smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1cc(Br)ccc1/C=C(/C#N)C(=O)[O-]	ZINC000381349422	971756399	/nfs/dbraw/zinc/75/63/99/971756399.db2.gz	BHSUJEGOVGKBJY-YWEYNIOJSA-N	-1	0	298.161	3.163	20	50		CGGDRM
N#C/C(=C/c1cc(Br)ccc1Cl)C(=O)[O-]	ZINC000308775198	963301710	/nfs/dbraw/zinc/30/17/10/963301710.db2.gz	QKHRAMXWURXNME-CLTKARDFSA-N	-1	0	286.512	3.094	20	50		CGGDRM
C[C@@H](CC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001592439635	978092323	/nfs/dbraw/zinc/09/23/23/978092323.db2.gz	MZDXWANKHARKPR-VIFPVBQESA-N	-1	0	296.342	3.039	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])o1)C(=O)C1CCCCC1	ZINC000833064861	604630756	/nfs/dbraw/zinc/63/07/56/604630756.db2.gz	XPKRCQRXAADIGV-FLIBITNWSA-N	-1	0	273.288	3.034	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)C1CCCC1	ZINC000774129696	955325997	/nfs/dbraw/zinc/32/59/97/955325997.db2.gz	ICVDTWOYGVXIFJ-ZROIWOOFSA-N	-1	0	269.300	3.051	20	50		CGGDRM
Cc1ccc2cc(/C=C(\C#N)C(=O)[O-])c(Cl)nc2c1	ZINC000023990608	957159667	/nfs/dbraw/zinc/15/96/67/957159667.db2.gz	GEKRBPQJSAPMPZ-IZZDOVSWSA-N	-1	0	272.691	3.188	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000280873396	962859729	/nfs/dbraw/zinc/85/97/29/962859729.db2.gz	CYDZDZAEMJLOMA-LCYFTJDESA-N	-1	0	271.316	3.297	20	50		CGGDRM
COc1ccc([C@@H]2CCCCC2=NNC(=O)[O-])cc1F	ZINC000737986539	978464376	/nfs/dbraw/zinc/46/43/76/978464376.db2.gz	LWYRIAQOUJUDPE-JTQLQIEISA-N	-1	0	280.299	3.116	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2ccoc2C(=O)[O-])c1C	ZINC000738682283	978587605	/nfs/dbraw/zinc/58/76/05/978587605.db2.gz	SOFZSILACCRUOI-MDWZMJQESA-N	-1	0	295.294	3.385	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(F)c1	ZINC000849180233	979486733	/nfs/dbraw/zinc/48/67/33/979486733.db2.gz	ZZTPSCCNDLMSTP-XFFZJAGNSA-N	-1	0	289.306	3.436	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)[O-])o1	ZINC001595567425	981467802	/nfs/dbraw/zinc/46/78/02/981467802.db2.gz	LCFZHZIDQFVGEM-IYOFUODMSA-N	-1	0	287.315	3.290	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595586998	981538122	/nfs/dbraw/zinc/53/81/22/981538122.db2.gz	XRZKDGRIUNXINR-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
CCCC1(C(=O)NNc2cccc(C(=O)[O-])c2C)CCC1	ZINC001595615443	981635988	/nfs/dbraw/zinc/63/59/88/981635988.db2.gz	PWPCKAILZLNHSD-UHFFFAOYSA-N	-1	0	290.363	3.107	20	50		CGGDRM
CCCc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001596070408	983385057	/nfs/dbraw/zinc/38/50/57/983385057.db2.gz	BGHUUFGYZMWTGD-UHFFFAOYSA-N	-1	0	298.342	3.094	20	50		CGGDRM
C/C=C(/C=C\C(=O)NNc1cccc(C(=O)[O-])c1C)CC	ZINC001594677360	987014868	/nfs/dbraw/zinc/01/48/68/987014868.db2.gz	KREGBLYFEYUAML-MMQHMWHNSA-N	-1	0	288.347	3.049	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)n1	ZINC000827139254	601332221	/nfs/dbraw/zinc/33/22/21/601332221.db2.gz	IBOFLWPEHYVRTM-UITAMQMPSA-N	-1	0	287.344	3.357	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)n1	ZINC000827139840	601790156	/nfs/dbraw/zinc/79/01/56/601790156.db2.gz	SHVFYFRHXNYWOT-KMKOMSMNSA-N	-1	0	287.344	3.357	20	50		CGGDRM
O=C([O-])NN=C1CCCc2c(Cl)sc(Cl)c21	ZINC000833280528	602098390	/nfs/dbraw/zinc/09/83/90/602098390.db2.gz	LCPHMLHJNOGUHU-UHFFFAOYSA-N	-1	0	279.148	3.363	20	50		CGGDRM
C[C@H]1CCCC[C@H]1CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607301	605731132	/nfs/dbraw/zinc/73/11/32/605731132.db2.gz	CGGSUWBNBVHNHY-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1cccc(F)c1	ZINC000194533248	959621268	/nfs/dbraw/zinc/62/12/68/959621268.db2.gz	JULUPCNTPAVMRV-RIYZIHGNSA-N	-1	0	295.269	3.314	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000266026156	962754044	/nfs/dbraw/zinc/75/40/44/962754044.db2.gz	VKSOMCPAFIAUNE-RLIURORJSA-N	-1	0	271.316	3.297	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C\c2ccc(C(=O)[O-])cn2)n1	ZINC001592009106	976684985	/nfs/dbraw/zinc/68/49/85/976684985.db2.gz	XSWZHKKHBDKIHH-WZUFQYTHSA-N	-1	0	299.355	3.424	20	50		CGGDRM
COc1ccccc1-c1ccc(C(C)=NNC(=O)[O-])cc1	ZINC000738114000	978479526	/nfs/dbraw/zinc/47/95/26/978479526.db2.gz	PWOUXONJJDQGEZ-UHFFFAOYSA-N	-1	0	284.315	3.354	20	50		CGGDRM
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)[O-])s2)cc1	ZINC000738490549	978547139	/nfs/dbraw/zinc/54/71/39/978547139.db2.gz	NEXAZCWIDGKKTH-WDZFZDKYSA-N	-1	0	270.313	3.110	20	50		CGGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccoc3C(=O)[O-])nc21	ZINC000738746001	978599559	/nfs/dbraw/zinc/59/95/59/978599559.db2.gz	ANFGYFLGTPTRFU-YRNVUSSQSA-N	-1	0	293.282	3.227	20	50		CGGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccoc3C(=O)[O-])nc21	ZINC000738745998	978599629	/nfs/dbraw/zinc/59/96/29/978599629.db2.gz	ANFGYFLGTPTRFU-XFFZJAGNSA-N	-1	0	293.282	3.227	20	50		CGGDRM
CCCC(C)(C)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001595538268	981391506	/nfs/dbraw/zinc/39/15/06/981391506.db2.gz	JQRVOIXVIFTBLY-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595586510	981533466	/nfs/dbraw/zinc/53/34/66/981533466.db2.gz	BZDNOUPVGMTHHD-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
CC(C)=C(C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001590913106	990894914	/nfs/dbraw/zinc/89/49/14/990894914.db2.gz	YEHLUTXAFYUGPQ-UHFFFAOYSA-N	-1	0	296.754	3.228	20	50		CGGDRM
CC(C)(C)C(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000823748885	603808328	/nfs/dbraw/zinc/80/83/28/603808328.db2.gz	HYNICEXCIUBZSZ-LCYFTJDESA-N	-1	0	298.342	3.249	20	50		CGGDRM
CC(C)(C)CCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833429795	605283215	/nfs/dbraw/zinc/28/32/15/605283215.db2.gz	XOWACKDAXLHUJN-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])C1CCCC1	ZINC000833411538	605723186	/nfs/dbraw/zinc/72/31/86/605723186.db2.gz	IONQBFRHQJKUFI-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001592252172	977481222	/nfs/dbraw/zinc/48/12/22/977481222.db2.gz	KRKLABMRTUZPNX-LBPRGKRZSA-N	-1	0	298.342	3.022	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(F)c1	ZINC000849180234	979486725	/nfs/dbraw/zinc/48/67/25/979486725.db2.gz	ZZTPSCCNDLMSTP-YRNVUSSQSA-N	-1	0	289.306	3.436	20	50		CGGDRM
C[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)[C@H](C)C(C)(C)C	ZINC001589424633	986694766	/nfs/dbraw/zinc/69/47/66/986694766.db2.gz	YHKZPUIQYBGHCQ-QWRGUYRKSA-N	-1	0	292.379	3.146	20	50		CGGDRM
C[C@H]1[C@H](CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@H]1Cl	ZINC001594191148	998745852	/nfs/dbraw/zinc/74/58/52/998745852.db2.gz	SHNFVIZKKNPTAP-NHIZAYLHSA-N	-1	0	279.767	3.160	20	50		CGGDRM
CC1CCC(C)(C(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC001594296049	999140648	/nfs/dbraw/zinc/14/06/48/999140648.db2.gz	MGLTWPBWVAWERV-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C=C(/c1ccccc1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000833062590	601144703	/nfs/dbraw/zinc/14/47/03/601144703.db2.gz	NULHZYNGNRHOOE-IUXPMGMMSA-N	-1	0	290.322	3.265	20	50		CGGDRM
Cc1occc1C(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1	ZINC000774118547	955326173	/nfs/dbraw/zinc/32/61/73/955326173.db2.gz	JZTAIIKCNMAXFZ-MDWZMJQESA-N	-1	0	281.267	3.076	20	50		CGGDRM
COc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)[O-])c1C	ZINC000033587360	957186870	/nfs/dbraw/zinc/18/68/70/957186870.db2.gz	KFRCAZRAVDUSFX-ZROIWOOFSA-N	-1	0	296.326	3.094	20	50		CGGDRM
