smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C=C(/C#N)C(=O)[O-])cnc1Cl	ZINC000308834438	963308567	/nfs/dbraw/zinc/30/85/67/963308567.db2.gz	HNJLSFKPFRKIFW-BAQGIRSFSA-N	-1	0	222.631	2.035	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cnc2ccsc2c1	ZINC000736127261	978305001	/nfs/dbraw/zinc/30/50/01/978305001.db2.gz	UJDVSGYIJKSGSF-UHFFFAOYSA-N	-1	0	235.268	2.288	20	50		BEGDRM
CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC001595626892	981765446	/nfs/dbraw/zinc/76/54/46/981765446.db2.gz	FWFAWVJPFMPTOV-UHFFFAOYSA-N	-1	0	236.271	2.018	20	50		BEGDRM
N#C/C(=C\c1ccnc2ccccc12)C(=O)[O-]	ZINC000169042690	959397702	/nfs/dbraw/zinc/39/77/02/959397702.db2.gz	UPJCRZBRLAMSAH-JXMROGBWSA-N	-1	0	224.219	2.226	20	50		BEGDRM
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)[O-]	ZINC000190220848	959509126	/nfs/dbraw/zinc/50/91/26/959509126.db2.gz	OCMQVMGDGPHDJI-GHXNOFRVSA-N	-1	0	243.262	2.467	20	50		BEGDRM
CCOc1ccccc1/C=C(/C#N)C(=O)[O-]	ZINC000201356506	959638787	/nfs/dbraw/zinc/63/87/87/959638787.db2.gz	YVBSNUUUWLTBDH-YFHOEESVSA-N	-1	0	217.224	2.077	20	50		BEGDRM
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000209246484	959672074	/nfs/dbraw/zinc/67/20/74/959672074.db2.gz	QADJHTJSDLHQDH-IYNMRSRQSA-N	-1	0	244.206	2.143	20	50		BEGDRM
COc1ccccc1/C=C/C=C(/C#N)C(=O)[O-]	ZINC000211378501	959683004	/nfs/dbraw/zinc/68/30/04/959683004.db2.gz	VFWWAEKMCAAEPX-JWVBWWOWSA-N	-1	0	229.235	2.243	20	50		BEGDRM
CC(CSC(C)(C)C)=NNC(=O)[O-]	ZINC000736606766	978345020	/nfs/dbraw/zinc/34/50/20/978345020.db2.gz	HCZVBFPUECIWMX-UHFFFAOYSA-N	-1	0	204.295	2.162	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])o1	ZINC000736869995	978363759	/nfs/dbraw/zinc/36/37/59/978363759.db2.gz	UGTBZKKZBVGMMR-HWPCKVLBSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CCc1nc(C)c(C(C)=NNC(=O)[O-])s1	ZINC000737282482	978394211	/nfs/dbraw/zinc/39/42/11/978394211.db2.gz	ZISZIBQJGVLQSO-UHFFFAOYSA-N	-1	0	227.289	2.006	20	50		BEGDRM
CCC1(C(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC001595366472	980815224	/nfs/dbraw/zinc/81/52/24/980815224.db2.gz	KODKKHBLCNAXCG-UHFFFAOYSA-N	-1	0	248.282	2.018	20	50		BEGDRM
C/C(C#N)=C/COc1ccc(C(=O)[O-])cc1C=O	ZINC001589323935	986152134	/nfs/dbraw/zinc/15/21/34/986152134.db2.gz	RRPVBWGPHQQOCT-WTKPLQERSA-N	-1	0	245.234	2.046	20	50		BEGDRM
C[C@H]1CCc2c(F)cccc2C1=NNC(=O)[O-]	ZINC000828309896	601433032	/nfs/dbraw/zinc/43/30/32/601433032.db2.gz	GXYLCBCHXNFFAL-ZETCQYMHSA-N	-1	0	236.246	2.380	20	50		BEGDRM
CCO[C@H]1CC(=NNC(=O)[O-])C1(CC)CC	ZINC000829918842	601433414	/nfs/dbraw/zinc/43/34/14/601433414.db2.gz	UOQDHSRODBFZOY-VIFPVBQESA-N	-1	0	228.292	2.225	20	50		BEGDRM
CN(N=Cc1cccc(Cl)c1F)C(=O)[O-]	ZINC000828434389	604345859	/nfs/dbraw/zinc/34/58/59/604345859.db2.gz	ASDQVZJLEKWKCU-UHFFFAOYSA-N	-1	0	230.626	2.423	20	50		BEGDRM
CN(N=Cc1cnc(C2CCC2)s1)C(=O)[O-]	ZINC000828435103	604419700	/nfs/dbraw/zinc/41/97/00/604419700.db2.gz	XNXUJNAIYHYNIQ-UHFFFAOYSA-N	-1	0	239.300	2.354	20	50		BEGDRM
C[C@H](c1ccc(C(=O)[O-])o1)N1CC=C(C#N)CC1	ZINC000833546487	605546725	/nfs/dbraw/zinc/54/67/25/605546725.db2.gz	HGVPHZHQEIDHMS-SECBINFHSA-N	-1	0	246.266	2.194	20	50		BEGDRM
CSSCCNc1cccc(C(=O)[O-])n1	ZINC000397838052	951573324	/nfs/dbraw/zinc/57/33/24/951573324.db2.gz	PGWNWSWUPOUMCB-UHFFFAOYSA-N	-1	0	244.341	2.203	20	50		BEGDRM
N#C/C(=C/c1c(F)cccc1Cl)C(=O)[O-]	ZINC000006320833	956876393	/nfs/dbraw/zinc/87/63/93/956876393.db2.gz	GVSQWRAAGCVKJI-XQRVVYSFSA-N	-1	0	225.606	2.471	20	50		BEGDRM
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)[O-])o1	ZINC000008117301	956884175	/nfs/dbraw/zinc/88/41/75/956884175.db2.gz	TYRCVCZWPMXNHW-LVDIUJJISA-N	-1	0	217.224	2.395	20	50		BEGDRM
Cc1ccc(C)c(/C=C(/C#N)C(=O)[O-])c1	ZINC000042204894	957406495	/nfs/dbraw/zinc/40/64/95/957406495.db2.gz	HZVMYXRXQKZIKE-WDZFZDKYSA-N	-1	0	201.225	2.295	20	50		BEGDRM
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)[O-]	ZINC000209246987	959673305	/nfs/dbraw/zinc/67/33/05/959673305.db2.gz	WNGSOGMZKIISKO-XFFZJAGNSA-N	-1	0	231.251	2.465	20	50		BEGDRM
Cc1ccc(F)cc1/C=C(/C#N)C(=O)[O-]	ZINC000226433976	959877529	/nfs/dbraw/zinc/87/75/29/959877529.db2.gz	DXKPNTFGWAAOGG-WTKPLQERSA-N	-1	0	205.188	2.126	20	50		BEGDRM
COc1ccc(/C=C(\C#N)C(=O)[O-])c(Cl)c1	ZINC000309692774	963365658	/nfs/dbraw/zinc/36/56/58/963365658.db2.gz	QHVCJXAZRIPNLD-XBXARRHUSA-N	-1	0	237.642	2.340	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccoc1C(=O)[O-]	ZINC000736868220	978363065	/nfs/dbraw/zinc/36/30/65/978363065.db2.gz	HTDIXSQSEWPONE-NDVARNPJSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CCC(Cc1cccs1)=NNC(=O)[O-]	ZINC000736908649	978365752	/nfs/dbraw/zinc/36/57/52/978365752.db2.gz	WTPGIKIMEZNCIV-UHFFFAOYSA-N	-1	0	212.274	2.324	20	50		BEGDRM
COc1ccc(Cl)cc1C(C)=NNC(=O)[O-]	ZINC000738017470	978466677	/nfs/dbraw/zinc/46/66/77/978466677.db2.gz	YRQNXSGBVULLAM-UHFFFAOYSA-N	-1	0	242.662	2.340	20	50		BEGDRM
Cc1ccccc1C(=NNC(=O)[O-])C1CC1	ZINC000738323734	978516466	/nfs/dbraw/zinc/51/64/66/978516466.db2.gz	NENGKCPOVZPKJT-UHFFFAOYSA-N	-1	0	218.256	2.377	20	50		BEGDRM
N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-]	ZINC000739062549	978615484	/nfs/dbraw/zinc/61/54/84/978615484.db2.gz	UXDRTLTVIZXVGY-POHAHGRESA-N	-1	0	239.234	2.068	20	50		BEGDRM
CCC(=O)NN=C(C)[C@H](C)CCCCC(=O)[O-]	ZINC000814708524	978875163	/nfs/dbraw/zinc/87/51/63/978875163.db2.gz	MZWWAEKQUQACOP-SECBINFHSA-N	-1	0	242.319	2.170	20	50		BEGDRM
N#C/C(=C/c1cc(C(=O)[O-])co1)C(=O)C1CCC1	ZINC000899352088	980228145	/nfs/dbraw/zinc/22/81/45/980228145.db2.gz	ZQHXUBUHTXQJLG-WTKPLQERSA-N	-1	0	245.234	2.254	20	50		BEGDRM
CC/C(C)=C\C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001594860483	982137628	/nfs/dbraw/zinc/13/76/28/982137628.db2.gz	HRWAPFIVXBNMHW-CLFYSBASSA-N	-1	0	248.282	2.184	20	50		BEGDRM
CCc1cccc(C(=O)[O-])c1NC(=O)CCl	ZINC001597574122	988360451	/nfs/dbraw/zinc/36/04/51/988360451.db2.gz	ZNEDPVKJBYJLHB-UHFFFAOYSA-N	-1	0	241.674	2.125	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])[nH]1	ZINC000828700376	601331229	/nfs/dbraw/zinc/33/12/29/601331229.db2.gz	KZARLYQBCXWMBI-GTUWVTDSSA-N	-1	0	246.266	2.235	20	50		BEGDRM
N#CC(C#N)=CNc1cc(C(=O)[O-])ccc1Cl	ZINC000833064189	601350423	/nfs/dbraw/zinc/35/04/23/601350423.db2.gz	PHPAZFUGGRLAAI-UHFFFAOYSA-N	-1	0	247.641	2.381	20	50		BEGDRM
CN(N=C[C@@H]1CCOc2ccccc21)C(=O)[O-]	ZINC000828434431	603726664	/nfs/dbraw/zinc/72/66/64/603726664.db2.gz	BIBPAOSIBPIDJV-VIFPVBQESA-N	-1	0	234.255	2.148	20	50		BEGDRM
CN(N=Cc1ccc(F)c2cccnc12)C(=O)[O-]	ZINC000828434796	604304792	/nfs/dbraw/zinc/30/47/92/604304792.db2.gz	MZIAFOABJWBUKW-UHFFFAOYSA-N	-1	0	247.229	2.318	20	50		BEGDRM
C[C@@H]1C(=NNC(=O)[O-])C[C@H]1c1ccccc1	ZINC000825777940	605236865	/nfs/dbraw/zinc/23/68/65/605236865.db2.gz	FPLRLTKLZAFUDG-WCBMZHEXSA-N	-1	0	218.256	2.434	20	50		BEGDRM
O=C([O-])NN=CCCCOc1ccccc1	ZINC000834250299	606046492	/nfs/dbraw/zinc/04/64/92/606046492.db2.gz	GEDIBPBNKGUXOM-UHFFFAOYSA-N	-1	0	222.244	2.099	20	50		BEGDRM
O=C([O-])NN=Cc1ccc(OC(F)F)c(F)c1	ZINC000834250150	606018830	/nfs/dbraw/zinc/01/88/30/606018830.db2.gz	CLXDGOPJWOLPOZ-UHFFFAOYSA-N	-1	0	248.160	2.029	20	50		BEGDRM
CC(C)Oc1cccc(/C=C(/C#N)C(=O)[O-])c1	ZINC000040640954	957379154	/nfs/dbraw/zinc/37/91/54/957379154.db2.gz	IXONSRGPRSTGIC-WDZFZDKYSA-N	-1	0	231.251	2.465	20	50		BEGDRM
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000143703286	958984279	/nfs/dbraw/zinc/98/42/79/958984279.db2.gz	QTMYOWSILOKRPW-LZCJLJQNSA-N	-1	0	227.141	2.095	20	50		BEGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])cc(C)c1O	ZINC000208640132	959669273	/nfs/dbraw/zinc/66/92/73/959669273.db2.gz	GEFFAJQTYAPWRS-YHYXMXQVSA-N	-1	0	217.224	2.001	20	50		BEGDRM
C=CCC(=NNC(=O)[O-])c1ccc(F)cc1	ZINC000736095773	978302625	/nfs/dbraw/zinc/30/26/25/978302625.db2.gz	BEYLIEZNDFDSOT-UHFFFAOYSA-N	-1	0	222.219	2.374	20	50		BEGDRM
N#C/C(=C\c1nccc2ccccc21)C(=O)[O-]	ZINC000738418137	978535842	/nfs/dbraw/zinc/53/58/42/978535842.db2.gz	FSEUYKKZCYSNQZ-JXMROGBWSA-N	-1	0	224.219	2.226	20	50		BEGDRM
