40	30		FIEBHM
Cc1cc(C)cc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCC3)c1	ZINC000017075781	263372238	/nfs/dbraw/zinc/37/22/38/263372238.db2.gz	WOTLURZASDISFL-UHFFFAOYSA-N	-1	3	369.515	4.242	40	30		FIEBHM
N#Cc1c([N-]C(=S)NC(=O)c2cccs2)sc2c1CCCCC2	ZINC000003096998	571344677	/nfs/dbraw/zinc/34/46/77/571344677.db2.gz	LLACGDGGZAAJSX-UHFFFAOYSA-N	-1	3	361.517	4.077	40	30		FIEBHM
S=c1[n-]c(NN=Cc2ccccc2OCc2ccccc2Cl)n[nH]1	ZINC000006336703	526388916	/nfs/dbraw/zinc/38/89/16/526388916.db2.gz	OVORHOAHSLROKJ-GIJQJNRQSA-N	-1	3	359.842	4.146	40	30		FIEBHM
COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000408899038	570696491	/nfs/dbraw/zinc/69/64/91/570696491.db2.gz	SARCXISZJFEWLW-UHFFFAOYSA-N	-1	3	374.820	4.182	40	30		FIEBHM
N#Cc1ccccc1[N-]C(=S)NC(=O)c1cccc2c(Cl)cccc12	ZINC000408625860	571319418	/nfs/dbraw/zinc/31/94/18/571319418.db2.gz	ZKKPWXXGSXHISP-UHFFFAOYSA-N	-1	3	365.845	4.492	40	30		FIEBHM
CCCC(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000408626349	571319421	/nfs/dbraw/zinc/31/94/21/571319421.db2.gz	GPYKWCQAMWKHMB-LLVKDONJSA-N	-1	3	363.552	4.384	40	30		FIEBHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(F)c3)sc2C1	ZINC000006764138	207163005	/nfs/dbraw/zinc/16/30/05/207163005.db2.gz	IJXDGHYLUAMVMY-SNVBAGLBSA-N	-1	3	373.478	4.010	40	30		FIEBHM
O=C1Oc2ccccc2[C@@H]1CC(=NNc1ccccc1)c1ccccc1[O-]	ZINC000017215533	527102473	/nfs/dbraw/zinc/10/24/73/527102473.db2.gz	WUJJORNPCJIZED-LNUHTHKGSA-N	-1	3	358.397	4.301	40	30		FIEBHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2)cc1	ZINC000001438437	570499867	/nfs/dbraw/zinc/49/98/67/570499867.db2.gz	QUVNTSWJKGSENO-IBGZPJMESA-N	-1	3	359.381	4.371	40	30		FIEBHM
CCOc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)ccc1[O-]	ZINC000408564245	570558340	/nfs/dbraw/zinc/55/83/40/570558340.db2.gz	XEGMKDSJLDZTFJ-DHZHZOJOSA-N	-1	3	370.348	4.250	40	30		FIEBHM
CCOc1ccc(/C=N\c2ccccc2[O-])cc1I	ZINC000408904108	570696618	/nfs/dbraw/zinc/69/66/18/570696618.db2.gz	DWLDKHDTNQEFNY-YVLHZVERSA-N	-1	3	367.186	4.146	40	30		FIEBHM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1	ZINC000020484149	570917470	/nfs/dbraw/zinc/91/74/70/570917470.db2.gz	HKYPWNHFCJYZPB-UHFFFAOYSA-N	-1	3	364.426	4.346	40	30		FIEBHM
O=C1[N-]/C(=N\N=C\c2ccc(Cl)cc2Cl)S[C@H]1c1ccccc1	ZINC000059474392	571090834	/nfs/dbraw/zinc/09/08/34/571090834.db2.gz	LZCFOYVSOHUEHE-FRSZACSASA-N	-1	3	364.257	4.288	40	30		FIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccccc1	ZINC000011961698	210102543	/nfs/dbraw/zinc/10/25/43/210102543.db2.gz	PENIMCWBIPZEOL-ZDLGFXPLSA-N	-1	3	350.212	4.235	40	30		FIEBHM