N#C/C(=C/c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000308764358	963300023	/nfs/dbraw/zinc/30/00/23/963300023.db2.gz	REFXBWLGDJUCNK-CLTKARDFSA-N	-1	0	286.512	3.094	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])cs1	ZINC000794953588	978830794	/nfs/dbraw/zinc/83/07/94/978830794.db2.gz	MSTXOBWZELVPPQ-UITAMQMPSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(F)c1	ZINC000849179212	979486678	/nfs/dbraw/zinc/48/66/78/979486678.db2.gz	PLECOWCOSOYZIC-GHXNOFRVSA-N	-1	0	289.306	3.436	20	50		CGGDRM
C/C(=C\C(=O)NNc1ccc(C)c(C(=O)[O-])c1)C(C)(C)C	ZINC001588943259	984640677	/nfs/dbraw/zinc/64/06/77/984640677.db2.gz	YBSYERLHCGWGPM-DHZHZOJOSA-N	-1	0	290.363	3.129	20	50		CGGDRM
CCc1oc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc1C(=O)[O-]	ZINC001597790947	989316413	/nfs/dbraw/zinc/31/64/13/989316413.db2.gz	GJXGPDKSWSYKKZ-CMWXKVOJSA-N	-1	0	275.304	3.062	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1	ZINC000209635082	959673183	/nfs/dbraw/zinc/67/31/83/959673183.db2.gz	NPTTZMMPJXRLGJ-GDNBJRDFSA-N	-1	0	277.279	3.175	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccsc1C(=O)[O-]	ZINC001595567392	981467381	/nfs/dbraw/zinc/46/73/81/981467381.db2.gz	KBHRTTDCYFTFBG-MKVDPYIPSA-N	-1	0	277.345	3.359	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832963861	601790444	/nfs/dbraw/zinc/79/04/44/601790444.db2.gz	SOPCYSALWKQKRT-MLPAPPSSSA-N	-1	0	294.310	3.120	20	50		CGGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)c1ccccn1	ZINC000831064700	603810462	/nfs/dbraw/zinc/81/04/62/603810462.db2.gz	LQZWPOFIAAXTOE-GXDHUFHOSA-N	-1	0	291.310	3.186	20	50		CGGDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	ZINC000833414382	604955171	/nfs/dbraw/zinc/95/51/71/604955171.db2.gz	MMCVHLMZEIUFAR-VGVSSDJJSA-N	-1	0	298.386	3.374	20	50		CGGDRM
CC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833636227	605261062	/nfs/dbraw/zinc/26/10/62/605261062.db2.gz	LXXDFLHOQKVEQA-CYBMUJFWSA-N	-1	0	298.342	3.022	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1F	ZINC000212674850	949534995	/nfs/dbraw/zinc/53/49/95/949534995.db2.gz	SHEKAQPWFLGEMX-LCYFTJDESA-N	-1	0	295.269	3.314	20	50		CGGDRM
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)[O-])cs2)cc1	ZINC000048837546	957464611	/nfs/dbraw/zinc/46/46/11/957464611.db2.gz	AUZSGFQOLNVCHB-WDZFZDKYSA-N	-1	0	270.313	3.110	20	50		CGGDRM
N#C/C(=C/c1cc(Cl)ccc1Br)C(=O)[O-]	ZINC000085219905	957882130	/nfs/dbraw/zinc/88/21/30/957882130.db2.gz	UQTFHGAYDFNDHJ-CLTKARDFSA-N	-1	0	286.512	3.094	20	50		CGGDRM
C[C@@H](CCC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001592478575	978252159	/nfs/dbraw/zinc/25/21/59/978252159.db2.gz	UHCJNIFCABKRTD-NSHDSACASA-N	-1	0	292.379	3.290	20	50		CGGDRM
O=C([O-])NN=C(CCc1ccccc1)Cc1ccccc1	ZINC000740001988	978662220	/nfs/dbraw/zinc/66/22/20/978662220.db2.gz	UNQIFTOWJQFZRT-UHFFFAOYSA-N	-1	0	282.343	3.486	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)[O-])o1	ZINC001595101981	979413837	/nfs/dbraw/zinc/41/38/37/979413837.db2.gz	XTMMSGQFIJTYJS-JNWHFCKMSA-N	-1	0	287.315	3.290	20	50		CGGDRM
C[C@@H]1[C@@H](Cl)[C@@H]1CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001594191474	998748624	/nfs/dbraw/zinc/74/86/24/998748624.db2.gz	YTDKRFFZFUMQKL-PTHKFVFGSA-N	-1	0	274.147	3.323	20	50		CGGDRM
CC(C)CC1(C(=O)NNc2ccccc2C(=O)[O-])CCC1	ZINC000833480316	605282328	/nfs/dbraw/zinc/28/23/28/605282328.db2.gz	OQAZVVYGGQAVTA-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
O=C([O-])Cc1cccc(NC(=O)C2CCC(Cl)CC2)c1	ZINC001595130169	952029275	/nfs/dbraw/zinc/02/92/75/952029275.db2.gz	PCOYSRRPCQIFEZ-UHFFFAOYSA-N	-1	0	295.766	3.050	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)C1CCCC1	ZINC000781554308	955342813	/nfs/dbraw/zinc/34/28/13/955342813.db2.gz	MEVMXBGWKDFLDN-ZROIWOOFSA-N	-1	0	269.300	3.051	20	50		CGGDRM
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000255063897	961325051	/nfs/dbraw/zinc/32/50/51/961325051.db2.gz	RDFAWERQNWEGQQ-GXDHUFHOSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CC(C)c1ccc(NNC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC001591974088	976585247	/nfs/dbraw/zinc/58/52/47/976585247.db2.gz	MTMMLVDNLFLYPO-UHFFFAOYSA-N	-1	0	298.342	3.265	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C\c2ccoc2C(=O)[O-])s1	ZINC000738504152	978549003	/nfs/dbraw/zinc/54/90/03/978549003.db2.gz	RFRNVSXFSKORQO-POHAHGRESA-N	-1	0	287.296	3.138	20	50		CGGDRM
CCCCCCCC(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595702674	982265049	/nfs/dbraw/zinc/26/50/49/982265049.db2.gz	KKJFQVLEKGHKKD-UHFFFAOYSA-N	-1	0	292.379	3.497	20	50		CGGDRM
CC(C)(C)[Si](C)(C)OCCOc1cccnc1C(=O)[O-]	ZINC001590451554	990014608	/nfs/dbraw/zinc/01/46/08/990014608.db2.gz	NFDKTEHCJNOQAU-UHFFFAOYSA-N	-1	0	297.427	3.180	20	50		CGGDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	ZINC000833414379	604955183	/nfs/dbraw/zinc/95/51/83/604955183.db2.gz	MMCVHLMZEIUFAR-CCAPLTMGSA-N	-1	0	298.386	3.374	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccc(F)cc1	ZINC000126345616	949263943	/nfs/dbraw/zinc/26/39/43/949263943.db2.gz	IXYCHUGSHAXYET-ZROIWOOFSA-N	-1	0	295.269	3.314	20	50		CGGDRM
Cc1csc(/C(C#N)=C\c2cccc(C(=O)[O-])c2)n1	ZINC000797404867	955348817	/nfs/dbraw/zinc/34/88/17/955348817.db2.gz	JTIWJCPLYYYPPG-SDQBBNPISA-N	-1	0	270.313	3.214	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1	ZINC000013343406	957029167	/nfs/dbraw/zinc/02/91/67/957029167.db2.gz	NPTTZMMPJXRLGJ-XNTDXEJSSA-N	-1	0	277.279	3.175	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1F	ZINC001595101934	979413908	/nfs/dbraw/zinc/41/39/08/979413908.db2.gz	ULZJCLMTDFJIRI-QPEQYQDCSA-N	-1	0	289.306	3.436	20	50		CGGDRM
CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC001595535986	981379210	/nfs/dbraw/zinc/37/92/10/981379210.db2.gz	KRCVLMGLLHOGAE-NSHDSACASA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C(=O)[O-])o1	ZINC001595567434	981467793	/nfs/dbraw/zinc/46/77/93/981467793.db2.gz	LLZCVUWIXAVBDQ-FKVCUQLRSA-N	-1	0	275.304	3.199	20	50		CGGDRM
Cc1cccc(NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1	ZINC000830521376	603454373	/nfs/dbraw/zinc/45/43/73/603454373.db2.gz	GNUHHNBLNDDAFE-UHFFFAOYSA-N	-1	0	299.330	3.150	20	50		CGGDRM
CN(N=Cc1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000828434637	603630005	/nfs/dbraw/zinc/63/00/05/603630005.db2.gz	HRHMCOOXSJLKKH-UHFFFAOYSA-N	-1	0	291.532	3.046	20	50		CGGDRM
CC(C)(C)C(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000823748886	603808373	/nfs/dbraw/zinc/80/83/73/603808373.db2.gz	HYNICEXCIUBZSZ-UKTHLTGXSA-N	-1	0	298.342	3.249	20	50		CGGDRM
CC(C)(C)/C=C/C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833422118	605247350	/nfs/dbraw/zinc/24/73/50/605247350.db2.gz	AVSIEIZAVKALIG-VOTSOKGWSA-N	-1	0	296.754	3.084	20	50		CGGDRM
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833607507	605722005	/nfs/dbraw/zinc/72/20/05/605722005.db2.gz	CZEBEWPOBNOFLU-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
C[C@H]1CCC[C@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833609900	605722021	/nfs/dbraw/zinc/72/20/21/605722021.db2.gz	GWQQWVQGHWRLOT-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
C[C@H]1CCC[C@H](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833611006	605735176	/nfs/dbraw/zinc/73/51/76/605735176.db2.gz	LXSTWMIIYWINFU-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)[O-]	ZINC000011951495	956899832	/nfs/dbraw/zinc/89/98/32/956899832.db2.gz	QNNDGSYRFMSOGK-ZSOIEALJSA-N	-1	0	297.285	3.396	20	50		CGGDRM