CCn1nc(/C=C(/C#N)C(=O)[O-])c2ccccc21	ZINC000769718775	978742364	/nfs/dbraw/zinc/74/23/64/978742364.db2.gz	UXXYGKYZTPJPGL-CLFYSBASSA-N	-1	0	241.250	2.048	20	50		BEGDRM
C[C@@H](CN(C)/C(=C/C#N)c1ccccc1)C(=O)[O-]	ZINC000827433035	601144465	/nfs/dbraw/zinc/14/44/65/601144465.db2.gz	TWEZDNNPRYGZER-ZWSXMNCCSA-N	-1	0	244.294	2.204	20	50		BEGDRM
CCCCO[C@H]1CC(=NNC(=O)[O-])C1(C)C	ZINC000829412906	601336494	/nfs/dbraw/zinc/33/64/94/601336494.db2.gz	DPDKMSGIJTWECP-VIFPVBQESA-N	-1	0	228.292	2.225	20	50		BEGDRM
CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1	ZINC000826131277	601789292	/nfs/dbraw/zinc/78/92/92/601789292.db2.gz	ZIPMVNRHFZZKRK-RUDMXATFSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CCc1nc2c(s1)C(=NNC(=O)[O-])CCC2	ZINC000827635039	603603162	/nfs/dbraw/zinc/60/31/62/603603162.db2.gz	ADVKMUYNMGBURN-UHFFFAOYSA-N	-1	0	239.300	2.014	20	50		BEGDRM
O=C([O-])NN=Cc1cc(Cl)cc2cccnc12	ZINC000832744333	604285179	/nfs/dbraw/zinc/28/51/79/604285179.db2.gz	KDJDXZGNMVIOGV-UHFFFAOYSA-N	-1	0	249.657	2.490	20	50		BEGDRM
O=C([O-])NN=C1CC(c2ccc(F)cc2)C1	ZINC000832745596	604303918	/nfs/dbraw/zinc/30/39/18/604303918.db2.gz	ZVKRYDNVBNQBDY-UHFFFAOYSA-N	-1	0	222.219	2.327	20	50		BEGDRM
COc1ccc2oc(C=NNC(=O)[O-])cc2c1	ZINC000833734839	605026688	/nfs/dbraw/zinc/02/66/88/605026688.db2.gz	GNDJQRFHYABSHI-UHFFFAOYSA-N	-1	0	234.211	2.043	20	50		BEGDRM
O=C([O-])NN=Cc1cccc(-c2cccnc2)c1	ZINC000832745109	605453669	/nfs/dbraw/zinc/45/36/69/605453669.db2.gz	SSJVUGCOCPRJHB-UHFFFAOYSA-N	-1	0	241.250	2.350	20	50		BEGDRM
CCCN(CC(=O)[O-])/C(=C/C#N)c1ccccc1	ZINC001589660294	949862975	/nfs/dbraw/zinc/86/29/75/949862975.db2.gz	JJSYBAUEFJRMHJ-MDWZMJQESA-N	-1	0	244.294	2.348	20	50		BEGDRM
N#C/C(=C/c1csc(C2CC2)n1)C(=O)[O-]	ZINC000380084857	971674078	/nfs/dbraw/zinc/67/40/78/971674078.db2.gz	HGZRECGSIGKNCI-CLTKARDFSA-N	-1	0	220.253	2.012	20	50		BEGDRM
COc1ccccc1/C=C/C=C(\C#N)C(=O)[O-]	ZINC000007155469	956880069	/nfs/dbraw/zinc/88/00/69/956880069.db2.gz	VFWWAEKMCAAEPX-RQBRCHNQSA-N	-1	0	229.235	2.243	20	50		BEGDRM
Cc1ccc(C)c(/C=C(\C#N)C(=O)[O-])c1	ZINC000007155454	956880469	/nfs/dbraw/zinc/88/04/69/956880469.db2.gz	HZVMYXRXQKZIKE-IZZDOVSWSA-N	-1	0	201.225	2.295	20	50		BEGDRM
N#C/C(=C\c1cccc(Cl)c1F)C(=O)[O-]	ZINC000131030229	958741386	/nfs/dbraw/zinc/74/13/86/958741386.db2.gz	CIAGRSKJYCEMFV-QPJJXVBHSA-N	-1	0	225.606	2.471	20	50		BEGDRM
N#C/C(=C\c1ccsc1Cl)C(=O)[O-]	ZINC000306458821	963197773	/nfs/dbraw/zinc/19/77/73/963197773.db2.gz	DAGCYGJAZGYZLN-ZZXKWVIFSA-N	-1	0	213.645	2.393	20	50		BEGDRM
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000739076393	978616175	/nfs/dbraw/zinc/61/61/75/978616175.db2.gz	ZWMWTRSQAYDLPU-UXBLZVDNSA-N	-1	0	240.218	2.333	20	50		BEGDRM
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)[O-]	ZINC000739076381	978616277	/nfs/dbraw/zinc/61/62/77/978616277.db2.gz	ZWMWTRSQAYDLPU-POHAHGRESA-N	-1	0	240.218	2.333	20	50		BEGDRM
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)[O-]	ZINC000759116312	978705502	/nfs/dbraw/zinc/70/55/02/978705502.db2.gz	OFNALUDVYSWFLM-RMKNXTFCSA-N	-1	0	242.209	2.365	20	50		BEGDRM
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000765501862	978723925	/nfs/dbraw/zinc/72/39/25/978723925.db2.gz	YTLNYPRWFBHIQG-XQRVVYSFSA-N	-1	0	242.156	2.092	20	50		BEGDRM
Cn1cc(/C=C(\C#N)C(=O)[O-])c(C2CCCC2)n1	ZINC000905012249	981086247	/nfs/dbraw/zinc/08/62/47/981086247.db2.gz	GXDBJSSGQULHDQ-UXBLZVDNSA-N	-1	0	245.282	2.069	20	50		BEGDRM
COc1c(C)cc(/C=C(\C#N)C(=O)[O-])cc1C	ZINC000920397553	982692805	/nfs/dbraw/zinc/69/28/05/982692805.db2.gz	OPDQQMMRZVSBNJ-IZZDOVSWSA-N	-1	0	231.251	2.304	20	50		BEGDRM
C=C(CC)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001588605418	983692660	/nfs/dbraw/zinc/69/26/60/983692660.db2.gz	DYMSVADAFJDEPQ-UHFFFAOYSA-N	-1	0	248.282	2.103	20	50		BEGDRM
C/C(C#N)=C\CSc1ncccc1C(=O)[O-]	ZINC001589324225	986155265	/nfs/dbraw/zinc/15/52/65/986155265.db2.gz	YKHUYJFLNXGGQB-XBXARRHUSA-N	-1	0	234.280	2.342	20	50		BEGDRM
C/C=C(/C)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594675150	987000124	/nfs/dbraw/zinc/00/01/24/987000124.db2.gz	YVUPHUYSQSZEEZ-YWEYNIOJSA-N	-1	0	248.282	2.103	20	50		BEGDRM
Cc1ccc(NC=C(C#N)C#N)cc1C(=O)[O-]	ZINC000832949263	601294639	/nfs/dbraw/zinc/29/46/39/601294639.db2.gz	SDQBNSBLUYDOMU-UHFFFAOYSA-N	-1	0	227.223	2.036	20	50		BEGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1ccccn1	ZINC000833064964	601789832	/nfs/dbraw/zinc/78/98/32/601789832.db2.gz	YQUQCVDZCSYXMX-BJMVGYQFSA-N	-1	0	239.234	2.172	20	50		BEGDRM
CC(C)CC(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1	ZINC000826747011	601790260	/nfs/dbraw/zinc/79/02/60/601790260.db2.gz	FLZAWUSPNAXXBD-WMZJFQQLSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC(C)Cc1ccc(C=NNC(=O)[O-])cc1	ZINC000826912811	601803146	/nfs/dbraw/zinc/80/31/46/601803146.db2.gz	HTEBRRQGEOLXOL-UHFFFAOYSA-N	-1	0	220.272	2.487	20	50		BEGDRM
N#C/C=C\COc1ccc(C(=O)[O-])cc1Cl	ZINC000833061996	601991309	/nfs/dbraw/zinc/99/13/09/601991309.db2.gz	IKNRTBFWNAFDHN-UPHRSURJSA-N	-1	0	237.642	2.497	20	50		BEGDRM
CCCCC[C@H](C(=O)NNC(=O)[O-])C(C)C	ZINC000826821238	604157402	/nfs/dbraw/zinc/15/74/02/604157402.db2.gz	SABAWKXKJOFOPZ-VIFPVBQESA-N	-1	0	230.308	2.138	20	50		BEGDRM
Cc1ccc2c(c1)OCCCC2=NNC(=O)[O-]	ZINC000830446256	604285424	/nfs/dbraw/zinc/28/54/24/604285424.db2.gz	NDAAKOHMWONXDA-UHFFFAOYSA-N	-1	0	234.255	2.139	20	50		BEGDRM
C[C@@H](CC=NNC(=O)[O-])c1ccccc1	ZINC000833802855	606045602	/nfs/dbraw/zinc/04/56/02/606045602.db2.gz	FPBIPWMJQFIUBY-VIFPVBQESA-N	-1	0	206.245	2.434	20	50		BEGDRM
CC1(C)Cc2occc2C(=NNC(=O)[O-])C1	ZINC000736726315	978353058	/nfs/dbraw/zinc/35/30/58/978353058.db2.gz	IIVXPURDGJDRSR-UHFFFAOYSA-N	-1	0	222.244	2.224	20	50		BEGDRM
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)[O-]	ZINC000023718531	957157732	/nfs/dbraw/zinc/15/77/32/957157732.db2.gz	WNGSOGMZKIISKO-YRNVUSSQSA-N	-1	0	231.251	2.465	20	50		BEGDRM
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)[O-]	ZINC000037406633	957277801	/nfs/dbraw/zinc/27/78/01/957277801.db2.gz	ZMSRJXUDZZCXRL-CSKARUKUSA-N	-1	0	246.266	2.261	20	50		BEGDRM
COc1c(C)cc(/C=C(/C#N)C(=O)[O-])cc1C	ZINC000049065665	957472318	/nfs/dbraw/zinc/47/23/18/957472318.db2.gz	OPDQQMMRZVSBNJ-WDZFZDKYSA-N	-1	0	231.251	2.304	20	50		BEGDRM
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)[O-])c2O1	ZINC000078005630	957754241	/nfs/dbraw/zinc/75/42/41/957754241.db2.gz	VOINRKKLYORTRS-WDZFZDKYSA-N	-1	0	243.262	2.392	20	50		BEGDRM
Cc1ccc(F)c(/C=C(\C#N)C(=O)[O-])c1	ZINC000308772680	963302183	/nfs/dbraw/zinc/30/21/83/963302183.db2.gz	QYVYURSZDHTBBP-WEVVVXLNSA-N	-1	0	205.188	2.126	20	50		BEGDRM
COc1ccc2c(c1)C(=NNC(=O)[O-])CCC2	ZINC000738073626	978473645	/nfs/dbraw/zinc/47/36/45/978473645.db2.gz	JBEFGNJTNOJFPT-UHFFFAOYSA-N	-1	0	234.255	2.003	20	50		BEGDRM
O=C([O-])NN=Cc1cccc(OC(F)(F)F)c1	ZINC000738659429	978583274	/nfs/dbraw/zinc/58/32/74/978583274.db2.gz	ZWEMPEOEZLOCDW-UHFFFAOYSA-N	-1	0	248.160	2.187	20	50		BEGDRM
N#CC(C#N)=CNc1ccc(F)c(NC(=O)[O-])c1	ZINC000739076251	978616219	/nfs/dbraw/zinc/61/62/19/978616219.db2.gz	ZEVUECCFASGHHK-UHFFFAOYSA-N	-1	0	246.201	2.259	20	50		BEGDRM
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)[O-]	ZINC000782880211	978793080	/nfs/dbraw/zinc/79/30/80/978793080.db2.gz	LJVIUVFGQVBMEG-YCRREMRBSA-N	-1	0	249.653	2.266	20	50		BEGDRM
CC/C(C)=C\C(=O)NNc1ccccc1C(=O)[O-]	ZINC001594860960	982142742	/nfs/dbraw/zinc/14/27/42/982142742.db2.gz	STOLMPOBLQQTAY-HJWRWDBZSA-N	-1	0	248.282	2.184	20	50		BEGDRM
CCOc1ccc(/C=C(/C#N)C(=O)[O-])c(C)c1	ZINC001597082159	986632197	/nfs/dbraw/zinc/63/21/97/986632197.db2.gz	XRCLYYMGHRBFRI-XFFZJAGNSA-N	-1	0	231.251	2.385	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1	ZINC000828700377	601331392	/nfs/dbraw/zinc/33/13/92/601331392.db2.gz	KZARLYQBCXWMBI-HWPCKVLBSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC(C)CC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1	ZINC000826747010	601790307	/nfs/dbraw/zinc/79/03/07/601790307.db2.gz	FLZAWUSPNAXXBD-ONNFQVAWSA-N	-1	0	246.266	2.235	20	50		BEGDRM
O=C([O-])NN=C1CCc2cc(Cl)ccc21	ZINC000832745177	603631769	/nfs/dbraw/zinc/63/17/69/603631769.db2.gz	UEFRHHMUWJDINV-UHFFFAOYSA-N	-1	0	224.647	2.258	20	50		BEGDRM