COc1ccc(NC(=O)c2oc3c(c2C)/C(=N\[O-])CC(C)(C)C3)c(OC)c1	ZINC000100931426	222257994	/nfs/dbraw/zinc/25/79/94/222257994.db2.gz	UVYIWPNRNUPAHA-HMAPJEAMSA-N	-1	3	372.421	4.008	40	30		FIEBHM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O	ZINC000409168905	263536272	/nfs/dbraw/zinc/53/62/72/263536272.db2.gz	VAYKYZIJHKUNEJ-LZYBPNLTSA-N	-1	3	370.817	4.154	40	30		FIEBHM
O=C1Oc2ccccc2[C@H]1CC(=NNc1ccccc1)c1ccccc1[O-]	ZINC000095550089	570470380	/nfs/dbraw/zinc/47/03/80/570470380.db2.gz	WUJJORNPCJIZED-VUSLFOADSA-N	-1	3	358.397	4.301	40	30		FIEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1	ZINC000223666465	570524454	/nfs/dbraw/zinc/52/44/54/570524454.db2.gz	XRUFYPQIKNAHCO-UHFFFAOYSA-N	-1	3	373.474	4.156	40	30		FIEBHM
Cc1sc([N-]C(=S)NC(=O)c2cccc(OC(C)C)c2)c(C#N)c1C	ZINC000408627579	571319425	/nfs/dbraw/zinc/31/94/25/571319425.db2.gz	LVUZBTFYXRLMMH-UHFFFAOYSA-N	-1	3	373.503	4.151	40	30		FIEBHM
Cc1c(/N=C\c2c([O-])ccc3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000100271054	222240586	/nfs/dbraw/zinc/24/05/86/222240586.db2.gz	SFKAWDFUODXKKF-UCQKPKSFSA-N	-1	3	357.413	4.094	40	30		FIEBHM
CCOc1ccc(/C=N/c2ccc([O-])cc2)cc1I	ZINC000408903919	570696712	/nfs/dbraw/zinc/69/67/12/570696712.db2.gz	BEYBGEUJMYMOGZ-LICLKQGHSA-N	-1	3	367.186	4.146	40	30		FIEBHM
Cc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)c1	ZINC000006860280	571319643	/nfs/dbraw/zinc/31/96/43/571319643.db2.gz	BILRBWSRBJSABJ-GFCCVEGCSA-N	-1	3	369.515	4.180	40	30		FIEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCc1cccc(Br)c1	ZINC000226325926	522009560	/nfs/dbraw/zinc/00/95/60/522009560.db2.gz	DPGGERABPZTFQG-LSCVHKIXSA-N	-1	3	370.630	4.498	40	30		FIEBHM
CCc1c(C)sc([N-]C(=O)c2cc(-c3cccc(O)c3)on2)c1C#N	ZINC000020191328	523719146	/nfs/dbraw/zinc/71/91/46/523719146.db2.gz	SCUVIRKOYJGCRB-UHFFFAOYSA-N	-1	3	353.403	4.104	40	30		FIEBHM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1c([O-])ccc2ccccc21	ZINC000005511158	523909016	/nfs/dbraw/zinc/90/90/16/523909016.db2.gz	MDNMFTYLHUGKLN-NFCNUSAFSA-N	-1	3	372.424	4.230	40	30		FIEBHM
CCOc1cc(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2OC)c1[O-]	ZINC000006595490	570650077	/nfs/dbraw/zinc/65/00/77/570650077.db2.gz	VVCMVTPCGPRLDK-GIJQJNRQSA-N	-1	3	350.758	4.112	40	30		FIEBHM
C=CCc1cc(/C=N/c2ccc(C(=O)OC)cc2C)cc(OCC)c1[O-]	ZINC000408851922	570692073	/nfs/dbraw/zinc/69/20/73/570692073.db2.gz	BPVXWLCOIORSLJ-LPYMAVHISA-N	-1	3	353.418	4.365	40	30		FIEBHM