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-]	ZINC000255086429	961324670	/nfs/dbraw/zinc/32/46/70/961324670.db2.gz	HSXYPUYLLRMVIL-CLTKARDFSA-N	-1	0	275.613	3.350	20	50		CGGDRM
C[C@H](CC(C)(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001592439937	978093515	/nfs/dbraw/zinc/09/35/15/978093515.db2.gz	QSFUFMBLKRGFQV-SECBINFHSA-N	-1	0	296.342	3.039	20	50		CGGDRM
C[C@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001592466506	978212417	/nfs/dbraw/zinc/21/24/17/978212417.db2.gz	WRSDBJZQWLKGIW-LLVKDONJSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC(C)(C)CC(=NNC(=O)[O-])c1ccc(F)cc1	ZINC000736251642	978313517	/nfs/dbraw/zinc/31/35/17/978313517.db2.gz	RTROHWRAZHIXOJ-UHFFFAOYSA-N	-1	0	252.289	3.234	20	50		CGGDRM
C[C@H](CSCCO[Si](C)(C)C(C)(C)C)C(=O)[O-]	ZINC001592825857	979546058	/nfs/dbraw/zinc/54/60/58/979546058.db2.gz	MEFLRHXJSHIAHO-SNVBAGLBSA-N	-1	0	278.490	3.462	20	50		CGGDRM
CCC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595535649	981377876	/nfs/dbraw/zinc/37/78/76/981377876.db2.gz	DKZIYURAIIBFJU-GFCCVEGCSA-N	-1	0	292.379	3.209	20	50		CGGDRM
C[C@@H](SCCO[Si](C)(C)C(C)(C)C)C(=O)[O-]	ZINC001593661648	996038821	/nfs/dbraw/zinc/03/88/21/996038821.db2.gz	JZADABHCRVDFAD-SECBINFHSA-N	-1	0	264.463	3.215	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)C1CCCC1	ZINC000774129662	955326356	/nfs/dbraw/zinc/32/63/56/955326356.db2.gz	ICVDTWOYGVXIFJ-NTEUORMPSA-N	-1	0	269.300	3.051	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccccc1F	ZINC000774116387	955326373	/nfs/dbraw/zinc/32/63/73/955326373.db2.gz	WLWNRXCQNUZAPL-UKTHLTGXSA-N	-1	0	295.269	3.314	20	50		CGGDRM
N#C/C(=C\c1ccc(Cl)cc1Br)C(=O)[O-]	ZINC000134029061	958829227	/nfs/dbraw/zinc/82/92/27/958829227.db2.gz	LFGBQHABOJGSMP-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
CCCC1(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)CCC1	ZINC001595614765	981632958	/nfs/dbraw/zinc/63/29/58/981632958.db2.gz	DZHVCYYGXHBOIY-UHFFFAOYSA-N	-1	0	290.363	3.107	20	50		CGGDRM
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)C(=O)[O-]	ZINC000917619627	982680267	/nfs/dbraw/zinc/68/02/67/982680267.db2.gz	LDVXHQKKXRHCPH-LCYFTJDESA-N	-1	0	289.294	3.017	20	50		CGGDRM
CC(C)CC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000824164203	603808267	/nfs/dbraw/zinc/80/82/67/603808267.db2.gz	HTQZKHFQEGBPFV-ZROIWOOFSA-N	-1	0	298.342	3.249	20	50		CGGDRM
CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833636155	605731053	/nfs/dbraw/zinc/73/10/53/605731053.db2.gz	JTYJIRKNIIJXHU-OAHLLOKOSA-N	-1	0	298.342	3.022	20	50		CGGDRM
Cc1occc1C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000007714355	948770595	/nfs/dbraw/zinc/77/05/95/948770595.db2.gz	GAWVXYRNHZQGJW-MDWZMJQESA-N	-1	0	281.267	3.076	20	50		CGGDRM
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)[O-])cc1OC	ZINC000011959607	956901738	/nfs/dbraw/zinc/90/17/38/956901738.db2.gz	ULJXATVVKIMGPH-YHYXMXQVSA-N	-1	0	295.722	3.129	20	50		CGGDRM
C[C@H](CCC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001592478574	978252132	/nfs/dbraw/zinc/25/21/32/978252132.db2.gz	UHCJNIFCABKRTD-LLVKDONJSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])cs1	ZINC000794953590	978831013	/nfs/dbraw/zinc/83/10/13/978831013.db2.gz	MSTXOBWZELVPPQ-WEVVVXLNSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CC(C)CC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(F)c1	ZINC000849179969	979486765	/nfs/dbraw/zinc/48/67/65/979486765.db2.gz	YSGUUIBQPMYQDW-WDZFZDKYSA-N	-1	0	275.279	3.046	20	50		CGGDRM
CCCC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])C(C)C	ZINC001595627772	981776434	/nfs/dbraw/zinc/77/64/34/981776434.db2.gz	SMVQARGXVDRVOY-GFCCVEGCSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CCCC[C@@](C)(F)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595630910	981828968	/nfs/dbraw/zinc/82/89/68/981828968.db2.gz	URQGUYLVUIIFMA-OAHLLOKOSA-N	-1	0	296.342	3.055	20	50		CGGDRM
C[C@H]([C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1)C(C)(C)C	ZINC001589424634	986694968	/nfs/dbraw/zinc/69/49/68/986694968.db2.gz	YHKZPUIQYBGHCQ-WDEREUQCSA-N	-1	0	292.379	3.146	20	50		CGGDRM
C/C=C(/C=C/C(=O)NNc1cccc(C(=O)[O-])c1C)CC	ZINC001594677361	987014192	/nfs/dbraw/zinc/01/41/92/987014192.db2.gz	KREGBLYFEYUAML-SVSYPLOBSA-N	-1	0	288.347	3.049	20	50		CGGDRM
C[C@@H]1[C@H](Cl)[C@@H]1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001594191147	998745839	/nfs/dbraw/zinc/74/58/39/998745839.db2.gz	SHNFVIZKKNPTAP-CNJBRALLSA-N	-1	0	279.767	3.160	20	50		CGGDRM
CCc1cccc(C)c1NNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001603975377	974466868	/nfs/dbraw/zinc/46/68/68/974466868.db2.gz	WPOGKFSYOLQTDC-UHFFFAOYSA-N	-1	0	298.342	3.013	20	50		CGGDRM
COc1ccc(Cl)cc1C(CC(C)C)=NNC(=O)[O-]	ZINC000738016817	978466522	/nfs/dbraw/zinc/46/65/22/978466522.db2.gz	RPGICKUDYRADSU-UHFFFAOYSA-N	-1	0	284.743	3.366	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)[O-])o1	ZINC001595101980	979413848	/nfs/dbraw/zinc/41/38/48/979413848.db2.gz	XTMMSGQFIJTYJS-HVTAIUIQSA-N	-1	0	287.315	3.290	20	50		CGGDRM
CCC[C@](C)(CC)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595541281	981400535	/nfs/dbraw/zinc/40/05/35/981400535.db2.gz	KJVIWABTIVFVNO-INIZCTEOSA-N	-1	0	292.379	3.353	20	50		CGGDRM
CCC[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595586415	981532072	/nfs/dbraw/zinc/53/20/72/981532072.db2.gz	YXHNQPYKPLVTSS-GFCCVEGCSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CCCC[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595631535	981840557	/nfs/dbraw/zinc/84/05/57/981840557.db2.gz	SYZBCWZJJYTIJC-SECBINFHSA-N	-1	0	295.291	3.025	20	50		CGGDRM
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1F	ZINC001594865402	982166849	/nfs/dbraw/zinc/16/68/49/982166849.db2.gz	UQOTXSOHZUFPHD-TXEUWIOXSA-N	-1	0	275.279	3.046	20	50		CGGDRM
CCc1oc(/C=C(/C#N)C(=O)c2ccoc2C)cc1C(=O)[O-]	ZINC001597791341	989322136	/nfs/dbraw/zinc/32/21/36/989322136.db2.gz	NJTAEHMZNTURRQ-POHAHGRESA-N	-1	0	299.282	3.232	20	50		CGGDRM
C[C@@H]1[C@@H](Cl)[C@@H]1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001594191149	998745865	/nfs/dbraw/zinc/74/58/65/998745865.db2.gz	SHNFVIZKKNPTAP-RDSIVUJASA-N	-1	0	279.767	3.160	20	50		CGGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)c1ccccn1	ZINC000831064717	603809955	/nfs/dbraw/zinc/80/99/55/603809955.db2.gz	LQZWPOFIAAXTOE-UVTDQMKNSA-N	-1	0	291.310	3.186	20	50		CGGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)C1CCC1	ZINC000831065131	603810490	/nfs/dbraw/zinc/81/04/90/603810490.db2.gz	PFGBZIXCQYXYSM-NTEUORMPSA-N	-1	0	296.326	3.003	20	50		CGGDRM
CC(=NNC(=O)[O-])[C@@H](C)c1nc2ccccc2s1	ZINC000823527179	604084734	/nfs/dbraw/zinc/08/47/34/604084734.db2.gz	ICLRBZKRBHFNML-SSDOTTSWSA-N	-1	0	263.322	3.043	20	50		CGGDRM
CSc1cc(Br)ccc1/C=C(\C#N)C(=O)[O-]	ZINC000381349400	971755747	/nfs/dbraw/zinc/75/57/47/971755747.db2.gz	BHSUJEGOVGKBJY-XBXARRHUSA-N	-1	0	298.161	3.163	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1ccc(F)cc1	ZINC000212693486	959715380	/nfs/dbraw/zinc/71/53/80/959715380.db2.gz	AWXUSPUWKBLQSJ-ZROIWOOFSA-N	-1	0	295.269	3.314	20	50		CGGDRM
CC(C)c1ccc(NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001588968888	962659849	/nfs/dbraw/zinc/65/98/49/962659849.db2.gz	SJMMEVMFTGMWJU-CYBMUJFWSA-N	-1	0	292.379	3.000	20	50		CGGDRM