O=C([O-])NN=C1Cc2ccc(Cl)cc2C1	ZINC000832744177	603632025	/nfs/dbraw/zinc/63/20/25/603632025.db2.gz	HUFVHWNFXIJGTO-UHFFFAOYSA-N	-1	0	224.647	2.062	20	50		BEGDRM
O=C([O-])NN=CCCCCOc1ccccc1	ZINC000832744329	604010865	/nfs/dbraw/zinc/01/08/65/604010865.db2.gz	JYVJBNUIZCFYQF-UHFFFAOYSA-N	-1	0	236.271	2.489	20	50		BEGDRM
CC(C)c1ncc(C=NN(C)C(=O)[O-])s1	ZINC000824495061	604018123	/nfs/dbraw/zinc/01/81/23/604018123.db2.gz	DFJGOOGVOHQFPL-UHFFFAOYSA-N	-1	0	227.289	2.210	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cc2c(s1)CCC2	ZINC000823531839	604671147	/nfs/dbraw/zinc/67/11/47/604671147.db2.gz	DQMPUXBFADJXIW-UHFFFAOYSA-N	-1	0	224.285	2.228	20	50		BEGDRM
C[C@H]1C(=NNC(=O)[O-])C[C@@H]1c1ccccc1	ZINC000825777939	605236816	/nfs/dbraw/zinc/23/68/16/605236816.db2.gz	FPLRLTKLZAFUDG-SCZZXKLOSA-N	-1	0	218.256	2.434	20	50		BEGDRM
O=C([O-])NN=C/C=C\c1ccc(F)cc1	ZINC000834250087	605676317	/nfs/dbraw/zinc/67/63/17/605676317.db2.gz	BSRKYOHOPKGQLI-WBBNMCRWSA-N	-1	0	208.192	2.092	20	50		BEGDRM
O=C([O-])NN=C[C@H]1C[C@@H]1c1ccccc1	ZINC000834250292	606046544	/nfs/dbraw/zinc/04/65/44/606046544.db2.gz	GDHFLWJIXBOEIU-NXEZZACHSA-N	-1	0	204.229	2.044	20	50		BEGDRM
N#C/C(=C\c1cscc1Cl)C(=O)[O-]	ZINC000307669528	963222404	/nfs/dbraw/zinc/22/24/04/963222404.db2.gz	SMSXSAHFHZGADI-ORCRQEGFSA-N	-1	0	213.645	2.393	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000736120821	978303299	/nfs/dbraw/zinc/30/32/99/978303299.db2.gz	DIGFIFVYACYVPO-UHFFFAOYSA-N	-1	0	232.161	2.096	20	50		BEGDRM
Cc1cc(NC=C(C#N)C#N)ccc1C(=O)[O-]	ZINC000738453348	955241207	/nfs/dbraw/zinc/24/12/07/955241207.db2.gz	YQHHXLUQWOEJBB-UHFFFAOYSA-N	-1	0	227.223	2.036	20	50		BEGDRM
N#C/C(=C\c1occc1Br)C(=O)[O-]	ZINC000211623574	959694831	/nfs/dbraw/zinc/69/48/31/959694831.db2.gz	QSJKBFNKDBDRFA-HWKANZROSA-N	-1	0	242.028	2.034	20	50		BEGDRM
CC1(C)Cc2cccc(C=NNC(=O)[O-])c2O1	ZINC000736736354	978353640	/nfs/dbraw/zinc/35/36/40/978353640.db2.gz	CKHNKGDBEUVCNH-UHFFFAOYSA-N	-1	0	234.255	2.002	20	50		BEGDRM
Cc1ccc2[nH]cc(C=NNC(=O)[O-])c2c1	ZINC000738296279	978513454	/nfs/dbraw/zinc/51/34/54/978513454.db2.gz	VCGZLGWQUKEEON-UHFFFAOYSA-N	-1	0	217.228	2.078	20	50		BEGDRM
N#C/C(=C/c1nccc2ccccc21)C(=O)[O-]	ZINC000738418141	978535636	/nfs/dbraw/zinc/53/56/36/978535636.db2.gz	FSEUYKKZCYSNQZ-YFHOEESVSA-N	-1	0	224.219	2.226	20	50		BEGDRM
O=C([O-])NN=Cc1cc2cc(F)ccc2o1	ZINC000738659014	978582706	/nfs/dbraw/zinc/58/27/06/978582706.db2.gz	OWGVQNKUVAPSSV-UHFFFAOYSA-N	-1	0	222.175	2.173	20	50		BEGDRM
N#CC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-]	ZINC000739062550	978615497	/nfs/dbraw/zinc/61/54/97/978615497.db2.gz	UXDRTLTVIZXVGY-UXBLZVDNSA-N	-1	0	239.234	2.068	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])[nH]1	ZINC000828700375	601331407	/nfs/dbraw/zinc/33/14/07/601331407.db2.gz	KZARLYQBCXWMBI-CYXIBPNKSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC1(C)CC(=NNC(=O)[O-])c2ccccc2O1	ZINC000828051616	601332339	/nfs/dbraw/zinc/33/23/39/601332339.db2.gz	ZUPHHYNGYHLBIA-UHFFFAOYSA-N	-1	0	234.255	2.219	20	50		BEGDRM
N#CC(C#N)=CNc1cc(Cl)ccc1C(=O)[O-]	ZINC000833062483	601350570	/nfs/dbraw/zinc/35/05/70/601350570.db2.gz	CAIFIGITVDXBLA-UHFFFAOYSA-N	-1	0	247.641	2.381	20	50		BEGDRM
O=C([O-])NN=C1CC(c2ccccc2F)C1	ZINC000832744950	603631803	/nfs/dbraw/zinc/63/18/03/603631803.db2.gz	QRITXAYVURLMNX-UHFFFAOYSA-N	-1	0	222.219	2.327	20	50		BEGDRM
N#CC(C#N)=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000831065821	603810401	/nfs/dbraw/zinc/81/04/01/603810401.db2.gz	SJEPHOZVEWSWKP-UHFFFAOYSA-N	-1	0	239.234	2.158	20	50		BEGDRM
O=C([O-])NN=Cc1cnc(C2CCC2)s1	ZINC000832744301	604418427	/nfs/dbraw/zinc/41/84/27/604418427.db2.gz	JDIVYTMGSBPPSR-UHFFFAOYSA-N	-1	0	225.273	2.012	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cc(C)ccc1F	ZINC000833384768	605026012	/nfs/dbraw/zinc/02/60/12/605026012.db2.gz	MLSPUJAGJKVASA-UHFFFAOYSA-N	-1	0	210.208	2.126	20	50		BEGDRM
C[C@@H]1C(=NNC(=O)[O-])C[C@@H]1c1ccccc1	ZINC000825777941	605237032	/nfs/dbraw/zinc/23/70/32/605237032.db2.gz	FPLRLTKLZAFUDG-WPRPVWTQSA-N	-1	0	218.256	2.434	20	50		BEGDRM
O=C([O-])NN=C(C[C@H]1CCOC1)c1ccccc1	ZINC000834250567	605992834	/nfs/dbraw/zinc/99/28/34/605992834.db2.gz	KMHMUXOFXRQZLG-SNVBAGLBSA-N	-1	0	248.282	2.085	20	50		BEGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])cnc1Cl	ZINC000308834439	963308490	/nfs/dbraw/zinc/30/84/90/963308490.db2.gz	HNJLSFKPFRKIFW-FPYGCLRLSA-N	-1	0	222.631	2.035	20	50		BEGDRM
CC(C)CO[C@H]1CC(=NNC(=O)[O-])C1(C)C	ZINC000736443308	978334998	/nfs/dbraw/zinc/33/49/98/978334998.db2.gz	IKWMPQFMDFMTKQ-VIFPVBQESA-N	-1	0	228.292	2.081	20	50		BEGDRM
CC(C)Oc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000037742791	957326329	/nfs/dbraw/zinc/32/63/29/957326329.db2.gz	PSAQQRIVNFMHEO-YRNVUSSQSA-N	-1	0	231.251	2.465	20	50		BEGDRM
N#C/C(=C/c1ccccc1OCC1CC1)C(=O)[O-]	ZINC000049065669	957472436	/nfs/dbraw/zinc/47/24/36/957472436.db2.gz	ZJJGVPCHMAUHTD-GHXNOFRVSA-N	-1	0	243.262	2.467	20	50		BEGDRM
COc1cc(/C=C(/C#N)C(=O)[O-])ccc1SC	ZINC000049487874	957477685	/nfs/dbraw/zinc/47/76/85/957477685.db2.gz	FSHMGBADMRUJFT-UITAMQMPSA-N	-1	0	249.291	2.409	20	50		BEGDRM
CC(C)Oc1cccc(/C=C(\C#N)C(=O)[O-])c1	ZINC000103880848	958360513	/nfs/dbraw/zinc/36/05/13/958360513.db2.gz	IXONSRGPRSTGIC-IZZDOVSWSA-N	-1	0	231.251	2.465	20	50		BEGDRM
Cc1ccc(/C=C(/C#N)C(=O)[O-])c(C)c1	ZINC000199567133	959633539	/nfs/dbraw/zinc/63/35/39/959633539.db2.gz	SRSXUIJYPIPSIF-WDZFZDKYSA-N	-1	0	201.225	2.295	20	50		BEGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])ccc1F	ZINC000220110536	959799391	/nfs/dbraw/zinc/79/93/91/959799391.db2.gz	UFXPSBHBJPPVID-WEVVVXLNSA-N	-1	0	205.188	2.126	20	50		BEGDRM
N#C/C(=C/c1ccc2occc2c1)C(=O)[O-]	ZINC000309541433	963355774	/nfs/dbraw/zinc/35/57/74/963355774.db2.gz	GKONUKKIBBPTSO-POHAHGRESA-N	-1	0	213.192	2.424	20	50		BEGDRM
CSSCCNc1cc(C(=O)[O-])ccn1	ZINC000397876068	973030306	/nfs/dbraw/zinc/03/03/06/973030306.db2.gz	LTBOXBYCFIZXFG-UHFFFAOYSA-N	-1	0	244.341	2.203	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccoc1C(=O)[O-]	ZINC000736868222	978362744	/nfs/dbraw/zinc/36/27/44/978362744.db2.gz	HTDIXSQSEWPONE-VSBFRKNKSA-N	-1	0	247.250	2.500	20	50		BEGDRM
O=C([O-])NN=Cc1cnc(-c2ccccc2)s1	ZINC000738659377	978583541	/nfs/dbraw/zinc/58/35/41/978583541.db2.gz	XUGIEUUJRPEUSY-UHFFFAOYSA-N	-1	0	247.279	2.412	20	50		BEGDRM
CC(C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])co1	ZINC000899347789	980227199	/nfs/dbraw/zinc/22/71/99/980227199.db2.gz	FHFIHRIIBDEAMD-FPYGCLRLSA-N	-1	0	233.223	2.110	20	50		BEGDRM
Cc1oc(/C=C(/C#N)C(=O)C(C)C)cc1C(=O)[O-]	ZINC000899344820	980227562	/nfs/dbraw/zinc/22/75/62/980227562.db2.gz	ZKZBEWBRIXWSTR-WTKPLQERSA-N	-1	0	247.250	2.418	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])co1	ZINC000899353004	980228356	/nfs/dbraw/zinc/22/83/56/980228356.db2.gz	SJNGFJBSJQHSOT-DHFUWRPHSA-N	-1	0	247.250	2.500	20	50		BEGDRM
C/C(C#N)=C\COc1ccc(C(=O)[O-])cc1C=O	ZINC001589323934	986151985	/nfs/dbraw/zinc/15/19/85/986151985.db2.gz	RRPVBWGPHQQOCT-RUDMXATFSA-N	-1	0	245.234	2.046	20	50		BEGDRM
C[C@H](CN(C)/C(=C/C#N)c1ccccc1)C(=O)[O-]	ZINC000827433033	601144303	/nfs/dbraw/zinc/14/43/03/601144303.db2.gz	TWEZDNNPRYGZER-KAQJVSAMSA-N	-1	0	244.294	2.204	20	50		BEGDRM
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1	ZINC000826130006	601329620	/nfs/dbraw/zinc/32/96/20/601329620.db2.gz	DNNQQJHZNXXAHW-VURMDHGXSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1	ZINC000828700029	601790273	/nfs/dbraw/zinc/79/02/73/601790273.db2.gz	FLADADVXOQDRHM-OPWUTIMJSA-N	-1	0	246.266	2.235	20	50		BEGDRM
Cc1cc(C)c2c(c1)C(=NNC(=O)[O-])CCCO2	ZINC000832874089	601952223	/nfs/dbraw/zinc/95/22/23/601952223.db2.gz	GQYUAFYAIJJXDB-UHFFFAOYSA-N	-1	0	248.282	2.448	20	50		BEGDRM
CC(Cc1ccccc1C)=NNC(=O)[O-]	ZINC000825024115	603629907	/nfs/dbraw/zinc/62/99/07/603629907.db2.gz	PGEBCFLKOYTXFY-UHFFFAOYSA-N	-1	0	206.245	2.181	20	50		BEGDRM
CCN(C)c1ccc(C(C)=NNC(=O)[O-])cc1	ZINC000826992673	603762945	/nfs/dbraw/zinc/76/29/45/603762945.db2.gz	RLXKNSGVMUCCJW-UHFFFAOYSA-N	-1	0	235.287	2.134	20	50		BEGDRM