CCOc1cc(-c2c(C#N)c(N)nc3c2C[C@@H](C(C)(C)C)CC3)ccc1[O-]	ZINC000036202059	571244976	/nfs/dbraw/zinc/24/49/76/571244976.db2.gz	KOMFXVFBYYUAME-AWEZNQCLSA-N	-1	3	365.477	4.458	40	30		FIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccccc1F	ZINC000100250321	210083446	/nfs/dbraw/zinc/08/34/46/210083446.db2.gz	JDWRKXJQUHPWNI-OCKHKDLRSA-N	-1	3	368.202	4.374	40	30		FIEBHM
CC(C)C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000408624154	571319416	/nfs/dbraw/zinc/31/94/16/571319416.db2.gz	BGMNHYMHNZUXOG-LLVKDONJSA-N	-1	3	363.552	4.240	40	30		FIEBHM
N#Cc1ccccc1[N-]C(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1	ZINC000059294068	571356687	/nfs/dbraw/zinc/35/66/87/571356687.db2.gz	XNKVJKUTNVCEQM-ACCUITESSA-N	-1	3	373.437	4.345	40	30		FIEBHM
COc1cc(/C=C2/S/C(=N\c3ccccc3C)NC2=O)cc(Cl)c1[O-]	ZINC000004647033	210079015	/nfs/dbraw/zinc/07/90/15/210079015.db2.gz	IOOLPOIASMERND-OQLLNIDSSA-N	-1	3	374.849	4.254	40	30		FIEBHM
COc1ccc(OC)c(NC(=O)c2oc3c(c2C)/C(=N/[O-])CC(C)(C)C3)c1	ZINC000013556039	211039723	/nfs/dbraw/zinc/03/97/23/211039723.db2.gz	XGYRECIIYGSKLW-HYARGMPZSA-N	-1	3	372.421	4.008	40	30		FIEBHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1C1CCCCC1	ZINC000001088901	210315492	/nfs/dbraw/zinc/31/54/92/210315492.db2.gz	LILNRAQFQLWKEF-NDENLUEZSA-N	-1	3	352.463	4.356	40	30		FIEBHM
CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000100250336	222239490	/nfs/dbraw/zinc/23/94/90/222239490.db2.gz	HVMBOGBSRQAJOO-NVMNQCDNSA-N	-1	3	350.758	4.034	40	30		FIEBHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000006824575	571319600	/nfs/dbraw/zinc/31/96/00/571319600.db2.gz	VWXOUZKNZOZSCL-JTQLQIEISA-N	-1	3	373.478	4.010	40	30		FIEBHM
[O-]c1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000019682370	211244205	/nfs/dbraw/zinc/24/42/05/211244205.db2.gz	ADUBFULRLIEADB-UQQQWYQISA-N	-1	3	369.468	4.114	40	30		FIEBHM
Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cc1	ZINC000006845036	210711090	/nfs/dbraw/zinc/71/10/90/210711090.db2.gz	YSQOVBFVUIMAEM-LBPRGKRZSA-N	-1	3	369.515	4.180	40	30		FIEBHM
CCOC(=O)c1sc([N-]C(=O)c2ccco2)c(C#N)c1-c1ccccc1	ZINC000409122395	571319519	/nfs/dbraw/zinc/31/95/19/571319519.db2.gz	XXGICPHRGBYZSB-UHFFFAOYSA-N	-1	3	366.398	4.309	40	30		FIEBHM
NC(=O)c1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1CCCC2	ZINC000003114481	571344865	/nfs/dbraw/zinc/34/48/65/571344865.db2.gz	MZPLFZNYYNXGPB-SSDVNMTOSA-N	-1	3	350.443	4.335	40	30		FIEBHM
O=[N+]([O-])c1ccc([O-])c(C=NNc2c3ccccc3nc3ccccc32)c1	ZINC000017428431	211185737	/nfs/dbraw/zinc/18/57/37/211185737.db2.gz	FHLGDQDRBAZTID-CIAFOILYSA-N	-1	3	358.357	4.448	40	30		FIEBHM