N#C/C(=C/c1cc(C(=O)[O-])cs1)C(=O)C1CCCC1	ZINC000782207861	978791724	/nfs/dbraw/zinc/79/17/24/978791724.db2.gz	TWJSNMSIJSTGQA-YHYXMXQVSA-N	-1	0	275.329	3.113	20	50		CGGDRM
CC[C@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C	ZINC001595037177	979204011	/nfs/dbraw/zinc/20/40/11/979204011.db2.gz	RRAGEQKDBCNSPA-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595436615	981070154	/nfs/dbraw/zinc/07/01/54/981070154.db2.gz	SMOKOJZDZIPCOC-BDJLRTHQSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595440136	981076223	/nfs/dbraw/zinc/07/62/23/981076223.db2.gz	HGKVZGTVJZRTRL-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@H]1CCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595622621	981711888	/nfs/dbraw/zinc/71/18/88/981711888.db2.gz	UQXDGWGEKNLYHM-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCCCCCC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595702205	982262162	/nfs/dbraw/zinc/26/21/62/982262162.db2.gz	DQRBQORZWICOHR-UHFFFAOYSA-N	-1	0	292.379	3.497	20	50		CGGDRM
CCc1oc(/C=C(/C#N)C(=O)[C@H](C)CC)cc1C(=O)[O-]	ZINC001597790953	989316575	/nfs/dbraw/zinc/31/65/75/989316575.db2.gz	GJXGPDKSWSYKKZ-WPVMNKCKSA-N	-1	0	275.304	3.062	20	50		CGGDRM
CC(C)CC(C)(C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001591123947	991809821	/nfs/dbraw/zinc/80/98/21/991809821.db2.gz	BUKSPUPRUDWSPW-UHFFFAOYSA-N	-1	0	296.342	3.039	20	50		CGGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1ccc2ccccc2n1	ZINC000833064525	601793160	/nfs/dbraw/zinc/79/31/60/601793160.db2.gz	SEDMLKKPFBHFNJ-NTUHNPAUSA-N	-1	0	289.294	3.325	20	50		CGGDRM
CCC(CC)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833643040	605245929	/nfs/dbraw/zinc/24/59/29/605245929.db2.gz	WNYNQHZJTOWPAX-UHFFFAOYSA-N	-1	0	298.770	3.308	20	50		CGGDRM
O=C([O-])NN=C1CC(c2ccc(C(F)(F)F)cc2)C1	ZINC000834251586	605887855	/nfs/dbraw/zinc/88/78/55/605887855.db2.gz	YIKZDGOPSJPKSP-UHFFFAOYSA-N	-1	0	272.226	3.206	20	50		CGGDRM
CCC(CC)(C(=O)[O-])C(=O)NNc1ccc(C(C)C)cc1	ZINC001589476054	954958809	/nfs/dbraw/zinc/95/88/09/954958809.db2.gz	SPJBAKUUYUHPOD-UHFFFAOYSA-N	-1	0	292.379	3.144	20	50		CGGDRM
N#C/C(=C/c1ccc(-c2c(F)cccc2F)o1)C(=O)[O-]	ZINC000734482901	978301758	/nfs/dbraw/zinc/30/17/58/978301758.db2.gz	KKSJFEYMJLKYGB-VURMDHGXSA-N	-1	0	275.210	3.216	20	50		CGGDRM
O=C([O-])NN=C1CCCc2c3ccccc3sc21	ZINC000833280774	601952365	/nfs/dbraw/zinc/95/23/65/601952365.db2.gz	PVZFOYPYCFHKQV-UHFFFAOYSA-N	-1	0	260.318	3.209	20	50		CGGDRM
CC1(CC(=O)NNc2cccc(C(=O)[O-])c2)CCCCC1	ZINC000833564725	605737669	/nfs/dbraw/zinc/73/76/69/605737669.db2.gz	PGDMRZQMTFWIGN-UHFFFAOYSA-N	-1	0	290.363	3.188	20	50		CGGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccccc1	ZINC000007155470	956879894	/nfs/dbraw/zinc/87/98/94/956879894.db2.gz	SGNAIPLXSDGNHI-NTEUORMPSA-N	-1	0	266.300	3.086	20	50		CGGDRM
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000007211043	956882692	/nfs/dbraw/zinc/88/26/92/956882692.db2.gz	ZYJJHLWEFMAZRT-XNTDXEJSSA-N	-1	0	291.306	3.483	20	50		CGGDRM
O=C([O-])c1ccc(NC(=O)c2cccc(CCl)c2)cc1	ZINC000048592220	957458733	/nfs/dbraw/zinc/45/87/33/957458733.db2.gz	JSWBXIAIJHTIRC-UHFFFAOYSA-N	-1	0	289.718	3.376	20	50		CGGDRM
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000048833225	957463370	/nfs/dbraw/zinc/46/33/70/957463370.db2.gz	UUXLDUYHKUHBAI-JYRVWZFOSA-N	-1	0	271.316	3.297	20	50		CGGDRM
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000212129231	959710112	/nfs/dbraw/zinc/71/01/12/959710112.db2.gz	ZYJJHLWEFMAZRT-GDNBJRDFSA-N	-1	0	291.306	3.483	20	50		CGGDRM
C[C@@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001592466507	978212451	/nfs/dbraw/zinc/21/24/51/978212451.db2.gz	WRSDBJZQWLKGIW-NSHDSACASA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])cs1	ZINC000782199914	978791704	/nfs/dbraw/zinc/79/17/04/978791704.db2.gz	JSIGGXFNDTYVNN-QFQXNISHSA-N	-1	0	277.345	3.359	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)OC1CCCCC1	ZINC000834744150	979242405	/nfs/dbraw/zinc/24/24/05/979242405.db2.gz	KTJNOENHLYUWRS-UVTDQMKNSA-N	-1	0	299.326	3.168	20	50		CGGDRM
CCCC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595539032	981396132	/nfs/dbraw/zinc/39/61/32/981396132.db2.gz	VURITPMTIPRRDE-UHFFFAOYSA-N	-1	0	295.291	3.025	20	50		CGGDRM
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833638453	605243987	/nfs/dbraw/zinc/24/39/87/605243987.db2.gz	MREYAETVCWLWAC-RKDXNWHRSA-N	-1	0	298.770	3.164	20	50		CGGDRM
C[C@@H](CC(=O)NNc1ccccc1C(=O)[O-])CC(C)(C)C	ZINC001592252877	977483619	/nfs/dbraw/zinc/48/36/19/977483619.db2.gz	PPKZMBNIJSBPLZ-NSHDSACASA-N	-1	0	292.379	3.290	20	50		CGGDRM
O=C([O-])NN=C(Cc1ccccc1)C1CCCCC1	ZINC000740002617	978662288	/nfs/dbraw/zinc/66/22/88/978662288.db2.gz	XWLAMPDWSSEWEX-UHFFFAOYSA-N	-1	0	260.337	3.433	20	50		CGGDRM
C[C@@H]1[C@@H](Cl)[C@H]1CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001594191471	998748424	/nfs/dbraw/zinc/74/84/24/998748424.db2.gz	YTDKRFFZFUMQKL-DQBIJJQNSA-N	-1	0	274.147	3.323	20	50		CGGDRM
CCC(CC)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000828858834	602345731	/nfs/dbraw/zinc/34/57/31/602345731.db2.gz	BIFZMTHJHAAVKB-UHFFFAOYSA-N	-1	0	295.291	3.025	20	50		CGGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)C1CCC1	ZINC000831065133	603810133	/nfs/dbraw/zinc/81/01/33/603810133.db2.gz	PFGBZIXCQYXYSM-ZROIWOOFSA-N	-1	0	296.326	3.003	20	50		CGGDRM
CC(C)(C)CCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833429838	605732514	/nfs/dbraw/zinc/73/25/14/605732514.db2.gz	YJIUKIZKBGHGLG-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000736960087	978370110	/nfs/dbraw/zinc/37/01/10/978370110.db2.gz	VKSOMCPAFIAUNE-ZECSTPGPSA-N	-1	0	271.316	3.297	20	50		CGGDRM
CCCC[C@H](CC)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595632433	981855667	/nfs/dbraw/zinc/85/56/67/981855667.db2.gz	XFPALQMXINDLNI-JTQLQIEISA-N	-1	0	296.342	3.183	20	50		CGGDRM
O=C([O-])NN=Cc1cc(Cl)ccc1OC1CCCC1	ZINC000833281066	600723372	/nfs/dbraw/zinc/72/33/72/600723372.db2.gz	VSQMFCAOYMOPRC-UHFFFAOYSA-N	-1	0	282.727	3.263	20	50		CGGDRM
Cc1occc1C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000211205787	949527297	/nfs/dbraw/zinc/52/72/97/949527297.db2.gz	GAWVXYRNHZQGJW-JYRVWZFOSA-N	-1	0	281.267	3.076	20	50		CGGDRM
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000007155428	956879683	/nfs/dbraw/zinc/87/96/83/956879683.db2.gz	VOWHXDPQNTXOTQ-UKTHLTGXSA-N	-1	0	259.305	3.103	20	50		CGGDRM
C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC001592252171	977481132	/nfs/dbraw/zinc/48/11/32/977481132.db2.gz	KRKLABMRTUZPNX-GFCCVEGCSA-N	-1	0	298.342	3.022	20	50		CGGDRM
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)[O-])o1	ZINC000734483259	978302143	/nfs/dbraw/zinc/30/21/43/978302143.db2.gz	NEZGWARNDGAUBA-YFHOEESVSA-N	-1	0	271.247	3.386	20	50		CGGDRM
CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC=C(C#N)C#N)cc1	ZINC000736297441	978317615	/nfs/dbraw/zinc/31/76/15/978317615.db2.gz	GGTZJAQRTLSZBR-HNNXBMFYSA-N	-1	0	297.358	3.021	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])o2)s1	ZINC000738502728	978548836	/nfs/dbraw/zinc/54/88/36/978548836.db2.gz	KENMLOAMXFXMTK-RMKNXTFCSA-N	-1	0	287.296	3.138	20	50		CGGDRM
CCC[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595570625	981474532	/nfs/dbraw/zinc/47/45/32/981474532.db2.gz	FLNSEFAEURIGIK-SECBINFHSA-N	-1	0	298.770	3.308	20	50		CGGDRM