CC(=NNC(=O)[O-])c1ccc2ccccc2n1	ZINC000823532430	603824934	/nfs/dbraw/zinc/82/49/34/603824934.db2.gz	KCTHMOVUVSADAC-UHFFFAOYSA-N	-1	0	229.239	2.226	20	50		BEGDRM
CC(Cc1cccc(F)c1)=NNC(=O)[O-]	ZINC000825024143	604302901	/nfs/dbraw/zinc/30/29/01/604302901.db2.gz	PPDLIIZGQATIII-UHFFFAOYSA-N	-1	0	210.208	2.012	20	50		BEGDRM
O=C([O-])NN=Cc1cnc(C2CCCC2)s1	ZINC000832743905	605238979	/nfs/dbraw/zinc/23/89/79/605238979.db2.gz	DKXKHDAFXZKUIT-UHFFFAOYSA-N	-1	0	239.300	2.402	20	50		BEGDRM
O=C([O-])NN=Cc1cscc1Cl	ZINC000832743922	605460687	/nfs/dbraw/zinc/46/06/87/605460687.db2.gz	FQANRZCMIQNZTE-UHFFFAOYSA-N	-1	0	204.638	2.003	20	50		BEGDRM
CC(C)=C(C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833462507	605771607	/nfs/dbraw/zinc/77/16/07/605771607.db2.gz	CSMMDFARLHWOFY-UHFFFAOYSA-N	-1	0	248.282	2.184	20	50		BEGDRM
CC(=NNC(=O)[O-])c1ccc(F)cc1Cl	ZINC000736122781	978304747	/nfs/dbraw/zinc/30/47/47/978304747.db2.gz	YRNZCNVCPSSBCE-UHFFFAOYSA-N	-1	0	230.626	2.471	20	50		BEGDRM
N#C/C(=C/c1cncc2ccccc12)C(=O)[O-]	ZINC000379575454	971644026	/nfs/dbraw/zinc/64/40/26/971644026.db2.gz	ZASBYAFKDSGSDM-YHYXMXQVSA-N	-1	0	224.219	2.226	20	50		BEGDRM
CCCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000011757509	956892380	/nfs/dbraw/zinc/89/23/80/956892380.db2.gz	WBUHGTHUBVPUAZ-DHZHZOJOSA-N	-1	0	231.251	2.467	20	50		BEGDRM
CC(C)c1ncc(/C=C(/C#N)C(=O)[O-])s1	ZINC000389854829	972252599	/nfs/dbraw/zinc/25/25/99/972252599.db2.gz	AJGNYIGNBYVARC-CLTKARDFSA-N	-1	0	222.269	2.258	20	50		BEGDRM
C#CCCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000049065664	957472273	/nfs/dbraw/zinc/47/22/73/957472273.db2.gz	PWJFJGWZCQMZCP-XFXZXTDPSA-N	-1	0	241.246	2.080	20	50		BEGDRM
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)[O-]	ZINC000128673502	958677099	/nfs/dbraw/zinc/67/70/99/958677099.db2.gz	TYBFCUSUQFIADD-LZCJLJQNSA-N	-1	0	227.141	2.095	20	50		BEGDRM
C=CCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000209246893	959674094	/nfs/dbraw/zinc/67/40/94/959674094.db2.gz	ISESJUUODFMEDH-FLIBITNWSA-N	-1	0	229.235	2.243	20	50		BEGDRM
CC(C)Oc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000210385204	959674883	/nfs/dbraw/zinc/67/48/83/959674883.db2.gz	PSAQQRIVNFMHEO-XFFZJAGNSA-N	-1	0	231.251	2.465	20	50		BEGDRM
Cc1cc(F)ccc1/C=C(\C#N)C(=O)[O-]	ZINC000220126530	959799504	/nfs/dbraw/zinc/79/95/04/959799504.db2.gz	QBDPDJXLMFYBBJ-WEVVVXLNSA-N	-1	0	205.188	2.126	20	50		BEGDRM
COc1ccc(/C=C(/C#N)C(=O)[O-])c(Cl)c1	ZINC000309692777	963364891	/nfs/dbraw/zinc/36/48/91/963364891.db2.gz	QHVCJXAZRIPNLD-YWEYNIOJSA-N	-1	0	237.642	2.340	20	50		BEGDRM
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)[O-])s1	ZINC000736303903	978318725	/nfs/dbraw/zinc/31/87/25/978318725.db2.gz	RKVMRFSCIJHPMR-DAXSKMNVSA-N	-1	0	236.296	2.432	20	50		BEGDRM
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)[O-])o1	ZINC000736767505	978354751	/nfs/dbraw/zinc/35/47/51/978354751.db2.gz	ZTUKPAQMPXOVLB-SVRRBLITSA-N	-1	0	208.217	2.005	20	50		BEGDRM
COc1cc(C)c(/C=C(\C#N)C(=O)[O-])cc1OC	ZINC000751442771	978692079	/nfs/dbraw/zinc/69/20/79/978692079.db2.gz	BPPWLTCJJYQFFP-BJMVGYQFSA-N	-1	0	247.250	2.004	20	50		BEGDRM
COc1ccc(/C=C(\C#N)C(=O)[O-])c(C)c1OC	ZINC000806554310	978850091	/nfs/dbraw/zinc/85/00/91/978850091.db2.gz	QCJBFWPITKURDE-UXBLZVDNSA-N	-1	0	247.250	2.004	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])co1	ZINC000899353007	980228244	/nfs/dbraw/zinc/22/82/44/980228244.db2.gz	SJNGFJBSJQHSOT-ZKUGPGMGSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CN(N=Cc1cc(F)c(F)cc1F)C(=O)[O-]	ZINC000828434665	605239617	/nfs/dbraw/zinc/23/96/17/605239617.db2.gz	INNSJEHRPFMMAB-UHFFFAOYSA-N	-1	0	232.161	2.048	20	50		BEGDRM
C[C@H](C=NNC(=O)[O-])Cc1ccccc1	ZINC000833515425	605324096	/nfs/dbraw/zinc/32/40/96/605324096.db2.gz	HLTGKADWBYKMON-VIFPVBQESA-N	-1	0	206.245	2.119	20	50		BEGDRM
C=CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833373618	605721301	/nfs/dbraw/zinc/72/13/01/605721301.db2.gz	URKDALSUBRUUAB-UHFFFAOYSA-N	-1	0	248.282	2.184	20	50		BEGDRM
C[C@H](CC=NNC(=O)[O-])c1ccccc1	ZINC000833802854	606045606	/nfs/dbraw/zinc/04/56/06/606045606.db2.gz	FPBIPWMJQFIUBY-SECBINFHSA-N	-1	0	206.245	2.434	20	50		BEGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])cc(C)c1O	ZINC000007155572	956880412	/nfs/dbraw/zinc/88/04/12/956880412.db2.gz	GEFFAJQTYAPWRS-BJMVGYQFSA-N	-1	0	217.224	2.001	20	50		BEGDRM
COc1ccc(/C=C(/C#N)C(=O)[O-])cc1Cl	ZINC000033700521	957188490	/nfs/dbraw/zinc/18/84/90/957188490.db2.gz	RNAVRFMVJTUERY-YWEYNIOJSA-N	-1	0	237.642	2.340	20	50		BEGDRM
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000043388627	957430655	/nfs/dbraw/zinc/43/06/55/957430655.db2.gz	IAFCNHAPONHUFQ-CLTKARDFSA-N	-1	0	225.606	2.471	20	50		BEGDRM
Cc1cn2c(nc(C)c2/C=C(/C#N)C(=O)[O-])s1	ZINC000208455251	959669867	/nfs/dbraw/zinc/66/98/67/959669867.db2.gz	CJRADKJEEIISPD-BAQGIRSFSA-N	-1	0	247.279	2.004	20	50		BEGDRM
CC1(C)Cc2cc(C=NNC(=O)[O-])ccc2O1	ZINC000736737826	978353884	/nfs/dbraw/zinc/35/38/84/978353884.db2.gz	YPJUCJMHORCMFC-UHFFFAOYSA-N	-1	0	234.255	2.002	20	50		BEGDRM
CC1(c2ccccc2)CC(=NNC(=O)[O-])C1	ZINC000736740494	978353892	/nfs/dbraw/zinc/35/38/92/978353892.db2.gz	CQYUPGRAIUWACP-UHFFFAOYSA-N	-1	0	218.256	2.362	20	50		BEGDRM
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)[O-])o1	ZINC000736767511	978354817	/nfs/dbraw/zinc/35/48/17/978354817.db2.gz	ZTUKPAQMPXOVLB-XPUUQOCRSA-N	-1	0	208.217	2.005	20	50		BEGDRM
CCO[C@@H]1CC(=NNC(=O)[O-])C12CCCCC2	ZINC000737157825	978383753	/nfs/dbraw/zinc/38/37/53/978383753.db2.gz	ODOFWTRWDVMXBB-SNVBAGLBSA-N	-1	0	240.303	2.369	20	50		BEGDRM
C/C=C(\C)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594675147	987000266	/nfs/dbraw/zinc/00/02/66/987000266.db2.gz	YVUPHUYSQSZEEZ-XBXARRHUSA-N	-1	0	248.282	2.103	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1	ZINC000828700030	601790181	/nfs/dbraw/zinc/79/01/81/601790181.db2.gz	FLADADVXOQDRHM-YXSUAUNDSA-N	-1	0	246.266	2.235	20	50		BEGDRM
Cc1ccc(OC(F)F)c(C=NNC(=O)[O-])c1	ZINC000830400149	603604030	/nfs/dbraw/zinc/60/40/30/603604030.db2.gz	GWZOFTLXGOIKBF-UHFFFAOYSA-N	-1	0	244.197	2.198	20	50		BEGDRM
Cc1ccccc1C1CC(=NNC(=O)[O-])C1	ZINC000830560451	603631159	/nfs/dbraw/zinc/63/11/59/603631159.db2.gz	XOBMZWWEENNMRR-UHFFFAOYSA-N	-1	0	218.256	2.496	20	50		BEGDRM
O=C([O-])NN=Cc1ccc(Cl)c2cccnc12	ZINC000832744708	604418469	/nfs/dbraw/zinc/41/84/69/604418469.db2.gz	NUASCSDQDZUBQX-UHFFFAOYSA-N	-1	0	249.657	2.490	20	50		BEGDRM
O=C([O-])NN=C1CCSc2c(F)cccc21	ZINC000832744490	605243575	/nfs/dbraw/zinc/24/35/75/605243575.db2.gz	LKPAGHLMVQDNCL-UHFFFAOYSA-N	-1	0	240.259	2.293	20	50		BEGDRM
C[C@@H](C=NNC(=O)[O-])Cc1ccccc1	ZINC000833515424	605324668	/nfs/dbraw/zinc/32/46/68/605324668.db2.gz	HLTGKADWBYKMON-SECBINFHSA-N	-1	0	206.245	2.119	20	50		BEGDRM
CC1(C(=O)NNc2cccc(C(=O)[O-])c2)CCC1	ZINC000833553577	605733420	/nfs/dbraw/zinc/73/34/20/605733420.db2.gz	UXGNAKYEZXRKHQ-UHFFFAOYSA-N	-1	0	248.282	2.018	20	50		BEGDRM
O=C([O-])NN=C(C[C@@H]1CCOC1)c1ccccc1	ZINC000834250565	605992723	/nfs/dbraw/zinc/99/27/23/605992723.db2.gz	KMHMUXOFXRQZLG-JTQLQIEISA-N	-1	0	248.282	2.085	20	50		BEGDRM
O=C([O-])NN=C[C@H]1C[C@H]1c1ccccc1	ZINC000834250297	606046935	/nfs/dbraw/zinc/04/69/35/606046935.db2.gz	GDHFLWJIXBOEIU-ZJUUUORDSA-N	-1	0	204.229	2.044	20	50		BEGDRM
CCC(=O)NN=C(C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814708525	978874950	/nfs/dbraw/zinc/87/49/50/978874950.db2.gz	MZWWAEKQUQACOP-VIFPVBQESA-N	-1	0	242.319	2.170	20	50		BEGDRM
CCCN(CC(=O)[O-])/C(=C\C#N)c1ccccc1	ZINC001589660293	949861612	/nfs/dbraw/zinc/86/16/12/949861612.db2.gz	JJSYBAUEFJRMHJ-JYRVWZFOSA-N	-1	0	244.294	2.348	20	50		BEGDRM
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)[O-]	ZINC000381358248	971756819	/nfs/dbraw/zinc/75/68/19/971756819.db2.gz	CQKACXPNSHDNLZ-YWEYNIOJSA-N	-1	0	234.280	2.402	20	50		BEGDRM
CCOc1ccccc1/C=C(\C#N)C(=O)[O-]	ZINC000007155438	956880109	/nfs/dbraw/zinc/88/01/09/956880109.db2.gz	YVBSNUUUWLTBDH-JXMROGBWSA-N	-1	0	217.224	2.077	20	50		BEGDRM