COc1cc(C=NNc2ccc(Br)cc2)cc(Cl)c1[O-]	ZINC000015008833	211113701	/nfs/dbraw/zinc/11/37/01/211113701.db2.gz	QAJABSPPXZZMHJ-CAOOACKPSA-N	-1	3	355.619	4.263	40	30		FIEBHM
[O-]c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000001183731	210332343	/nfs/dbraw/zinc/33/23/43/210332343.db2.gz	VSPLZTPGJAKDAX-LSCVHKIXSA-N	-1	3	365.245	4.128	40	30		FIEBHM
COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1[O-]	ZINC000009195216	570692706	/nfs/dbraw/zinc/69/27/06/570692706.db2.gz	XQWOFOSAESRVPU-FBCYGCLPSA-N	-1	3	359.640	4.485	40	30		FIEBHM
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/[O-])cc2Cl)cc1	ZINC000409225918	570741977	/nfs/dbraw/zinc/74/19/77/570741977.db2.gz	SUCODWASSRFYGP-UFWORHAWSA-N	-1	3	353.205	4.127	40	30		FIEBHM
O=C(COc1c(Cl)cc(/C=N\[O-])cc1Cl)Nc1ccccc1Cl	ZINC000409272734	570747567	/nfs/dbraw/zinc/74/75/67/570747567.db2.gz	RXYXEGCCJNDYPD-GXHLCREISA-N	-1	3	373.623	4.472	40	30		FIEBHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccccc2)c1	ZINC000001431193	210352645	/nfs/dbraw/zinc/35/26/45/210352645.db2.gz	DCTKZDDAXOIRCS-IBGZPJMESA-N	-1	3	359.381	4.371	40	30		FIEBHM
CC(CC/C(=N\[O-])c1ccccc1)(CC/C(=N\O)c1ccccc1)[N+](=O)[O-]	ZINC000104252923	520149874	/nfs/dbraw/zinc/14/98/74/520149874.db2.gz	SJOBLYMBGXOYQZ-MGJZZARISA-N	-1	3	369.421	4.339	40	30		FIEBHM
COc1cccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CCC4)no2)c1	ZINC000004880816	570553779	/nfs/dbraw/zinc/55/37/79/570553779.db2.gz	RMFLQASLEHGJGV-UHFFFAOYSA-N	-1	3	365.414	4.024	40	30		FIEBHM
O=C(/C(=C/c1ccccc1[O-])n1cncn1)c1ccc(Cl)cc1Cl	ZINC000004832805	570609266	/nfs/dbraw/zinc/60/92/66/570609266.db2.gz	AIWWEMYUASRHHD-CHHVJCJISA-N	-1	3	360.200	4.172	40	30		FIEBHM
COc1cc(/C=N/c2ccccc2C)cc(I)c1[O-]	ZINC000003068580	571146796	/nfs/dbraw/zinc/14/67/96/571146796.db2.gz	SVYMRSGCWBKYEP-RQZCQDPDSA-N	-1	3	367.186	4.064	40	30		FIEBHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(F)c3)sc2C1	ZINC000006824571	571319661	/nfs/dbraw/zinc/31/96/61/571319661.db2.gz	IJXDGHYLUAMVMY-JTQLQIEISA-N	-1	3	373.478	4.010	40	30		FIEBHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000006764142	219767523	/nfs/dbraw/zinc/76/75/23/219767523.db2.gz	VWXOUZKNZOZSCL-SNVBAGLBSA-N	-1	3	373.478	4.010	40	30		FIEBHM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1c([O-])ccc2ccccc21	ZINC000005334571	263340137	/nfs/dbraw/zinc/34/01/37/263340137.db2.gz	MDNMFTYLHUGKLN-PFRKPPGBSA-N	-1	3	372.424	4.230	40	30		FIEBHM