C=C(C)C(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001588530204	983583986	/nfs/dbraw/zinc/58/39/86/983583986.db2.gz	VUHCFUDRYXZTFW-UHFFFAOYSA-N	-1	0	296.754	3.084	20	50		CGGDRM
CCc1oc(/C=C(\C#N)C(=O)c2ccoc2C)cc1C(=O)[O-]	ZINC001597791342	989322517	/nfs/dbraw/zinc/32/25/17/989322517.db2.gz	NJTAEHMZNTURRQ-UXBLZVDNSA-N	-1	0	299.282	3.232	20	50		CGGDRM
C[C@H]1CCC[C@@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833609899	605722003	/nfs/dbraw/zinc/72/20/03/605722003.db2.gz	GWQQWVQGHWRLOT-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC1(C)CCC(C(=O)NNc2ccccc2C(=O)[O-])CC1	ZINC000833556755	605724148	/nfs/dbraw/zinc/72/41/48/605724148.db2.gz	GFXPLDHNUZEHSZ-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)o1	ZINC001611167186	970919803	/nfs/dbraw/zinc/91/98/03/970919803.db2.gz	FYHKGOVKGOGUKK-MDWZMJQESA-N	-1	0	281.267	3.076	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccccc1	ZINC000774118734	955325563	/nfs/dbraw/zinc/32/55/63/955325563.db2.gz	BROWTVDSRMOOGV-GDNBJRDFSA-N	-1	0	277.279	3.175	20	50		CGGDRM
CCC[C@@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736963988	978370055	/nfs/dbraw/zinc/37/00/55/978370055.db2.gz	BGDHDPCFBMIODF-SECBINFHSA-N	-1	0	295.291	3.025	20	50		CGGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccc(C(=O)[O-])o3)nc21	ZINC000738746301	978599788	/nfs/dbraw/zinc/59/97/88/978599788.db2.gz	HLYXODQPXPXZEN-JXMROGBWSA-N	-1	0	293.282	3.227	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1F	ZINC001595101933	979413789	/nfs/dbraw/zinc/41/37/89/979413789.db2.gz	ULZJCLMTDFJIRI-NTUHNPAUSA-N	-1	0	289.306	3.436	20	50		CGGDRM
CC[C@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-]	ZINC001595336722	980595696	/nfs/dbraw/zinc/59/56/96/980595696.db2.gz	KTBVVOQIAKCFNI-ZJUUUORDSA-N	-1	0	292.422	3.107	20	50		CGGDRM
CCC[C@@](C)(CC)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595541282	981400525	/nfs/dbraw/zinc/40/05/25/981400525.db2.gz	KJVIWABTIVFVNO-MRXNPFEDSA-N	-1	0	292.379	3.353	20	50		CGGDRM
CCC[C@H]1CCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595622620	981712141	/nfs/dbraw/zinc/71/21/41/981712141.db2.gz	UQXDGWGEKNLYHM-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCC[C@H](C(=O)NNc1ccccc1C(=O)[O-])C(C)C	ZINC001595627773	981776734	/nfs/dbraw/zinc/77/67/34/981776734.db2.gz	SMVQARGXVDRVOY-LBPRGKRZSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CCCCCC(C)(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595663459	982084180	/nfs/dbraw/zinc/08/41/80/982084180.db2.gz	WSWVHLWJCQYDKW-UHFFFAOYSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CC[C@@H](C)CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC001594959297	982705823	/nfs/dbraw/zinc/70/58/23/982705823.db2.gz	QGDANBRVXLHVEP-GFCCVEGCSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CC(C)C[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001591134059	991837056	/nfs/dbraw/zinc/83/70/56/991837056.db2.gz	ODYFPNKTIQRNJA-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1nc2ccccc2s1	ZINC000833064786	601330064	/nfs/dbraw/zinc/33/00/64/601330064.db2.gz	WEMVBYADHSAQMZ-CLFYSBASSA-N	-1	0	295.323	3.387	20	50		CGGDRM
CC(C)CC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000824164202	603808233	/nfs/dbraw/zinc/80/82/33/603808233.db2.gz	HTQZKHFQEGBPFV-NTEUORMPSA-N	-1	0	298.342	3.249	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)o1	ZINC001611167185	970919836	/nfs/dbraw/zinc/91/98/36/970919836.db2.gz	FYHKGOVKGOGUKK-JYRVWZFOSA-N	-1	0	281.267	3.076	20	50		CGGDRM
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)[O-])o1	ZINC000734483258	978302183	/nfs/dbraw/zinc/30/21/83/978302183.db2.gz	NEZGWARNDGAUBA-JXMROGBWSA-N	-1	0	271.247	3.386	20	50		CGGDRM
CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC=C(C#N)C#N)cc1	ZINC000736297444	978317823	/nfs/dbraw/zinc/31/78/23/978317823.db2.gz	GGTZJAQRTLSZBR-OAHLLOKOSA-N	-1	0	297.358	3.021	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])c(C)o1	ZINC000736893883	978364822	/nfs/dbraw/zinc/36/48/22/978364822.db2.gz	MUHFJNMIXRKXRO-IZZDOVSWSA-N	-1	0	275.304	3.199	20	50		CGGDRM
Cc1nc(/C(C#N)=C/c2ccoc2C(=O)[O-])sc1C	ZINC000738841933	978604253	/nfs/dbraw/zinc/60/42/53/978604253.db2.gz	VGPDYBZNKJAVLM-BJMVGYQFSA-N	-1	0	274.301	3.115	20	50		CGGDRM
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)[O-]	ZINC000779708053	978783840	/nfs/dbraw/zinc/78/38/40/978783840.db2.gz	RGVWZOOKIIKNJF-CSKARUKUSA-N	-1	0	255.229	3.063	20	50		CGGDRM
CC(=NNC(=O)c1ccccc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814685068	978871840	/nfs/dbraw/zinc/87/18/40/978871840.db2.gz	BNGYXLAHILLYFJ-LBPRGKRZSA-N	-1	0	290.363	3.073	20	50		CGGDRM
CC(C)(C)[Si](C)(C)OCCOc1cc[nH]c1C(=O)[O-]	ZINC001590451397	990013409	/nfs/dbraw/zinc/01/34/09/990013409.db2.gz	JVJBBNLVHKOZIG-UHFFFAOYSA-N	-1	0	285.416	3.114	20	50		CGGDRM
CC(=NNC(=O)[O-])c1ccc(Br)cc1Cl	ZINC000833385098	605026031	/nfs/dbraw/zinc/02/60/31/605026031.db2.gz	SIDYBQRQEVQBJS-UHFFFAOYSA-N	-1	0	291.532	3.094	20	50		CGGDRM
C[C@H](CC1CCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001592466516	978212214	/nfs/dbraw/zinc/21/22/14/978212214.db2.gz	WXSUEQHDPRADJE-LLVKDONJSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])cs1	ZINC000782199911	978791882	/nfs/dbraw/zinc/79/18/82/978791882.db2.gz	JSIGGXFNDTYVNN-JRZFIGEHSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CC(=NNC(=O)CC(C)(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814834440	978891090	/nfs/dbraw/zinc/89/10/90/978891090.db2.gz	GEKYEOCTSXCRTC-LLVKDONJSA-N	-1	0	284.400	3.196	20	50		CGGDRM
CC(C)CC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(F)c1	ZINC000849179968	979486780	/nfs/dbraw/zinc/48/67/80/979486780.db2.gz	YSGUUIBQPMYQDW-IZZDOVSWSA-N	-1	0	275.279	3.046	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C(=O)[O-])o1	ZINC001595567436	981467842	/nfs/dbraw/zinc/46/78/42/981467842.db2.gz	LLZCVUWIXAVBDQ-MKVDPYIPSA-N	-1	0	275.304	3.199	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)[O-])o1	ZINC001595567424	981467902	/nfs/dbraw/zinc/46/79/02/981467902.db2.gz	LCFZHZIDQFVGEM-HGFHFTOQSA-N	-1	0	287.315	3.290	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595586724	981535279	/nfs/dbraw/zinc/53/52/79/981535279.db2.gz	LWJWWLYXPZGMRW-UHFFFAOYSA-N	-1	0	292.379	3.353	20	50		CGGDRM
CC[C@H]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC001597356306	987505514	/nfs/dbraw/zinc/50/55/14/987505514.db2.gz	UTVQKCCBYXGFEM-HAQNSBGRSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C=C(/c1ccccc1)N1CCC(CCC(=O)[O-])CC1	ZINC000833062093	601845288	/nfs/dbraw/zinc/84/52/88/601845288.db2.gz	JNVGWNVLHOFBTQ-PXNMLYILSA-N	-1	0	284.359	3.128	20	50		CGGDRM
CC[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC000833636228	605260849	/nfs/dbraw/zinc/26/08/49/605260849.db2.gz	LXXDFLHOQKVEQA-ZDUSSCGKSA-N	-1	0	298.342	3.022	20	50		CGGDRM
CC(C)CCCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833480565	605723230	/nfs/dbraw/zinc/72/32/30/605723230.db2.gz	KOONZZIYBIBOKS-UHFFFAOYSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)[O-])o1	ZINC001595101978	979413928	/nfs/dbraw/zinc/41/39/28/979413928.db2.gz	XTMMSGQFIJTYJS-ANKZSMJWSA-N	-1	0	287.315	3.290	20	50		CGGDRM