Cc1ccc(/C=C(\C#N)C(=O)[O-])c(C)c1	ZINC000022212521	957155518	/nfs/dbraw/zinc/15/55/18/957155518.db2.gz	SRSXUIJYPIPSIF-IZZDOVSWSA-N	-1	0	201.225	2.295	20	50		BEGDRM
Cc1cc(F)ccc1/C=C(/C#N)C(=O)[O-]	ZINC000050568772	957494899	/nfs/dbraw/zinc/49/48/99/957494899.db2.gz	QBDPDJXLMFYBBJ-UITAMQMPSA-N	-1	0	205.188	2.126	20	50		BEGDRM
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)[O-]	ZINC000162659332	959219304	/nfs/dbraw/zinc/21/93/04/959219304.db2.gz	SXQIGHYPZQDIFR-XVNBXDOJSA-N	-1	0	225.606	2.471	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cc(C)c(F)c(C)c1	ZINC000736122738	978304381	/nfs/dbraw/zinc/30/43/81/978304381.db2.gz	XGYXSWKYRKNDDP-UHFFFAOYSA-N	-1	0	224.235	2.434	20	50		BEGDRM
CC(C)COc1ccc(C=NNC(=O)[O-])cc1	ZINC000736446437	978335446	/nfs/dbraw/zinc/33/54/46/978335446.db2.gz	RWANLGZLKLJNSK-UHFFFAOYSA-N	-1	0	236.271	2.323	20	50		BEGDRM
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)[O-])o1	ZINC000736767500	978354889	/nfs/dbraw/zinc/35/48/89/978354889.db2.gz	ZTUKPAQMPXOVLB-POYBYMJQSA-N	-1	0	208.217	2.005	20	50		BEGDRM
O=C([O-])NN=C(CC1CC1)c1ccccc1	ZINC000738658637	978582683	/nfs/dbraw/zinc/58/26/83/978582683.db2.gz	HQRVFMQXIFVDHW-UHFFFAOYSA-N	-1	0	218.256	2.458	20	50		BEGDRM
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)[O-]	ZINC000747032511	978686105	/nfs/dbraw/zinc/68/61/05/978686105.db2.gz	GUIPOUBXIFCZMS-XBXARRHUSA-N	-1	0	239.177	2.280	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])co1	ZINC000899353006	980228558	/nfs/dbraw/zinc/22/85/58/980228558.db2.gz	SJNGFJBSJQHSOT-SXPLAPADSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CC/C(C)=C/C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001594860484	982137686	/nfs/dbraw/zinc/13/76/86/982137686.db2.gz	HRWAPFIVXBNMHW-VQHVLOKHSA-N	-1	0	248.282	2.184	20	50		BEGDRM
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])[nH]1	ZINC000826129998	601329482	/nfs/dbraw/zinc/32/94/82/601329482.db2.gz	DNNQQJHZNXXAHW-SOFGYWHQSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])[nH]1	ZINC000828700378	601331209	/nfs/dbraw/zinc/33/12/09/601331209.db2.gz	KZARLYQBCXWMBI-WSQKDGNHSA-N	-1	0	246.266	2.235	20	50		BEGDRM
CC(C)(C)C(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1	ZINC000826131278	601789159	/nfs/dbraw/zinc/78/91/59/601789159.db2.gz	ZIPMVNRHFZZKRK-WTKPLQERSA-N	-1	0	246.266	2.235	20	50		BEGDRM
O=C([O-])NN=C[C@@H]1CCCc2ccccc21	ZINC000832745159	603727602	/nfs/dbraw/zinc/72/76/02/603727602.db2.gz	TWSHJMFCOFRBDH-JTQLQIEISA-N	-1	0	218.256	2.360	20	50		BEGDRM
C[C@H]1C(=NNC(=O)[O-])C[C@H]1c1ccccc1	ZINC000825777938	605237022	/nfs/dbraw/zinc/23/70/22/605237022.db2.gz	FPLRLTKLZAFUDG-PSASIEDQSA-N	-1	0	218.256	2.434	20	50		BEGDRM
CN(N=Cc1cc(-c2ccccc2)n[nH]1)C(=O)[O-]	ZINC000828434930	605239403	/nfs/dbraw/zinc/23/94/03/605239403.db2.gz	RDUMWZBGBLBDKC-UHFFFAOYSA-N	-1	0	244.254	2.020	20	50		BEGDRM
O=C([O-])NN=Cc1coc2ccccc12	ZINC000834250351	605644629	/nfs/dbraw/zinc/64/46/29/605644629.db2.gz	HLCCUSBNYDOLSO-UHFFFAOYSA-N	-1	0	204.185	2.034	20	50		BEGDRM
CC1(C(=O)NNc2ccccc2C(=O)[O-])CCC1	ZINC000833553050	605721988	/nfs/dbraw/zinc/72/19/88/605721988.db2.gz	OBRWCYSHMGKKEU-UHFFFAOYSA-N	-1	0	248.282	2.018	20	50		BEGDRM
O=C([O-])NN=Cc1cc(Cl)ccc1F	ZINC000834251619	605988131	/nfs/dbraw/zinc/98/81/31/605988131.db2.gz	ZUORYOZIAKPTLG-UHFFFAOYSA-N	-1	0	216.599	2.081	20	50		BEGDRM
N#C/C(=C\c1csc(C2CC2)n1)C(=O)[O-]	ZINC000380084858	971673906	/nfs/dbraw/zinc/67/39/06/971673906.db2.gz	HGZRECGSIGKNCI-XVNBXDOJSA-N	-1	0	220.253	2.012	20	50		BEGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])ccc1F	ZINC000050544379	957494911	/nfs/dbraw/zinc/49/49/11/957494911.db2.gz	UFXPSBHBJPPVID-UITAMQMPSA-N	-1	0	205.188	2.126	20	50		BEGDRM
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)[O-]	ZINC000057770025	957553898	/nfs/dbraw/zinc/55/38/98/957553898.db2.gz	GUIPOUBXIFCZMS-YWEYNIOJSA-N	-1	0	239.177	2.280	20	50		BEGDRM
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)[O-])ccc2O1	ZINC000206475781	959660066	/nfs/dbraw/zinc/66/00/66/959660066.db2.gz	PPGJJNCGJNNMAW-KIFNTFBYSA-N	-1	0	229.235	2.002	20	50		BEGDRM
N#C/C(=C/c1ccc2ncccc2c1)C(=O)[O-]	ZINC000208454575	959668823	/nfs/dbraw/zinc/66/88/23/959668823.db2.gz	XKXRURAYHYFUAI-XFFZJAGNSA-N	-1	0	224.219	2.226	20	50		BEGDRM
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000209246451	959672043	/nfs/dbraw/zinc/67/20/43/959672043.db2.gz	QADJHTJSDLHQDH-XYWNUQEVSA-N	-1	0	244.206	2.143	20	50		BEGDRM
N#C/C(=C\c1ccc2occc2c1)C(=O)[O-]	ZINC000309541435	963355265	/nfs/dbraw/zinc/35/52/65/963355265.db2.gz	GKONUKKIBBPTSO-UXBLZVDNSA-N	-1	0	213.192	2.424	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])o1	ZINC000736869993	978363928	/nfs/dbraw/zinc/36/39/28/978363928.db2.gz	UGTBZKKZBVGMMR-CYXIBPNKSA-N	-1	0	247.250	2.500	20	50		BEGDRM
Cc1sc(NC=C(C#N)C#N)c(C(=O)[O-])c1C	ZINC000738397364	978532803	/nfs/dbraw/zinc/53/28/03/978532803.db2.gz	BVVVYAMDULJFAE-UHFFFAOYSA-N	-1	0	247.279	2.406	20	50		BEGDRM
COc1ccc2oc(/C=C(/C#N)C(=O)[O-])cc2c1	ZINC000763276323	978720472	/nfs/dbraw/zinc/72/04/72/978720472.db2.gz	GXJWNPPTSDFNBH-TWGQIWQCSA-N	-1	0	243.218	2.433	20	50		BEGDRM
CCn1nc(/C=C(\C#N)C(=O)[O-])c2ccccc21	ZINC000769718857	978742290	/nfs/dbraw/zinc/74/22/90/978742290.db2.gz	UXXYGKYZTPJPGL-VQHVLOKHSA-N	-1	0	241.250	2.048	20	50		BEGDRM
C=CC(C)(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001588671492	983820582	/nfs/dbraw/zinc/82/05/82/983820582.db2.gz	BRXBZMOMAOCBDP-UHFFFAOYSA-N	-1	0	248.282	2.040	20	50		BEGDRM
COc1ccc([C@@H](C)C(C)=NNC(=O)[O-])cc1	ZINC000829294312	603581213	/nfs/dbraw/zinc/58/12/13/603581213.db2.gz	QVYAUWLFIJIMOV-QMMMGPOBSA-N	-1	0	236.271	2.442	20	50		BEGDRM
CCCCC[C@@H](C(=O)NNC(=O)[O-])C(C)C	ZINC000826821237	604157153	/nfs/dbraw/zinc/15/71/53/604157153.db2.gz	SABAWKXKJOFOPZ-SECBINFHSA-N	-1	0	230.308	2.138	20	50		BEGDRM
CC(=NNC(=O)[O-])c1nc2c(s1)CCCC2	ZINC000833384308	604943099	/nfs/dbraw/zinc/94/30/99/604943099.db2.gz	GZTWNKBSOUQFKG-UHFFFAOYSA-N	-1	0	239.300	2.014	20	50		BEGDRM
CN(N=Cc1cncc2ccccc12)C(=O)[O-]	ZINC000828435012	605475509	/nfs/dbraw/zinc/47/55/09/605475509.db2.gz	UTGPZCMSJSUBMF-UHFFFAOYSA-N	-1	0	229.239	2.179	20	50		BEGDRM
O=C([O-])NN=C(Cc1ccccc1)C(F)F	ZINC000834251536	605624177	/nfs/dbraw/zinc/62/41/77/605624177.db2.gz	XBKSYABWXHSPFW-UHFFFAOYSA-N	-1	0	228.198	2.118	20	50		BEGDRM
N#C/C(=C/c1ccccc1OC(F)F)C(=O)[O-]	ZINC000003267956	956868430	/nfs/dbraw/zinc/86/84/30/956868430.db2.gz	MQYLJWZYVASSER-YVMONPNESA-N	-1	0	239.177	2.280	20	50		BEGDRM
Cc1cn2c(nc(C)c2/C=C(\C#N)C(=O)[O-])s1	ZINC000037430142	957285138	/nfs/dbraw/zinc/28/51/38/957285138.db2.gz	CJRADKJEEIISPD-FPYGCLRLSA-N	-1	0	247.279	2.004	20	50		BEGDRM
N#C/C(=C\c1sccc1Cl)C(=O)[O-]	ZINC000195221437	959624254	/nfs/dbraw/zinc/62/42/54/959624254.db2.gz	QHZLBUPVWPCJKW-HWKANZROSA-N	-1	0	213.645	2.393	20	50		BEGDRM
COc1cc(/C=C(\C#N)C(=O)[O-])ccc1SC	ZINC000208122029	959667246	/nfs/dbraw/zinc/66/72/46/959667246.db2.gz	FSHMGBADMRUJFT-WEVVVXLNSA-N	-1	0	249.291	2.409	20	50		BEGDRM
CC(=NNC(=O)[O-])c1ccc(F)cc1C	ZINC000736120818	978303261	/nfs/dbraw/zinc/30/32/61/978303261.db2.gz	DCWKAACBLRHRMK-UHFFFAOYSA-N	-1	0	210.208	2.126	20	50		BEGDRM
CC(C)CO[C@@H]1CC(=NNC(=O)[O-])C1(C)C	ZINC000736443307	978335629	/nfs/dbraw/zinc/33/56/29/978335629.db2.gz	IKWMPQFMDFMTKQ-SECBINFHSA-N	-1	0	228.292	2.081	20	50		BEGDRM
CC(CCc1ccccc1F)=NNC(=O)[O-]	ZINC000736559979	978342386	/nfs/dbraw/zinc/34/23/86/978342386.db2.gz	ANXOEBPXENLAKB-UHFFFAOYSA-N	-1	0	224.235	2.402	20	50		BEGDRM
CCO[C@H]1CC(=NNC(=O)[O-])C12CCCCC2	ZINC000737157823	978383444	/nfs/dbraw/zinc/38/34/44/978383444.db2.gz	ODOFWTRWDVMXBB-JTQLQIEISA-N	-1	0	240.303	2.369	20	50		BEGDRM
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC000761375829	978710060	/nfs/dbraw/zinc/71/00/60/978710060.db2.gz	KAOZYCMHBCYRNN-UTCJRWHESA-N	-1	0	248.238	2.427	20	50		BEGDRM
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)[O-]	ZINC000782880201	978793426	/nfs/dbraw/zinc/79/34/26/978793426.db2.gz	LJVIUVFGQVBMEG-OQFOIZHKSA-N	-1	0	249.653	2.266	20	50		BEGDRM