Cc1sc([N-]C(=S)NC(=O)c2ccc(C(C)C)cc2)c(C#N)c1C	ZINC000014257829	570522988	/nfs/dbraw/zinc/52/29/88/570522988.db2.gz	GNRGESTXWDLOIV-UHFFFAOYSA-N	-1	3	357.504	4.487	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C/c2cccc(Cl)c2)cc(CN(C)C)c1[O-]	ZINC000016958868	220197959	/nfs/dbraw/zinc/19/79/59/220197959.db2.gz	UJJOHVTVDSYXAP-CMDGGOBGSA-N	-1	3	372.896	4.065	40	30		FIEBHM
C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccccc1[O-]	ZINC000019791117	220295276	/nfs/dbraw/zinc/29/52/76/220295276.db2.gz	ZITRVRHEEJBNHL-MOHJPFBDSA-N	-1	3	359.473	4.087	40	30		FIEBHM
COc1ccc([C@H](C)/N=C/c2cc(Br)ccc2[O-])cc1OC	ZINC000057411957	221088907	/nfs/dbraw/zinc/08/89/07/221088907.db2.gz	VQTHZYYGRAJUFY-VSMYLPJWSA-N	-1	3	364.239	4.352	40	30		FIEBHM
O=[N+]([O-])c1ccc([O-])c(C=NNc2c3ccccc3nc3ccccc32)c1	ZINC000104093211	222350791	/nfs/dbraw/zinc/35/07/91/222350791.db2.gz	FHLGDQDRBAZTID-MTJSOVHGSA-N	-1	3	358.357	4.448	40	30		FIEBHM
[O-]c1ccc(Br)cc1CN=Nc1ncc(-c2ccccc2)cn1	ZINC000004713096	570670607	/nfs/dbraw/zinc/67/06/07/570670607.db2.gz	NJQDSAXXNJUAOZ-SRZZPIQSSA-N	-1	3	369.222	4.058	40	30		FIEBHM
O=C(COc1c(Cl)cc(/C=N/[O-])cc1Cl)Nc1ccc(Cl)cc1	ZINC000409218556	570741735	/nfs/dbraw/zinc/74/17/35/570741735.db2.gz	FYQWUOFLTUHMOW-FBCYGCLPSA-N	-1	3	373.623	4.472	40	30		FIEBHM
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2Cl)c1C	ZINC000409257128	570746798	/nfs/dbraw/zinc/74/67/98/570746798.db2.gz	QVVWJJJBTSFQHI-ZBKNUEDVSA-N	-1	3	367.232	4.436	40	30		FIEBHM
Cc1ccc(NC(=O)COc2ccc(/C=N\[O-])cc2Cl)cc1Cl	ZINC000409252805	570747031	/nfs/dbraw/zinc/74/70/31/570747031.db2.gz	DXJBEEGERPPHBE-UWVJOHFNSA-N	-1	3	353.205	4.127	40	30		FIEBHM
COc1cc(/C=N/[O-])cc(Br)c1OCc1ccccc1Cl	ZINC000011956536	263368970	/nfs/dbraw/zinc/36/89/70/263368970.db2.gz	CNBRSHIGTKVZSE-QGMBQPNBSA-N	-1	3	370.630	4.498	40	30		FIEBHM
[O-]c1ccc(/C=N\c2ccc(Cl)cc2)cc1I	ZINC000408965602	263510533	/nfs/dbraw/zinc/51/05/33/263510533.db2.gz	WGLJNQRXFNLHBH-PXNMLYILSA-N	-1	3	357.578	4.401	40	30		FIEBHM
CC(C)COc1c(Br)cc(/C=N/[O-])cc1Br	ZINC000409054968	570717559	/nfs/dbraw/zinc/71/75/59/570717559.db2.gz	HMFDYRXXISMUFS-LHHJGKSTSA-N	-1	3	351.038	4.055	40	30		FIEBHM
COc1cccc(/N=C/c2cc(I)cc(C)c2[O-])c1	ZINC000016269563	220180889	/nfs/dbraw/zinc/18/08/89/220180889.db2.gz	DATANYSTSICDTF-RQZCQDPDSA-N	-1	3	367.186	4.064	40	30		FIEBHM
Cn1c2cc(Br)ccc2nc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000005728785	570634245	/nfs/dbraw/zinc/63/42/45/570634245.db2.gz	HUJZYYFXLPEOES-QGMBQPNBSA-N	-1	3	364.630	4.445	40	30		FIEBHM
CCc1ccc(/N=C2/NC(=O)/C(=C\c3cc(Cl)ccc3[O-])S2)cc1	ZINC000006555754	570649354	/nfs/dbraw/zinc/64/93/54/570649354.db2.gz	DVFYUKYAOZHPCN-MHWRWJLKSA-N	-1	3	358.850	4.500	40	30		FIEBHM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Cl)ccc2[O-])S1	ZINC000408855255	570693300	/nfs/dbraw/zinc/69/33/00/570693300.db2.gz	AYGNSZMBKYBWIG-SXGWCWSVSA-N	-1	3	374.849	4.254	40	30		FIEBHM
Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2Cl)cc1C	ZINC000409265940	570747127	/nfs/dbraw/zinc/74/71/27/570747127.db2.gz	WZUOAYFJYVZDNH-ZBKNUEDVSA-N	-1	3	367.232	4.436	40	30		FIEBHM
Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\[O-])cc2Cl)c1	ZINC000409270973	570747589	/nfs/dbraw/zinc/74/75/89/570747589.db2.gz	SJGOARUBLMNZIM-UWVJOHFNSA-N	-1	3	353.205	4.127	40	30		FIEBHM
CCOc1cc(/C=N\[O-])ccc1OCc1cccc(Br)c1	ZINC000216853351	520647766	/nfs/dbraw/zinc/64/77/66/520647766.db2.gz	ZDDMQCYRQZSMIU-ZDLGFXPLSA-N	-1	3	350.212	4.235	40	30		FIEBHM
CN(C)Cc1cc(C(=O)/C=C\c2cccc(Cl)c2)cc(CN(C)C)c1[O-]	ZINC000005822394	570636708	/nfs/dbraw/zinc/63/67/08/570636708.db2.gz	UJJOHVTVDSYXAP-HJWRWDBZSA-N	-1	3	372.896	4.065	40	30		FIEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1	ZINC000408682278	570644048	/nfs/dbraw/zinc/64/40/48/570644048.db2.gz	WFRVQPSMHALLFP-UHFFFAOYSA-N	-1	3	361.463	4.184	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1C	ZINC000408740882	570687574	/nfs/dbraw/zinc/68/75/74/570687574.db2.gz	NIATWEYZYRSECC-YODDIOPGSA-N	-1	3	370.250	4.499	40	30		FIEBHM
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409070891	570719426	/nfs/dbraw/zinc/71/94/26/570719426.db2.gz	MHXMUNZNIPYOIJ-UDWIEESQSA-N	-1	3	356.378	4.109	40	30		FIEBHM
Cc1sc([N-]C(=S)NC(=O)c2ccc(C)c(Cl)c2)c(C#N)c1C	ZINC000408627574	571319441	/nfs/dbraw/zinc/31/94/41/571319441.db2.gz	LVODZWIMSUXQRV-UHFFFAOYSA-N	-1	3	363.895	4.325	40	30		FIEBHM
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)ccc2[O-])c1	ZINC000005841430	570637196	/nfs/dbraw/zinc/63/71/96/570637196.db2.gz	IUHFJWJHNQDWET-VXLYETTFSA-N	-1	3	361.239	4.500	40	30		FIEBHM
COc1ccc(OC)c(/N=C/c2cc(Br)cc(C)c2[O-])c1	ZINC000005540138	570679363	/nfs/dbraw/zinc/67/93/63/570679363.db2.gz	RCURJPAEUBLHSI-GIJQJNRQSA-N	-1	3	350.212	4.231	40	30		FIEBHM
Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCC3)cc1C	ZINC000005795116	571111697	/nfs/dbraw/zinc/11/16/97/571111697.db2.gz	UHGXGKZVEUFNMZ-UHFFFAOYSA-N	-1	3	369.515	4.242	40	30		FIEBHM
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(N)=O)CCCC3)c([O-])c1	ZINC000000818410	219325699	/nfs/dbraw/zinc/32/56/99/219325699.db2.gz	SELWHQIWWISFOR-WSDLNYQXSA-N	-1	3	371.506	4.028	40	30		FIEBHM
COc1cc(/C=N\[O-])cc(Br)c1OCc1cccc(Cl)c1	ZINC000015987986	220174799	/nfs/dbraw/zinc/17/47/99/220174799.db2.gz	YNYSTURMCZSFIZ-LSCVHKIXSA-N	-1	3	370.630	4.498	40	30		FIEBHM