CN(Cc1ccc(C(=O)[O-])cc1)/C(=C/C#N)c1ccccc1	ZINC000833696432	605048315	/nfs/dbraw/zinc/04/83/15/605048315.db2.gz	MGVJKRSHFBBQAS-GZTJUZNOSA-N	-1	0	292.338	3.381	20	50		CGGDRM
O=C([O-])NNC(=O)Nc1ccccc1SC1CCCC1	ZINC000834251232	605677860	/nfs/dbraw/zinc/67/78/60/605677860.db2.gz	SKOWSZNTFWJYSP-UHFFFAOYSA-N	-1	0	295.364	3.025	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1F	ZINC000008201763	948773044	/nfs/dbraw/zinc/77/30/44/948773044.db2.gz	SHEKAQPWFLGEMX-UKTHLTGXSA-N	-1	0	295.269	3.314	20	50		CGGDRM
CCCCCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000011757510	956892149	/nfs/dbraw/zinc/89/21/49/956892149.db2.gz	XNPUEOWHAGJWJO-JLHYYAGUSA-N	-1	0	259.305	3.247	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(F)c1	ZINC000849179214	979486704	/nfs/dbraw/zinc/48/67/04/979486704.db2.gz	PLECOWCOSOYZIC-KPKJPENVSA-N	-1	0	289.306	3.436	20	50		CGGDRM
CCC[C@@H]1CCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595622622	981712115	/nfs/dbraw/zinc/71/21/15/981712115.db2.gz	UQXDGWGEKNLYHM-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CN(N=Cc1cc(Cl)ccc1Br)C(=O)[O-]	ZINC000828434866	603630230	/nfs/dbraw/zinc/63/02/30/603630230.db2.gz	PCCZVNNFJCIXSD-UHFFFAOYSA-N	-1	0	291.532	3.046	20	50		CGGDRM
Cc1ccc2cc(/C=C(/C#N)C(=O)[O-])c(Cl)nc2c1	ZINC000209311523	959673660	/nfs/dbraw/zinc/67/36/60/959673660.db2.gz	GEKRBPQJSAPMPZ-WDZFZDKYSA-N	-1	0	272.691	3.188	20	50		CGGDRM
Cc1cc(C)cc(NNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1	ZINC001605151679	972836996	/nfs/dbraw/zinc/83/69/96/972836996.db2.gz	URACOKYONYRDMV-UHFFFAOYSA-N	-1	0	298.342	3.067	20	50		CGGDRM
C[C@@H](CC(C)(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001592439938	978094067	/nfs/dbraw/zinc/09/40/67/978094067.db2.gz	QSFUFMBLKRGFQV-VIFPVBQESA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCCC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)C(C)C	ZINC001595627491	981773205	/nfs/dbraw/zinc/77/32/05/981773205.db2.gz	HTPNWLUFQOJFKB-CQSZACIVSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1F	ZINC001594865404	982166791	/nfs/dbraw/zinc/16/67/91/982166791.db2.gz	UQOTXSOHZUFPHD-TZZQWBKVSA-N	-1	0	275.279	3.046	20	50		CGGDRM
C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)[C@H](C)C(C)(C)C	ZINC001589424632	986695015	/nfs/dbraw/zinc/69/50/15/986695015.db2.gz	YHKZPUIQYBGHCQ-MNOVXSKESA-N	-1	0	292.379	3.146	20	50		CGGDRM
CC(C)(C)/C=C\C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833422117	605247324	/nfs/dbraw/zinc/24/73/24/605247324.db2.gz	AVSIEIZAVKALIG-SREVYHEPSA-N	-1	0	296.754	3.084	20	50		CGGDRM
O=C([O-])NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	ZINC000834251019	605675210	/nfs/dbraw/zinc/67/52/10/605675210.db2.gz	QVPOYUOWVLYLIC-UHFFFAOYSA-N	-1	0	299.290	3.406	20	50		CGGDRM
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833607504	605721865	/nfs/dbraw/zinc/72/18/65/605721865.db2.gz	CZEBEWPOBNOFLU-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000048638786	957459006	/nfs/dbraw/zinc/45/90/06/957459006.db2.gz	YGOMKOMULFUHCU-WDZFZDKYSA-N	-1	0	255.298	3.407	20	50		CGGDRM
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)[O-])cs2)cc1	ZINC000048837543	957464546	/nfs/dbraw/zinc/46/45/46/957464546.db2.gz	AUZSGFQOLNVCHB-IZZDOVSWSA-N	-1	0	270.313	3.110	20	50		CGGDRM
CC[C@H]1CC[C@H](C(=O)NNc2ccccc2C(=O)[O-])CC1	ZINC001597355554	987502431	/nfs/dbraw/zinc/50/24/31/987502431.db2.gz	IAIMAUWOQCVQOJ-HAQNSBGRSA-N	-1	0	290.363	3.044	20	50		CGGDRM
O=C([O-])Cc1ccccc1NC(=O)C1CCC(Cl)CC1	ZINC001574738948	957683161	/nfs/dbraw/zinc/68/31/61/957683161.db2.gz	LOMBAGXEEPHQIM-UHFFFAOYSA-N	-1	0	295.766	3.050	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1	ZINC000126416633	958589989	/nfs/dbraw/zinc/58/99/89/958589989.db2.gz	SKWJXWPPYNHLTF-NTEUORMPSA-N	-1	0	271.316	3.297	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000263644568	962751369	/nfs/dbraw/zinc/75/13/69/962751369.db2.gz	AVQAUISJWFJVNS-ZROIWOOFSA-N	-1	0	271.316	3.297	20	50		CGGDRM
N#C/C(=C\c1ccc(-c2c(F)cccc2F)o1)C(=O)[O-]	ZINC000734482899	978301569	/nfs/dbraw/zinc/30/15/69/978301569.db2.gz	KKSJFEYMJLKYGB-SOFGYWHQSA-N	-1	0	275.210	3.216	20	50		CGGDRM
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595440140	981076099	/nfs/dbraw/zinc/07/60/99/981076099.db2.gz	HGKVZGTVJZRTRL-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(C(=O)[O-])cs1	ZINC001589738921	988009492	/nfs/dbraw/zinc/00/94/92/988009492.db2.gz	ZINQRWHKUPJXOU-WTKPLQERSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CC(C)C[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001591134057	991836485	/nfs/dbraw/zinc/83/64/85/991836485.db2.gz	ODYFPNKTIQRNJA-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833638452	605243909	/nfs/dbraw/zinc/24/39/09/605243909.db2.gz	MREYAETVCWLWAC-IUCAKERBSA-N	-1	0	298.770	3.164	20	50		CGGDRM
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833609901	605721889	/nfs/dbraw/zinc/72/18/89/605721889.db2.gz	GWQQWVQGHWRLOT-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccccc1	ZINC000774118735	955326282	/nfs/dbraw/zinc/32/62/82/955326282.db2.gz	BROWTVDSRMOOGV-XNTDXEJSSA-N	-1	0	277.279	3.175	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1ccc(F)cc1	ZINC000008202536	956883555	/nfs/dbraw/zinc/88/35/55/956883555.db2.gz	AWXUSPUWKBLQSJ-NTEUORMPSA-N	-1	0	295.269	3.314	20	50		CGGDRM
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)C(=O)[O-]	ZINC000011951497	956900142	/nfs/dbraw/zinc/90/01/42/956900142.db2.gz	QNNDGSYRFMSOGK-RIYZIHGNSA-N	-1	0	297.285	3.396	20	50		CGGDRM
CC(=NNC(=O)[O-])c1sc(-c2ccc(C)cc2)nc1C	ZINC000736125243	978304938	/nfs/dbraw/zinc/30/49/38/978304938.db2.gz	HFSGEKCDIKVEHU-UHFFFAOYSA-N	-1	0	289.360	3.419	20	50		CGGDRM
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)C(=O)[O-]	ZINC000781101499	978790899	/nfs/dbraw/zinc/79/08/99/978790899.db2.gz	UIUMZQJORLVZQO-DHDCSXOGSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CCC(CC)(CC)C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595057753	979303147	/nfs/dbraw/zinc/30/31/47/979303147.db2.gz	HWTGTMWLWXSINY-UHFFFAOYSA-N	-1	0	292.379	3.353	20	50		CGGDRM
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595622619	981711934	/nfs/dbraw/zinc/71/19/34/981711934.db2.gz	UQXDGWGEKNLYHM-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCC[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595631536	981840287	/nfs/dbraw/zinc/84/02/87/981840287.db2.gz	SYZBCWZJJYTIJC-VIFPVBQESA-N	-1	0	295.291	3.025	20	50		CGGDRM
CCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595632434	981855305	/nfs/dbraw/zinc/85/53/05/981855305.db2.gz	XFPALQMXINDLNI-SNVBAGLBSA-N	-1	0	296.342	3.183	20	50		CGGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccccc1	ZINC000915841725	982668151	/nfs/dbraw/zinc/66/81/51/982668151.db2.gz	SGNAIPLXSDGNHI-ZROIWOOFSA-N	-1	0	266.300	3.086	20	50		CGGDRM
C[C@@H]1CCC[C@H](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833610996	605735507	/nfs/dbraw/zinc/73/55/07/605735507.db2.gz	LXSTWMIIYWINFU-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
COc1ccc(/C=C(/C#N)C(=O)[O-])cc1OCCC(C)C	ZINC000050956872	957501218	/nfs/dbraw/zinc/50/12/18/957501218.db2.gz	GNBMPPUHUADBAA-JYRVWZFOSA-N	-1	0	289.331	3.112	20	50		CGGDRM
CC(=NNC(=O)[O-])c1csc(-c2csc(C)n2)c1	ZINC000736124372	978304849	/nfs/dbraw/zinc/30/48/49/978304849.db2.gz	BBVOIRLKCBUQNL-UHFFFAOYSA-N	-1	0	281.362	3.172	20	50		CGGDRM