CC(C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])co1	ZINC000899347788	980227310	/nfs/dbraw/zinc/22/73/10/980227310.db2.gz	FHFIHRIIBDEAMD-BAQGIRSFSA-N	-1	0	233.223	2.110	20	50		BEGDRM
N#C/C(=C\c1ccccc1OCC1CC1)C(=O)[O-]	ZINC000920398368	982692857	/nfs/dbraw/zinc/69/28/57/982692857.db2.gz	ZJJGVPCHMAUHTD-KPKJPENVSA-N	-1	0	243.262	2.467	20	50		BEGDRM
C=C(C)CCC(=O)NNc1ccccc1C(=O)[O-]	ZINC001588554612	983631453	/nfs/dbraw/zinc/63/14/53/983631453.db2.gz	LXTCNFMCUGBHJK-UHFFFAOYSA-N	-1	0	248.282	2.184	20	50		BEGDRM
C/C(C#N)=C/CSc1ncccc1C(=O)[O-]	ZINC001589324226	986155466	/nfs/dbraw/zinc/15/54/66/986155466.db2.gz	YKHUYJFLNXGGQB-YWEYNIOJSA-N	-1	0	234.280	2.342	20	50		BEGDRM
CC(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])o1	ZINC001590927649	990935184	/nfs/dbraw/zinc/93/51/84/990935184.db2.gz	GPJMDOBSAGTUNU-YVMONPNESA-N	-1	0	233.223	2.110	20	50		BEGDRM
Cc1cccc(/C=C(\C#N)C(=O)[O-])c1C	ZINC000218043887	599886321	/nfs/dbraw/zinc/88/63/21/599886321.db2.gz	GLOILSDJBXRHKH-IZZDOVSWSA-N	-1	0	201.225	2.295	20	50		BEGDRM
C[C@H](CN(C)/C(=C\C#N)c1ccccc1)C(=O)[O-]	ZINC000827433032	601144251	/nfs/dbraw/zinc/14/42/51/601144251.db2.gz	TWEZDNNPRYGZER-JYVXZMADSA-N	-1	0	244.294	2.204	20	50		BEGDRM
O=C([O-])NN=C1CCCc2cc(F)ccc21	ZINC000833280265	601336375	/nfs/dbraw/zinc/33/63/75/601336375.db2.gz	DFTDVVLMEWQOTF-UHFFFAOYSA-N	-1	0	222.219	2.134	20	50		BEGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1ccccn1	ZINC000833063349	601444846	/nfs/dbraw/zinc/44/48/46/601444846.db2.gz	ITLNLUSYTJWJQZ-CLFYSBASSA-N	-1	0	239.234	2.172	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1	ZINC000828700027	601790195	/nfs/dbraw/zinc/79/01/95/601790195.db2.gz	FLADADVXOQDRHM-HDPPJLHVSA-N	-1	0	246.266	2.235	20	50		BEGDRM
O=C([O-])NN=C1CC2(CCC2)Oc2ccccc21	ZINC000833280862	601796555	/nfs/dbraw/zinc/79/65/55/601796555.db2.gz	QNANRLXSKUJOJU-UHFFFAOYSA-N	-1	0	246.266	2.364	20	50		BEGDRM
CN(N=C[C@H]1CCOc2ccccc21)C(=O)[O-]	ZINC000828434430	603726738	/nfs/dbraw/zinc/72/67/38/603726738.db2.gz	BIBPAOSIBPIDJV-SECBINFHSA-N	-1	0	234.255	2.148	20	50		BEGDRM
Cc1cc(C=NN(C)C(=O)[O-])c(C)s1	ZINC000830029780	604420130	/nfs/dbraw/zinc/42/01/30/604420130.db2.gz	JQYROQDZVZZWEL-UHFFFAOYSA-N	-1	0	212.274	2.309	20	50		BEGDRM
CN(N=Cc1cscc1Cl)C(=O)[O-]	ZINC000828434932	605463770	/nfs/dbraw/zinc/46/37/70/605463770.db2.gz	RHWUDZDYJNBPEK-UHFFFAOYSA-N	-1	0	218.665	2.345	20	50		BEGDRM
C[C@@H](c1ccc(C(=O)[O-])o1)N1CC=C(C#N)CC1	ZINC000833546488	605546858	/nfs/dbraw/zinc/54/68/58/605546858.db2.gz	HGVPHZHQEIDHMS-VIFPVBQESA-N	-1	0	246.266	2.194	20	50		BEGDRM
C=CCCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833373124	605729474	/nfs/dbraw/zinc/72/94/74/605729474.db2.gz	GTQXECAPSVBJIR-UHFFFAOYSA-N	-1	0	248.282	2.184	20	50		BEGDRM
CC(C)CCn1cccc1C=NN(C)C(=O)[O-]	ZINC000833795314	606051561	/nfs/dbraw/zinc/05/15/61/606051561.db2.gz	VSCLTMXSOAWFHW-UHFFFAOYSA-N	-1	0	237.303	2.478	20	50		BEGDRM
CCn1c(C)cc(/C=C(/C#N)C(=O)[O-])c1C	ZINC000077358217	957752675	/nfs/dbraw/zinc/75/26/75/957752675.db2.gz	FZBUYAWYQWKBNV-WDZFZDKYSA-N	-1	0	218.256	2.116	20	50		BEGDRM
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)[O-]	ZINC000088041109	958041341	/nfs/dbraw/zinc/04/13/41/958041341.db2.gz	IKEXTLNUYKGRJZ-XVNBXDOJSA-N	-1	0	225.606	2.471	20	50		BEGDRM
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)[O-]	ZINC000381358208	971757170	/nfs/dbraw/zinc/75/71/70/971757170.db2.gz	CQKACXPNSHDNLZ-XBXARRHUSA-N	-1	0	234.280	2.402	20	50		BEGDRM
N#C/C(=C/c1cc2ccccc2o1)C(=O)[O-]	ZINC000070168910	957662773	/nfs/dbraw/zinc/66/27/73/957662773.db2.gz	KCYXUPSQDTWHIJ-TWGQIWQCSA-N	-1	0	213.192	2.424	20	50		BEGDRM
CCn1c(C)cc(/C=C(\C#N)C(=O)[O-])c1C	ZINC000211453529	959687119	/nfs/dbraw/zinc/68/71/19/959687119.db2.gz	FZBUYAWYQWKBNV-IZZDOVSWSA-N	-1	0	218.256	2.116	20	50		BEGDRM
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000225223174	959859404	/nfs/dbraw/zinc/85/94/04/959859404.db2.gz	GYZINMCSTNWQQR-XVNBXDOJSA-N	-1	0	225.606	2.471	20	50		BEGDRM
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)[O-])o1	ZINC000265073948	962754095	/nfs/dbraw/zinc/75/40/95/962754095.db2.gz	TYRCVCZWPMXNHW-RBHIYKMDSA-N	-1	0	217.224	2.395	20	50		BEGDRM
N#CC(C#N)=CNc1cccc(CCC(=O)[O-])c1	ZINC001605575797	973840463	/nfs/dbraw/zinc/84/04/63/973840463.db2.gz	AKMYLGSHYWOSNB-UHFFFAOYSA-N	-1	0	241.250	2.047	20	50		BEGDRM
CC(=NNC(=O)[O-])c1ccc(C)c(C)c1O	ZINC000736121659	978304030	/nfs/dbraw/zinc/30/40/30/978304030.db2.gz	PCVGEMAYBOCSKH-UHFFFAOYSA-N	-1	0	222.244	2.001	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cccc(C)c1C	ZINC000736124964	978304907	/nfs/dbraw/zinc/30/49/07/978304907.db2.gz	DSOXOOGVGMNTPP-UHFFFAOYSA-N	-1	0	206.245	2.295	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1ccoc1C(=O)[O-]	ZINC000736868219	978362788	/nfs/dbraw/zinc/36/27/88/978362788.db2.gz	HTDIXSQSEWPONE-KZSPTFSBSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])o1	ZINC000736869994	978363526	/nfs/dbraw/zinc/36/35/26/978363526.db2.gz	UGTBZKKZBVGMMR-GTUWVTDSSA-N	-1	0	247.250	2.500	20	50		BEGDRM
Cc1ccc(C2CC(=NNC(=O)[O-])C2)cc1	ZINC000738265348	978509275	/nfs/dbraw/zinc/50/92/75/978509275.db2.gz	PCOUEDNSPJUUML-UHFFFAOYSA-N	-1	0	218.256	2.496	20	50		BEGDRM
Cc1ccc2c(c1C)C(=NNC(=O)[O-])CCO2	ZINC000738298487	978513786	/nfs/dbraw/zinc/51/37/86/978513786.db2.gz	VKLXKECGUHGSQB-UHFFFAOYSA-N	-1	0	234.255	2.058	20	50		BEGDRM
O=C([O-])NN=C(Cc1ccccc1)C1CC1	ZINC000738658735	978582606	/nfs/dbraw/zinc/58/26/06/978582606.db2.gz	LEFZVPVRSJVHJF-UHFFFAOYSA-N	-1	0	218.256	2.263	20	50		BEGDRM
N#C/C(=C\c1cc(C(=O)[O-])co1)C(=O)C1CCC1	ZINC000899352087	980228171	/nfs/dbraw/zinc/22/81/71/980228171.db2.gz	ZQHXUBUHTXQJLG-RUDMXATFSA-N	-1	0	245.234	2.254	20	50		BEGDRM
Cn1cc(/C=C(/C#N)C(=O)[O-])c(C2CCCC2)n1	ZINC000905012245	981086199	/nfs/dbraw/zinc/08/61/99/981086199.db2.gz	GXDBJSSGQULHDQ-POHAHGRESA-N	-1	0	245.282	2.069	20	50		BEGDRM
CC/C(C)=C/C(=O)NNc1ccccc1C(=O)[O-]	ZINC001594860959	982142568	/nfs/dbraw/zinc/14/25/68/982142568.db2.gz	STOLMPOBLQQTAY-CMDGGOBGSA-N	-1	0	248.282	2.184	20	50		BEGDRM
C=CC(C)(C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001588671935	983823623	/nfs/dbraw/zinc/82/36/23/983823623.db2.gz	KXVKGWZDTPOWIO-UHFFFAOYSA-N	-1	0	248.282	2.040	20	50		BEGDRM
COc1cc(OC/C=C(/C)C#N)ccc1C(=O)[O-]	ZINC001599456653	998199094	/nfs/dbraw/zinc/19/90/94/998199094.db2.gz	HVDXTBBIKBKSJY-UITAMQMPSA-N	-1	0	247.250	2.242	20	50		BEGDRM
C[C@@H]1CCc2c(F)cccc2C1=NNC(=O)[O-]	ZINC000828309894	601432993	/nfs/dbraw/zinc/43/29/93/601432993.db2.gz	GXYLCBCHXNFFAL-SSDOTTSWSA-N	-1	0	236.246	2.380	20	50		BEGDRM
CCO[C@@H]1CC(=NNC(=O)[O-])C1(CC)CC	ZINC000829918841	601433337	/nfs/dbraw/zinc/43/33/37/601433337.db2.gz	UOQDHSRODBFZOY-SECBINFHSA-N	-1	0	228.292	2.225	20	50		BEGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1ccccn1	ZINC000833063350	601444677	/nfs/dbraw/zinc/44/46/77/601444677.db2.gz	ITLNLUSYTJWJQZ-VQHVLOKHSA-N	-1	0	239.234	2.172	20	50		BEGDRM
O=C([O-])NN=C(Cc1ccccc1)C(F)(F)F	ZINC000833280174	602098380	/nfs/dbraw/zinc/09/83/80/602098380.db2.gz	BRPDNTBNNRIZEI-UHFFFAOYSA-N	-1	0	246.188	2.415	20	50		BEGDRM
C[C@H](C=NNC(=O)[O-])c1ccc(F)cc1	ZINC000833515193	604631757	/nfs/dbraw/zinc/63/17/57/604631757.db2.gz	BEERXNCMKKCPCW-SSDOTTSWSA-N	-1	0	210.208	2.183	20	50		BEGDRM
O=C([O-])NN=Cc1ccc(F)cc1Cl	ZINC000832744606	605238701	/nfs/dbraw/zinc/23/87/01/605238701.db2.gz	MHWMWJSQBVKUDI-UHFFFAOYSA-N	-1	0	216.599	2.081	20	50		BEGDRM
O=C([O-])NN=Cc1c(Cl)ccc2cccnc21	ZINC000834251566	605857237	/nfs/dbraw/zinc/85/72/37/605857237.db2.gz	XRLOWXSRZPRLGC-UHFFFAOYSA-N	-1	0	249.657	2.490	20	50		BEGDRM
O=C([O-])NN=C1CC(c2cccc(F)c2)C1	ZINC000834250151	605887959	/nfs/dbraw/zinc/88/79/59/605887959.db2.gz	CMRYWHKLZUREEU-UHFFFAOYSA-N	-1	0	222.219	2.327	20	50		BEGDRM
CN(CCC(=O)[O-])/C(=C/C#N)c1ccc(F)cc1	ZINC000818413460	955398197	/nfs/dbraw/zinc/39/81/97/955398197.db2.gz	YQIVNZJNCWCRJO-WUXMJOGZSA-N	-1	0	248.257	2.097	20	50		BEGDRM
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)[O-]	ZINC000003884624	956868705	/nfs/dbraw/zinc/86/87/05/956868705.db2.gz	BBUHYYKEHFISLK-VMPITWQZSA-N	-1	0	239.177	2.280	20	50		BEGDRM
CCCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000007262494	956881269	/nfs/dbraw/zinc/88/12/69/956881269.db2.gz	WBUHGTHUBVPUAZ-FLIBITNWSA-N	-1	0	231.251	2.467	20	50		BEGDRM
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)[O-])o1	ZINC000008117298	956883619	/nfs/dbraw/zinc/88/36/19/956883619.db2.gz	TYRCVCZWPMXNHW-CCJJIOLBSA-N	-1	0	217.224	2.395	20	50		BEGDRM
N#C/C(=C\c1cc2ccccc2o1)C(=O)[O-]	ZINC000011285348	956889362	/nfs/dbraw/zinc/88/93/62/956889362.db2.gz	KCYXUPSQDTWHIJ-RMKNXTFCSA-N	-1	0	213.192	2.424	20	50		BEGDRM
CC(C)c1ncc(/C=C(\C#N)C(=O)[O-])s1	ZINC000389854830	972252642	/nfs/dbraw/zinc/25/26/42/972252642.db2.gz	AJGNYIGNBYVARC-XVNBXDOJSA-N	-1	0	222.269	2.258	20	50		BEGDRM
Cc1cccc(/C=C(/C#N)C(=O)[O-])c1C	ZINC000043304770	957429310	/nfs/dbraw/zinc/42/93/10/957429310.db2.gz	GLOILSDJBXRHKH-WDZFZDKYSA-N	-1	0	201.225	2.295	20	50		BEGDRM
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)[O-]	ZINC000062705838	957604278	/nfs/dbraw/zinc/60/42/78/957604278.db2.gz	QTMYOWSILOKRPW-BHQIHCQQSA-N	-1	0	227.141	2.095	20	50		BEGDRM
N#C/C(=C\c1cncc2ccccc12)C(=O)[O-]	ZINC000135368475	958888468	/nfs/dbraw/zinc/88/84/68/958888468.db2.gz	ZASBYAFKDSGSDM-BJMVGYQFSA-N	-1	0	224.219	2.226	20	50		BEGDRM
Cc1ccc(F)cc1/C=C(\C#N)C(=O)[O-]	ZINC000182049823	959444101	/nfs/dbraw/zinc/44/41/01/959444101.db2.gz	DXKPNTFGWAAOGG-RUDMXATFSA-N	-1	0	205.188	2.126	20	50		BEGDRM
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000205336352	959657936	/nfs/dbraw/zinc/65/79/36/959657936.db2.gz	WSOGLEOJLSVLQF-FMIVXFBMSA-N	-1	0	242.278	2.278	20	50		BEGDRM
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000209231212	959671019	/nfs/dbraw/zinc/67/10/19/959671019.db2.gz	IAFCNHAPONHUFQ-XVNBXDOJSA-N	-1	0	225.606	2.471	20	50		BEGDRM
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)[O-]	ZINC000217440146	959776197	/nfs/dbraw/zinc/77/61/97/959776197.db2.gz	TYBFCUSUQFIADD-BHQIHCQQSA-N	-1	0	227.141	2.095	20	50		BEGDRM
CCc1ccc(/C=C(\C#N)C(=O)[O-])s1	ZINC000220465521	959801352	/nfs/dbraw/zinc/80/13/52/959801352.db2.gz	YWOWGOISUMFZGK-FNORWQNLSA-N	-1	0	207.254	2.302	20	50		BEGDRM
Cc1ccc(F)c(/C=C(/C#N)C(=O)[O-])c1	ZINC000227277973	959942996	/nfs/dbraw/zinc/94/29/96/959942996.db2.gz	QYVYURSZDHTBBP-UITAMQMPSA-N	-1	0	205.188	2.126	20	50		BEGDRM
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)[O-]	ZINC000588577324	974965033	/nfs/dbraw/zinc/96/50/33/974965033.db2.gz	OCMQVMGDGPHDJI-KPKJPENVSA-N	-1	0	243.262	2.467	20	50		BEGDRM
CC(C)CC(=O)/C(C#N)=C/c1ccoc1C(=O)[O-]	ZINC000736396048	978329159	/nfs/dbraw/zinc/32/91/59/978329159.db2.gz	LHJXRFZKIRBBJD-UXBLZVDNSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CCC(=NNC(=O)[O-])c1cccc(OC)c1	ZINC000736835038	978359616	/nfs/dbraw/zinc/35/96/16/978359616.db2.gz	LIRDDWUXOFCPOD-UHFFFAOYSA-N	-1	0	222.244	2.077	20	50		BEGDRM
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)[O-]	ZINC000761375840	978710212	/nfs/dbraw/zinc/71/02/12/978710212.db2.gz	KAOZYCMHBCYRNN-ZZXKWVIFSA-N	-1	0	248.238	2.427	20	50		BEGDRM
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)[O-]	ZINC000765501854	978723743	/nfs/dbraw/zinc/72/37/43/978723743.db2.gz	YTLNYPRWFBHIQG-GQCTYLIASA-N	-1	0	242.156	2.092	20	50		BEGDRM
Cc1oc(/C=C(\C#N)C(=O)C(C)C)cc1C(=O)[O-]	ZINC000899344819	980227242	/nfs/dbraw/zinc/22/72/42/980227242.db2.gz	ZKZBEWBRIXWSTR-RUDMXATFSA-N	-1	0	247.250	2.418	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])co1	ZINC000899353005	980228798	/nfs/dbraw/zinc/22/87/98/980228798.db2.gz	SJNGFJBSJQHSOT-HMXLAXJASA-N	-1	0	247.250	2.500	20	50		BEGDRM
CCCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595627067	981767970	/nfs/dbraw/zinc/76/79/70/981767970.db2.gz	MPMANIXOOPKNHT-UHFFFAOYSA-N	-1	0	236.271	2.018	20	50		BEGDRM
C/C(C#N)=C/CSc1ncc(C(=O)[O-])s1	ZINC001589323898	986152376	/nfs/dbraw/zinc/15/23/76/986152376.db2.gz	QJVFBKHPEVEUDJ-KXFIGUGUSA-N	-1	0	240.309	2.403	20	50		BEGDRM
CC(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])o1	ZINC001590927648	990935780	/nfs/dbraw/zinc/93/57/80/990935780.db2.gz	GPJMDOBSAGTUNU-VMPITWQZSA-N	-1	0	233.223	2.110	20	50		BEGDRM
COc1cc(OC/C=C(\C)C#N)ccc1C(=O)[O-]	ZINC001599456654	998199140	/nfs/dbraw/zinc/19/91/40/998199140.db2.gz	HVDXTBBIKBKSJY-WEVVVXLNSA-N	-1	0	247.250	2.242	20	50		BEGDRM
C[C@@H](CN(C)/C(=C\C#N)c1ccccc1)C(=O)[O-]	ZINC000827433034	601144277	/nfs/dbraw/zinc/14/42/77/601144277.db2.gz	TWEZDNNPRYGZER-LFTLCWSBSA-N	-1	0	244.294	2.204	20	50		BEGDRM
CC(=NNC(=O)[O-])[C@@H](C)c1ccccc1	ZINC000823528871	603886942	/nfs/dbraw/zinc/88/69/42/603886942.db2.gz	YJDSUPCPKQHNME-MRVPVSSYSA-N	-1	0	206.245	2.434	20	50		BEGDRM
CC(=NNC(=O)[O-])[C@H](C)c1ccccc1	ZINC000823528878	603886990	/nfs/dbraw/zinc/88/69/90/603886990.db2.gz	YJDSUPCPKQHNME-QMMMGPOBSA-N	-1	0	206.245	2.434	20	50		BEGDRM
CCCC[C@@H](CCC)CNC(=O)NNC(=O)[O-]	ZINC000826781980	604007365	/nfs/dbraw/zinc/00/73/65/604007365.db2.gz	SXPMMTVNBDLPSV-SECBINFHSA-N	-1	0	245.323	2.075	20	50		BEGDRM
O=C([O-])NN=Cc1cccc(Cl)c1F	ZINC000832745578	604346731	/nfs/dbraw/zinc/34/67/31/604346731.db2.gz	ZHWWKRLGYYTDOK-UHFFFAOYSA-N	-1	0	216.599	2.081	20	50		BEGDRM
CN(N=Cc1cc(F)cc2cccnc12)C(=O)[O-]	ZINC000828434967	604419542	/nfs/dbraw/zinc/41/95/42/604419542.db2.gz	SKHIHGPNRGYZNI-UHFFFAOYSA-N	-1	0	247.229	2.318	20	50		BEGDRM
Cc1ccc(-c2nc(C=NNC(=O)[O-])co2)cc1	ZINC000833746886	604542802	/nfs/dbraw/zinc/54/28/02/604542802.db2.gz	UNFJOTBJQFIDRQ-UHFFFAOYSA-N	-1	0	245.238	2.252	20	50		BEGDRM
CC(=NNC(=O)[O-])c1coc2ccccc12	ZINC000833385110	604925261	/nfs/dbraw/zinc/92/52/61/604925261.db2.gz	SIHSGSFNTIBCSL-UHFFFAOYSA-N	-1	0	218.212	2.424	20	50		BEGDRM
CN(N=Cc1ccc(F)cc1Cl)C(=O)[O-]	ZINC000828434817	605239417	/nfs/dbraw/zinc/23/94/17/605239417.db2.gz	NPXXFVDKEJVAHJ-UHFFFAOYSA-N	-1	0	230.626	2.423	20	50		BEGDRM
O=C([O-])NN=Cc1ccc(F)c(Cl)c1	ZINC000834251273	606046513	/nfs/dbraw/zinc/04/65/13/606046513.db2.gz	SPCMULRYKKLMSA-UHFFFAOYSA-N	-1	0	216.599	2.081	20	50		BEGDRM
O=C([O-])NN=Cc1sc(Cl)nc1Cl	ZINC000834251063	606046702	/nfs/dbraw/zinc/04/67/02/606046702.db2.gz	RMCMERDDHWETRH-UHFFFAOYSA-N	-1	0	240.071	2.051	20	50		BEGDRM
O=C([O-])NN=C[C@@H]1C[C@H]1c1ccccc1	ZINC000834250294	606046821	/nfs/dbraw/zinc/04/68/21/606046821.db2.gz	GDHFLWJIXBOEIU-UWVGGRQHSA-N	-1	0	204.229	2.044	20	50		BEGDRM
CN(CCC(=O)[O-])/C(=C\C#N)c1ccc(F)cc1	ZINC000818413459	955397746	/nfs/dbraw/zinc/39/77/46/955397746.db2.gz	YQIVNZJNCWCRJO-SDQBBNPISA-N	-1	0	248.257	2.097	20	50		BEGDRM
N#C/C(=C\c1ccccc1OC(F)F)C(=O)[O-]	ZINC000003267955	956869275	/nfs/dbraw/zinc/86/92/75/956869275.db2.gz	MQYLJWZYVASSER-VMPITWQZSA-N	-1	0	239.177	2.280	20	50		BEGDRM
CCc1ccc(/C=C(/C#N)C(=O)[O-])s1	ZINC000051716726	957506845	/nfs/dbraw/zinc/50/68/45/957506845.db2.gz	YWOWGOISUMFZGK-ALCCZGGFSA-N	-1	0	207.254	2.302	20	50		BEGDRM
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)[O-])c2O1	ZINC000211485753	959689637	/nfs/dbraw/zinc/68/96/37/959689637.db2.gz	VOINRKKLYORTRS-IZZDOVSWSA-N	-1	0	243.262	2.392	20	50		BEGDRM
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000308771457	963301945	/nfs/dbraw/zinc/30/19/45/963301945.db2.gz	GXJZGKCLHXXMAU-CLTKARDFSA-N	-1	0	225.606	2.471	20	50		BEGDRM
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)[O-])s1	ZINC000736303904	978318906	/nfs/dbraw/zinc/31/89/06/978318906.db2.gz	RKVMRFSCIJHPMR-QPJJXVBHSA-N	-1	0	236.296	2.432	20	50		BEGDRM
CC(C)CC(=O)/C(C#N)=C\c1ccoc1C(=O)[O-]	ZINC000736396046	978329332	/nfs/dbraw/zinc/32/93/32/978329332.db2.gz	LHJXRFZKIRBBJD-POHAHGRESA-N	-1	0	247.250	2.500	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1ccoc1C(=O)[O-]	ZINC000736868221	978362963	/nfs/dbraw/zinc/36/29/63/978362963.db2.gz	HTDIXSQSEWPONE-QMEHYBMDSA-N	-1	0	247.250	2.500	20	50		BEGDRM
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)[O-]	ZINC000759116314	978705136	/nfs/dbraw/zinc/70/51/36/978705136.db2.gz	OFNALUDVYSWFLM-TWGQIWQCSA-N	-1	0	242.209	2.365	20	50		BEGDRM
COc1ccc2oc(/C=C(\C#N)C(=O)[O-])cc2c1	ZINC000763276322	978720514	/nfs/dbraw/zinc/72/05/14/978720514.db2.gz	GXJWNPPTSDFNBH-RMKNXTFCSA-N	-1	0	243.218	2.433	20	50		BEGDRM