N#CCCSc1nc2nc(-c3ccccc3[O-])cc(-c3ccccc3)n2n1	ZINC000020635879	526464036	/nfs/dbraw/zinc/46/40/36/526464036.db2.gz	DOKHXYKPFZUPQT-UHFFFAOYSA-N	-1	3	373.441	4.170	40	30		FIEBHM
[O-]c1ccc(Br)cc1C=NN1CC(c2ccccc2)=NC1=S	ZINC000006211013	570461230	/nfs/dbraw/zinc/46/12/30/570461230.db2.gz	BKIQGNQIFZCROQ-GIJQJNRQSA-N	-1	3	374.263	4.189	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1	ZINC000408740749	570687660	/nfs/dbraw/zinc/68/76/60/570687660.db2.gz	MFJJZIHXVPSPFZ-YDDPGSGASA-N	-1	3	356.223	4.190	40	30		FIEBHM
O=[N+]([O-])c1cccc(C=NN=c2[n-]c(-c3ccc(Cl)cc3)cs2)c1	ZINC000005569033	570777210	/nfs/dbraw/zinc/77/72/10/570777210.db2.gz	JKFJFYRWENNKSU-GIJQJNRQSA-N	-1	3	358.810	4.240	40	30		FIEBHM
O=C1[N-]/C(=N\N=C\c2ccc(Cl)cc2Cl)S[C@@H]1c1ccccc1	ZINC000059474390	571090575	/nfs/dbraw/zinc/09/05/75/571090575.db2.gz	LZCFOYVSOHUEHE-MRGVZLDZSA-N	-1	3	364.257	4.288	40	30		FIEBHM
Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\[O-])cc1Cl	ZINC000008571329	571302011	/nfs/dbraw/zinc/30/20/11/571302011.db2.gz	UXLZZGSOUFDIHI-UWVJOHFNSA-N	-1	3	353.205	4.127	40	30		FIEBHM
CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)cc1	ZINC000005872831	263343698	/nfs/dbraw/zinc/34/36/98/263343698.db2.gz	QYLSUJSTDNFCNP-YBEGLDIGSA-N	-1	3	374.849	4.336	40	30		FIEBHM
CC(CC/C(=N/[O-])c1ccccc1)(CC/C(=N/O)c1ccccc1)[N+](=O)[O-]	ZINC000018008563	520149573	/nfs/dbraw/zinc/14/95/73/520149573.db2.gz	SJOBLYMBGXOYQZ-FRRVGIRPSA-N	-1	3	369.421	4.339	40	30		FIEBHM
COc1ccccc1-c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)no1	ZINC000004880863	570553920	/nfs/dbraw/zinc/55/39/20/570553920.db2.gz	PHUULEWACYAQCG-UHFFFAOYSA-N	-1	3	365.414	4.024	40	30		FIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Br)cc1C	ZINC000408740880	570687479	/nfs/dbraw/zinc/68/74/79/570687479.db2.gz	NIATWEYZYRSECC-MBTVCVBTSA-N	-1	3	370.250	4.499	40	30		FIEBHM
C=CCc1cc(/C=N/c2cccc(C(=O)OC)c2C)cc(OCC)c1[O-]	ZINC000408859056	570693652	/nfs/dbraw/zinc/69/36/52/570693652.db2.gz	VHIHMAPPDABMBM-LPYMAVHISA-N	-1	3	353.418	4.365	40	30		FIEBHM
CCOc1cccc(/N=C\c2ccc([O-])c(I)c2)c1	ZINC000408905132	570696431	/nfs/dbraw/zinc/69/64/31/570696431.db2.gz	UDDSJIYYEPLBHJ-YVLHZVERSA-N	-1	3	367.186	4.146	40	30		FIEBHM
CCOc1cc(-c2c(C#N)c(N)nc3c2C[C@H](C(C)(C)C)CC3)ccc1[O-]	ZINC000036202065	571244932	/nfs/dbraw/zinc/24/49/32/571244932.db2.gz	KOMFXVFBYYUAME-CQSZACIVSA-N	-1	3	365.477	4.458	40	30		FIEBHM
N#Cc1c([N-]C(=O)c2ccco2)sc2c1CCN(Cc1ccccc1)C2	ZINC000021345870	571334223	/nfs/dbraw/zinc/33/42/23/571334223.db2.gz	DXFPLTKHNXLFNW-UHFFFAOYSA-N	-1	3	363.442	4.023	40	30		FIEBHM