O=C([O-])NN=C1CCCCc2ccc(Cl)cc21	ZINC000738659342	978583309	/nfs/dbraw/zinc/58/33/09/978583309.db2.gz	WRAALESKMUQJPP-UHFFFAOYSA-N	-1	0	252.701	3.038	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])cs1	ZINC000782199916	978791856	/nfs/dbraw/zinc/79/18/56/978791856.db2.gz	JSIGGXFNDTYVNN-RAJVOEEQSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CC[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595036400	979195309	/nfs/dbraw/zinc/19/53/09/979195309.db2.gz	DHOUEXPZZXYHID-LBPRGKRZSA-N	-1	0	292.379	3.209	20	50		CGGDRM
CCc1ccccc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001597614339	988516829	/nfs/dbraw/zinc/51/68/29/988516829.db2.gz	BGGSNXCWGQUFDB-UHFFFAOYSA-N	-1	0	299.330	3.096	20	50		CGGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1nc2ccccc2s1	ZINC000833063374	601789645	/nfs/dbraw/zinc/78/96/45/601789645.db2.gz	JCDOUKYMFNFGMT-YHYXMXQVSA-N	-1	0	295.323	3.387	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000774118751	955325848	/nfs/dbraw/zinc/32/58/48/955325848.db2.gz	BYSYBBHZSUNQSY-ZROIWOOFSA-N	-1	0	294.266	3.357	20	50		CGGDRM
C[C@H](CC(C)(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001592439633	978092190	/nfs/dbraw/zinc/09/21/90/978092190.db2.gz	MZDXWANKHARKPR-SECBINFHSA-N	-1	0	296.342	3.039	20	50		CGGDRM
C[C@@H](CC1CCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001592466517	978212327	/nfs/dbraw/zinc/21/23/27/978212327.db2.gz	WXSUEQHDPRADJE-NSHDSACASA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC(=NNC(=O)CC1CCCC1)[C@H](C)CCCCC(=O)[O-]	ZINC000814826532	978889805	/nfs/dbraw/zinc/88/98/05/978889805.db2.gz	XDAQJWQXLRGVRB-GFCCVEGCSA-N	-1	0	296.411	3.340	20	50		CGGDRM
CCC(CC)[C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595105798	979426081	/nfs/dbraw/zinc/42/60/81/979426081.db2.gz	SOJVQFQTMYXKKS-JTQLQIEISA-N	-1	0	292.379	3.209	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)c(C(=O)[O-])o1	ZINC001595567437	981467908	/nfs/dbraw/zinc/46/79/08/981467908.db2.gz	LLZCVUWIXAVBDQ-MXFUOJGSSA-N	-1	0	275.304	3.199	20	50		CGGDRM
CC(C)C[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591134170	991836999	/nfs/dbraw/zinc/83/69/99/991836999.db2.gz	PUKYFQCGTMDAIO-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1ccc2ccccc2n1	ZINC000833064727	601332005	/nfs/dbraw/zinc/33/20/05/601332005.db2.gz	VJBBFSBWBCXWIY-FMIVXFBMSA-N	-1	0	289.294	3.325	20	50		CGGDRM
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)C(=O)[O-]	ZINC000832116313	601613325	/nfs/dbraw/zinc/61/33/25/601613325.db2.gz	QEZSIYPMCOGGDI-GDNBJRDFSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CC(C)(C)c1cc(C(=O)[O-])c(NC=C(C#N)C#N)s1	ZINC000736295093	978317718	/nfs/dbraw/zinc/31/77/18/978317718.db2.gz	SXNDOISFHIAVKK-UHFFFAOYSA-N	-1	0	275.333	3.087	20	50		CGGDRM
N#C/C(=C/c1ccc(Oc2ccccc2)o1)C(=O)[O-]	ZINC000779708064	978783953	/nfs/dbraw/zinc/78/39/53/978783953.db2.gz	RGVWZOOKIIKNJF-NTMALXAHSA-N	-1	0	255.229	3.063	20	50		CGGDRM
CC(=NNC(=O)CC1CCCC1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814826533	978889756	/nfs/dbraw/zinc/88/97/56/978889756.db2.gz	XDAQJWQXLRGVRB-LBPRGKRZSA-N	-1	0	296.411	3.340	20	50		CGGDRM
CCC(CC)(CC)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595057926	979304448	/nfs/dbraw/zinc/30/44/48/979304448.db2.gz	UDLRPJYFLTXANC-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CC[C@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595436617	981070302	/nfs/dbraw/zinc/07/03/02/981070302.db2.gz	SMOKOJZDZIPCOC-MEDUHNTESA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)C(C)C	ZINC001595627490	981772983	/nfs/dbraw/zinc/77/29/83/981772983.db2.gz	HTPNWLUFQOJFKB-AWEZNQCLSA-N	-1	0	292.379	3.290	20	50		CGGDRM
C[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)[C@@H](C)C(C)(C)C	ZINC001589424631	986694804	/nfs/dbraw/zinc/69/48/04/986694804.db2.gz	YHKZPUIQYBGHCQ-GHMZBOCLSA-N	-1	0	292.379	3.146	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccc(F)cc1	ZINC000774113913	955325674	/nfs/dbraw/zinc/32/56/74/955325674.db2.gz	IXYCHUGSHAXYET-NTEUORMPSA-N	-1	0	295.269	3.314	20	50		CGGDRM
N#C/C(=C\c1cc(Cl)ccc1Br)C(=O)[O-]	ZINC000218105820	959782453	/nfs/dbraw/zinc/78/24/53/959782453.db2.gz	UQTFHGAYDFNDHJ-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
Cc1nc(/C(C#N)=C\c2ccc(C(=O)[O-])o2)sc1C	ZINC000738841318	978604505	/nfs/dbraw/zinc/60/45/05/978604505.db2.gz	OUCLCZLGMQMUOF-UITAMQMPSA-N	-1	0	274.301	3.115	20	50		CGGDRM
CC(=NNC(=O)c1ccccc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814685067	978871831	/nfs/dbraw/zinc/87/18/31/978871831.db2.gz	BNGYXLAHILLYFJ-GFCCVEGCSA-N	-1	0	290.363	3.073	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])oc1C	ZINC001595101780	979412472	/nfs/dbraw/zinc/41/24/72/979412472.db2.gz	FSOXFWNFLJXRKL-WUXMJOGZSA-N	-1	0	275.304	3.199	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)[O-])o1	ZINC001595567427	981467827	/nfs/dbraw/zinc/46/78/27/981467827.db2.gz	LCFZHZIDQFVGEM-QFNLLXCISA-N	-1	0	287.315	3.290	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccsc1	ZINC000774119955	955326061	/nfs/dbraw/zinc/32/60/61/955326061.db2.gz	QRMAVCSVSJWGBX-QPEQYQDCSA-N	-1	0	283.308	3.236	20	50		CGGDRM
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-]	ZINC000152131568	959038620	/nfs/dbraw/zinc/03/86/20/959038620.db2.gz	HSXYPUYLLRMVIL-XVNBXDOJSA-N	-1	0	275.613	3.350	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1cccc(F)c1	ZINC000773169387	978744419	/nfs/dbraw/zinc/74/44/19/978744419.db2.gz	ASHYRVUQQXIPJM-ZSOIEALJSA-N	-1	0	295.269	3.314	20	50		CGGDRM
CCC(C)(CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001594829295	982004559	/nfs/dbraw/zinc/00/45/59/982004559.db2.gz	FJEYJWPNBZJGPC-UHFFFAOYSA-N	-1	0	298.770	3.308	20	50		CGGDRM
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1F	ZINC001594865398	982166822	/nfs/dbraw/zinc/16/68/22/982166822.db2.gz	UQOTXSOHZUFPHD-DAVUEJTQSA-N	-1	0	275.279	3.046	20	50		CGGDRM
CCCN(N=C1CCC[C@@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001595894446	982928966	/nfs/dbraw/zinc/92/89/66/982928966.db2.gz	FJCVJHICUBFAFN-LLVKDONJSA-N	-1	0	298.383	3.264	20	50		CGGDRM
CCc1cc(C(=O)[O-])ccc1NC(=O)NNc1ccccc1	ZINC001597463806	987893806	/nfs/dbraw/zinc/89/38/06/987893806.db2.gz	FBZPQNXEZDPZJJ-UHFFFAOYSA-N	-1	0	299.330	3.096	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC001603504580	973479668	/nfs/dbraw/zinc/47/96/68/973479668.db2.gz	CYDZDZAEMJLOMA-UKTHLTGXSA-N	-1	0	271.316	3.297	20	50		CGGDRM
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)[O-])s2)cc1	ZINC000738490544	978547209	/nfs/dbraw/zinc/54/72/09/978547209.db2.gz	NEXAZCWIDGKKTH-IZZDOVSWSA-N	-1	0	270.313	3.110	20	50		CGGDRM
CC(C)(C)C(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001589699784	987787717	/nfs/dbraw/zinc/78/77/17/987787717.db2.gz	RXIJUYRUUWVJOC-UHFFFAOYSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC(C)(C)C[C@H](NC(=O)c1cccc(CCl)c1)C(=O)[O-]	ZINC001589750820	988047468	/nfs/dbraw/zinc/04/74/68/988047468.db2.gz	FCWOGYFUFWHUTD-LBPRGKRZSA-N	-1	0	297.782	3.045	20	50		CGGDRM
CC(=NNC(=O)[O-])[C@@H](C)Oc1ccc(Cl)cc1Cl	ZINC000825798808	601386250	/nfs/dbraw/zinc/38/62/50/601386250.db2.gz	ZCURAWJVPGYLPE-SSDOTTSWSA-N	-1	0	291.134	3.404	20	50		CGGDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	ZINC000833414376	604954625	/nfs/dbraw/zinc/95/46/25/604954625.db2.gz	MMCVHLMZEIUFAR-BMANGOCTSA-N	-1	0	298.386	3.374	20	50		CGGDRM