N#C/C(=C\c1ccc2cnccc2c1)C(=O)[O-]	ZINC000779221209	978782450	/nfs/dbraw/zinc/78/24/50/978782450.db2.gz	RADLNTVMPUNYIO-WUXMJOGZSA-N	-1	0	224.219	2.226	20	50		BEGDRM
N#C/C(=C/c1ccc2cnccc2c1)C(=O)[O-]	ZINC000779221208	978782683	/nfs/dbraw/zinc/78/26/83/978782683.db2.gz	RADLNTVMPUNYIO-SDQBBNPISA-N	-1	0	224.219	2.226	20	50		BEGDRM
CC(C)Cc1ccc(/C=C(\C#N)C(=O)[O-])cn1	ZINC000899340638	980227285	/nfs/dbraw/zinc/22/72/85/980227285.db2.gz	HRXHEVFEGUTIGE-IZZDOVSWSA-N	-1	0	230.267	2.272	20	50		BEGDRM
CC(C)Cc1ccc(/C=C(/C#N)C(=O)[O-])cn1	ZINC000899340639	980227799	/nfs/dbraw/zinc/22/77/99/980227799.db2.gz	HRXHEVFEGUTIGE-WDZFZDKYSA-N	-1	0	230.267	2.272	20	50		BEGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[O-])c(C)c1	ZINC001597082160	986632370	/nfs/dbraw/zinc/63/23/70/986632370.db2.gz	XRCLYYMGHRBFRI-YRNVUSSQSA-N	-1	0	231.251	2.385	20	50		BEGDRM
CCC(=NNC(=O)[O-])c1cc(F)ccc1F	ZINC000828550098	600722643	/nfs/dbraw/zinc/72/26/43/600722643.db2.gz	SBVDSAMVXXJHBZ-UHFFFAOYSA-N	-1	0	228.198	2.347	20	50		BEGDRM
CCCCO[C@@H]1CC(=NNC(=O)[O-])C1(C)C	ZINC000829412904	601336466	/nfs/dbraw/zinc/33/64/66/601336466.db2.gz	DPDKMSGIJTWECP-SECBINFHSA-N	-1	0	228.292	2.225	20	50		BEGDRM
Cc1ccc(C(=O)[O-])cc1NC=C(C#N)C#N	ZINC000832914735	601350466	/nfs/dbraw/zinc/35/04/66/601350466.db2.gz	FQIOIIIKBYFGPS-UHFFFAOYSA-N	-1	0	227.223	2.036	20	50		BEGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1	ZINC000828700028	601790135	/nfs/dbraw/zinc/79/01/35/601790135.db2.gz	FLADADVXOQDRHM-JVVDXDAESA-N	-1	0	246.266	2.235	20	50		BEGDRM
CCC(=NNC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828549239	602311801	/nfs/dbraw/zinc/31/18/01/602311801.db2.gz	KCPUOZSWYQUQOT-UHFFFAOYSA-N	-1	0	235.287	2.134	20	50		BEGDRM
O=C([O-])NN=Cc1ccccc1C1CC1	ZINC000832744429	603496233	/nfs/dbraw/zinc/49/62/33/603496233.db2.gz	KXPUCSOCLVTMLI-UHFFFAOYSA-N	-1	0	204.229	2.166	20	50		BEGDRM
CCCCCC(C)(C)CNC(=O)NNC(=O)[O-]	ZINC000826821786	603528230	/nfs/dbraw/zinc/52/82/30/603528230.db2.gz	YXVMPLQYZKGCRQ-UHFFFAOYSA-N	-1	0	245.323	2.075	20	50		BEGDRM
COc1ccc([C@H](C)C(C)=NNC(=O)[O-])cc1	ZINC000829294311	603581539	/nfs/dbraw/zinc/58/15/39/603581539.db2.gz	QVYAUWLFIJIMOV-MRVPVSSYSA-N	-1	0	236.271	2.442	20	50		BEGDRM
CC(Cc1nc2ccccc2s1)=NNC(=O)[O-]	ZINC000825036154	604202720	/nfs/dbraw/zinc/20/27/20/604202720.db2.gz	IVAHUWKNYKFNFE-UHFFFAOYSA-N	-1	0	249.295	2.482	20	50		BEGDRM
CC(C)CC(=NNC(=O)[O-])c1ccccn1	ZINC000824164540	604417394	/nfs/dbraw/zinc/41/73/94/604417394.db2.gz	LSVNRKNLBHIOIX-UHFFFAOYSA-N	-1	0	221.260	2.099	20	50		BEGDRM
CC(=NNC(=O)[O-])c1ccc(Cl)c(F)c1	ZINC000833384419	605116994	/nfs/dbraw/zinc/11/69/94/605116994.db2.gz	IZWAJVAFWARAKM-UHFFFAOYSA-N	-1	0	230.626	2.471	20	50		BEGDRM
O=C([O-])NN=Cc1cccc(-c2ccccn2)c1	ZINC000834250287	605676083	/nfs/dbraw/zinc/67/60/83/605676083.db2.gz	FXHYKPXZRZUNMT-UHFFFAOYSA-N	-1	0	241.250	2.350	20	50		BEGDRM
O=C([O-])NN=C/C=C/c1ccc(F)cc1	ZINC000834250084	605676262	/nfs/dbraw/zinc/67/62/62/605676262.db2.gz	BSRKYOHOPKGQLI-VSPICASUSA-N	-1	0	208.192	2.092	20	50		BEGDRM
CC(C)CCn1cccc1C=NNC(=O)[O-]	ZINC000833485649	606045531	/nfs/dbraw/zinc/04/55/31/606045531.db2.gz	YLQJULHAUVVUQS-UHFFFAOYSA-N	-1	0	223.276	2.136	20	50		BEGDRM
O=C([O-])NN=Cc1cccn1Cc1cccs1	ZINC000834250311	606046960	/nfs/dbraw/zinc/04/69/60/606046960.db2.gz	GGAWLAMMUVHVEU-UHFFFAOYSA-N	-1	0	249.295	2.199	20	50		BEGDRM
O=C([O-])NN=Cc1nc(-c2ccccc2)cs1	ZINC000834251175	606046985	/nfs/dbraw/zinc/04/69/85/606046985.db2.gz	RZYKKBNGZCKOPZ-UHFFFAOYSA-N	-1	0	247.279	2.412	20	50		BEGDRM
CCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1OC	ZINC000016852109	957101771	/nfs/dbraw/zinc/10/17/71/957101771.db2.gz	AQYIMFBTFQAVIR-POHAHGRESA-N	-1	0	247.250	2.085	20	50		BEGDRM
C=CCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000023718521	957157879	/nfs/dbraw/zinc/15/78/79/957157879.db2.gz	ISESJUUODFMEDH-DHZHZOJOSA-N	-1	0	229.235	2.243	20	50		BEGDRM
N#C/C(=C\c1ccc2ncccc2c1)C(=O)[O-]	ZINC000037430128	957284275	/nfs/dbraw/zinc/28/42/75/957284275.db2.gz	XKXRURAYHYFUAI-YRNVUSSQSA-N	-1	0	224.219	2.226	20	50		BEGDRM
N#C/C(=C/c1ccnc2ccccc12)C(=O)[O-]	ZINC000104389828	958366855	/nfs/dbraw/zinc/36/68/55/958366855.db2.gz	UPJCRZBRLAMSAH-YFHOEESVSA-N	-1	0	224.219	2.226	20	50		BEGDRM
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000162987167	959222970	/nfs/dbraw/zinc/22/29/70/959222970.db2.gz	GXJZGKCLHXXMAU-XVNBXDOJSA-N	-1	0	225.606	2.471	20	50		BEGDRM
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)[O-])o1	ZINC000199993731	959636764	/nfs/dbraw/zinc/63/67/64/959636764.db2.gz	TYRCVCZWPMXNHW-AORUIKGNSA-N	-1	0	217.224	2.395	20	50		BEGDRM
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)[O-])ccc2O1	ZINC000206475739	959661020	/nfs/dbraw/zinc/66/10/20/959661020.db2.gz	PPGJJNCGJNNMAW-JMUHATKESA-N	-1	0	229.235	2.002	20	50		BEGDRM
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)[O-]	ZINC000208191434	959667344	/nfs/dbraw/zinc/66/73/44/959667344.db2.gz	ZMSRJXUDZZCXRL-NTMALXAHSA-N	-1	0	246.266	2.261	20	50		BEGDRM
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000211913338	959703121	/nfs/dbraw/zinc/70/31/21/959703121.db2.gz	WSOGLEOJLSVLQF-XFXZXTDPSA-N	-1	0	242.278	2.278	20	50		BEGDRM
CC(=NNC(=O)[O-])c1cc(C)cc(C)c1	ZINC000736122793	978304863	/nfs/dbraw/zinc/30/48/63/978304863.db2.gz	ZBUOHXWEEITYBP-UHFFFAOYSA-N	-1	0	206.245	2.295	20	50		BEGDRM
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)[O-])o1	ZINC000736767497	978354722	/nfs/dbraw/zinc/35/47/22/978354722.db2.gz	ZTUKPAQMPXOVLB-HTRCEHHLSA-N	-1	0	208.217	2.005	20	50		BEGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])o1	ZINC000736869996	978363945	/nfs/dbraw/zinc/36/39/45/978363945.db2.gz	UGTBZKKZBVGMMR-WSQKDGNHSA-N	-1	0	247.250	2.500	20	50		BEGDRM
CCn1c2ccccc2nc1C(C)=NNC(=O)[O-]	ZINC000737293796	978395430	/nfs/dbraw/zinc/39/54/30/978395430.db2.gz	LLYYJQURYMMCJL-UHFFFAOYSA-N	-1	0	246.270	2.048	20	50		BEGDRM
Cc1cc(NC=C(C#N)C#N)sc1C(=O)[O-]	ZINC000738241321	978505894	/nfs/dbraw/zinc/50/58/94/978505894.db2.gz	RMXSRLWGYGCFBG-UHFFFAOYSA-N	-1	0	233.252	2.098	20	50		BEGDRM
Cc1cc2c(cc1C)C(=NNC(=O)[O-])CCCO2	ZINC000738250232	978506963	/nfs/dbraw/zinc/50/69/63/978506963.db2.gz	SKVJCFUECPUCOJ-UHFFFAOYSA-N	-1	0	248.282	2.448	20	50		BEGDRM
COc1ccc(/C=C(/C#N)C(=O)[O-])c(C)c1OC	ZINC000806554309	978849874	/nfs/dbraw/zinc/84/98/74/978849874.db2.gz	QCJBFWPITKURDE-POHAHGRESA-N	-1	0	247.250	2.004	20	50		BEGDRM
C#CCCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000920397782	982693058	/nfs/dbraw/zinc/69/30/58/982693058.db2.gz	PWJFJGWZCQMZCP-FMIVXFBMSA-N	-1	0	241.246	2.080	20	50		BEGDRM
C/C(C#N)=C\CSc1ncc(C(=O)[O-])s1	ZINC001589323899	986151922	/nfs/dbraw/zinc/15/19/22/986151922.db2.gz	QJVFBKHPEVEUDJ-QHHAFSJGSA-N	-1	0	240.309	2.403	20	50		BEGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1ccccn1	ZINC000833064965	601789958	/nfs/dbraw/zinc/78/99/58/601789958.db2.gz	YQUQCVDZCSYXMX-YHYXMXQVSA-N	-1	0	239.234	2.172	20	50		BEGDRM
N#C/C=C/COc1ccc(C(=O)[O-])cc1Cl	ZINC000833061983	601991351	/nfs/dbraw/zinc/99/13/51/601991351.db2.gz	IKNRTBFWNAFDHN-OWOJBTEDSA-N	-1	0	237.642	2.497	20	50		BEGDRM
O=C([O-])NN=C[C@H]1CCCc2ccccc21	ZINC000832745161	603727587	/nfs/dbraw/zinc/72/75/87/603727587.db2.gz	TWSHJMFCOFRBDH-SNVBAGLBSA-N	-1	0	218.256	2.360	20	50		BEGDRM
CCCC[C@H](CCC)CNC(=O)NNC(=O)[O-]	ZINC000826781981	604007532	/nfs/dbraw/zinc/00/75/32/604007532.db2.gz	SXPMMTVNBDLPSV-VIFPVBQESA-N	-1	0	245.323	2.075	20	50		BEGDRM
C[C@@H](C=NNC(=O)[O-])c1ccc(F)cc1	ZINC000833515194	604631857	/nfs/dbraw/zinc/63/18/57/604631857.db2.gz	BEERXNCMKKCPCW-ZETCQYMHSA-N	-1	0	210.208	2.183	20	50		BEGDRM
Cc1oc2ccccc2c1C=NNC(=O)[O-]	ZINC000833934237	605389323	/nfs/dbraw/zinc/38/93/23/605389323.db2.gz	CRSMTECIOGDAAC-UHFFFAOYSA-N	-1	0	218.212	2.343	20	50		BEGDRM
CC(C)Cc1ncc(C=NN(C)C(=O)[O-])s1	ZINC000824311152	605474617	/nfs/dbraw/zinc/47/46/17/605474617.db2.gz	JUCKESGSCCBLHP-UHFFFAOYSA-N	-1	0	241.316	2.285	20	50		BEGDRM
O=C([O-])NN=C[C@@H]1C[C@@H]1c1ccccc1	ZINC000834250295	606046601	/nfs/dbraw/zinc/04/66/01/606046601.db2.gz	GDHFLWJIXBOEIU-VHSXEESVSA-N	-1	0	204.229	2.044	20	50		BEGDRM