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)[O-]	ZINC000006228546	956876651	/nfs/dbraw/zinc/87/66/51/956876651.db2.gz	OJIKBUZEYVBZKM-DHDCSXOGSA-N	-1	0	279.295	3.257	20	50		CGGDRM
CCCCCOc1cc(/C=C(\C#N)C(=O)[O-])ccc1OC	ZINC000011863221	956895582	/nfs/dbraw/zinc/89/55/82/956895582.db2.gz	JLFIYTWJHSNTNX-UKTHLTGXSA-N	-1	0	289.331	3.256	20	50		CGGDRM
CC(=NNC(=O)[O-])c1ccc(SC(C)C)cc1	ZINC000736120837	978303559	/nfs/dbraw/zinc/30/35/59/978303559.db2.gz	DYFFZQOWXVOADL-UHFFFAOYSA-N	-1	0	252.339	3.179	20	50		CGGDRM
CCCC(=CC(=O)NNc1ccccc1C(=O)[O-])CCC	ZINC001595521752	981341851	/nfs/dbraw/zinc/34/18/51/981341851.db2.gz	AVVWHIZWNXARAY-UHFFFAOYSA-N	-1	0	290.363	3.355	20	50		CGGDRM
CCCCCC[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595694515	982212293	/nfs/dbraw/zinc/21/22/93/982212293.db2.gz	DKOYBFZWFPCKAT-GFCCVEGCSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833638450	605243899	/nfs/dbraw/zinc/24/38/99/605243899.db2.gz	MREYAETVCWLWAC-BDAKNGLRSA-N	-1	0	298.770	3.164	20	50		CGGDRM
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607302	605730753	/nfs/dbraw/zinc/73/07/53/605730753.db2.gz	CGGSUWBNBVHNHY-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC(C)c1ccc(NNC(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC001591973652	976578582	/nfs/dbraw/zinc/57/85/82/976578582.db2.gz	GGKODUAYAFFAOZ-UHFFFAOYSA-N	-1	0	298.342	3.265	20	50		CGGDRM
CC[C@H](CC(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC001595037083	979202948	/nfs/dbraw/zinc/20/29/48/979202948.db2.gz	OKNHFVNXFQLYKJ-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC[C@@H](OC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-]	ZINC001595336717	980596085	/nfs/dbraw/zinc/59/60/85/980596085.db2.gz	KTBVVOQIAKCFNI-NXEZZACHSA-N	-1	0	292.422	3.107	20	50		CGGDRM
CCC/C(C)=C/C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595567043	981465445	/nfs/dbraw/zinc/46/54/45/981465445.db2.gz	VTAQPWJSJRIUHD-VQHVLOKHSA-N	-1	0	296.754	3.228	20	50		CGGDRM
C[C@@H]1[C@@H](Cl)[C@H]1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC001594191150	998745879	/nfs/dbraw/zinc/74/58/79/998745879.db2.gz	SHNFVIZKKNPTAP-WBKHQIRZSA-N	-1	0	279.767	3.160	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)C1CCCCC1	ZINC000126483792	958595905	/nfs/dbraw/zinc/59/59/05/958595905.db2.gz	YTKFRTDUFLAHIK-GDNBJRDFSA-N	-1	0	283.327	3.441	20	50		CGGDRM
O=C([O-])NN=C1CCC[C@@H]1c1ccc(Cl)cc1	ZINC000738659025	978582792	/nfs/dbraw/zinc/58/27/92/978582792.db2.gz	PRNXBPCDBTVNOW-SNVBAGLBSA-N	-1	0	252.701	3.231	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)C1CCCCC1	ZINC000767712372	978736947	/nfs/dbraw/zinc/73/69/47/978736947.db2.gz	DHMQAYNUKBHZSU-XNTDXEJSSA-N	-1	0	283.327	3.441	20	50		CGGDRM
CCC[C@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595585846	981526621	/nfs/dbraw/zinc/52/66/21/981526621.db2.gz	GBXQPYJZRXQDDD-VIFPVBQESA-N	-1	0	295.291	3.025	20	50		CGGDRM
CCCCCC[C@H](C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595694516	982212319	/nfs/dbraw/zinc/21/23/19/982212319.db2.gz	DKOYBFZWFPCKAT-LBPRGKRZSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CCCc1ccccc1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001596070407	983385097	/nfs/dbraw/zinc/38/50/97/983385097.db2.gz	BEQWGBAMNBXOCL-UHFFFAOYSA-N	-1	0	298.342	3.094	20	50		CGGDRM
CCc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC001597595460	988441870	/nfs/dbraw/zinc/44/18/70/988441870.db2.gz	QRMWTTDHXYXDFE-UHFFFAOYSA-N	-1	0	299.330	3.096	20	50		CGGDRM
CCc1oc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1C(=O)[O-]	ZINC001597791842	989326710	/nfs/dbraw/zinc/32/67/10/989326710.db2.gz	UQJRUJPEGTWYDA-UXBLZVDNSA-N	-1	0	289.331	3.452	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1ccc2ccccc2n1	ZINC000833064728	601331978	/nfs/dbraw/zinc/33/19/78/601331978.db2.gz	VJBBFSBWBCXWIY-XFXZXTDPSA-N	-1	0	289.294	3.325	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832963606	601332001	/nfs/dbraw/zinc/33/20/01/601332001.db2.gz	BAXRVRPSNSDNSV-XYOKQWHBSA-N	-1	0	294.310	3.120	20	50		CGGDRM
O=C([O-])NN=C1CCCSc2ccc(Cl)cc21	ZINC000833281126	601434122	/nfs/dbraw/zinc/43/41/22/601434122.db2.gz	XLYRQMBEPHFDJS-UHFFFAOYSA-N	-1	0	270.741	3.198	20	50		CGGDRM
N#C/C=C(\c1ccccc1)N1CCC(CCC(=O)[O-])CC1	ZINC000833062092	601845044	/nfs/dbraw/zinc/84/50/44/601845044.db2.gz	JNVGWNVLHOFBTQ-LZYBPNLTSA-N	-1	0	284.359	3.128	20	50		CGGDRM
CC1(C(=O)NNc2ccccc2C(=O)[O-])CCCCCC1	ZINC000833553024	605856096	/nfs/dbraw/zinc/85/60/96/605856096.db2.gz	NFNXBKZRZJFHCK-UHFFFAOYSA-N	-1	0	290.363	3.188	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1cccc(F)c1	ZINC000588597418	953739453	/nfs/dbraw/zinc/73/94/53/953739453.db2.gz	JULUPCNTPAVMRV-ZSOIEALJSA-N	-1	0	295.269	3.314	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000266026153	962753681	/nfs/dbraw/zinc/75/36/81/962753681.db2.gz	VKSOMCPAFIAUNE-HOXUKUGESA-N	-1	0	271.316	3.297	20	50		CGGDRM
O=C([O-])c1cccc(NC(=O)C2CCC(Cl)CC2)c1	ZINC001606516831	974009557	/nfs/dbraw/zinc/00/95/57/974009557.db2.gz	OCLCRULRVHCUDI-UHFFFAOYSA-N	-1	0	281.739	3.121	20	50		CGGDRM
CC[C@@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)[O-]	ZINC001595336721	980595681	/nfs/dbraw/zinc/59/56/81/980595681.db2.gz	KTBVVOQIAKCFNI-VHSXEESVSA-N	-1	0	292.422	3.107	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)[O-])o1	ZINC001595567426	981467888	/nfs/dbraw/zinc/46/78/88/981467888.db2.gz	LCFZHZIDQFVGEM-JJQGPACOSA-N	-1	0	287.315	3.290	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)c(C(=O)[O-])o1	ZINC001594791382	981850226	/nfs/dbraw/zinc/85/02/26/981850226.db2.gz	KELFHSXXLXMLDC-JXMROGBWSA-N	-1	0	275.304	3.199	20	50		CGGDRM
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832875086	601790655	/nfs/dbraw/zinc/79/06/55/601790655.db2.gz	PSQYXUYOJXFHDP-NSIKDUERSA-N	-1	0	294.310	3.120	20	50		CGGDRM
CC(C)CCCCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833481335	605734445	/nfs/dbraw/zinc/73/44/45/605734445.db2.gz	SDJOPXUNHNLVJI-UHFFFAOYSA-N	-1	0	292.379	3.434	20	50		CGGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccc(C(=O)[O-])o3)nc21	ZINC000738746303	978599731	/nfs/dbraw/zinc/59/97/31/978599731.db2.gz	HLYXODQPXPXZEN-YFHOEESVSA-N	-1	0	293.282	3.227	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])o1)C(=O)C1CCCCC1	ZINC000833064860	604630334	/nfs/dbraw/zinc/63/03/34/604630334.db2.gz	XPKRCQRXAADIGV-DHZHZOJOSA-N	-1	0	273.288	3.034	20	50		CGGDRM
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833607500	605722068	/nfs/dbraw/zinc/72/20/68/605722068.db2.gz	CZEBEWPOBNOFLU-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC1(CC(=O)NNc2ccccc2C(=O)[O-])CCCCC1	ZINC000833564244	605723905	/nfs/dbraw/zinc/72/39/05/605723905.db2.gz	LGYSZWCQNYRWHM-UHFFFAOYSA-N	-1	0	290.363	3.188	20	50		CGGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)C1CCCC1	ZINC000833411641	605734729	/nfs/dbraw/zinc/73/47/29/605734729.db2.gz	LQQGVCNYMMOSLZ-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
Cc1cccc(NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1	ZINC000830521146	605878967	/nfs/dbraw/zinc/87/89/67/605878967.db2.gz	CQRRWPWVOAEKHP-UHFFFAOYSA-N	-1	0	299.330	3.150	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccsc1	ZINC000774119954	955325800	/nfs/dbraw/zinc/32/58/00/955325800.db2.gz	QRMAVCSVSJWGBX-NTUHNPAUSA-N	-1	0	283.308	3.236	20	50		CGGDRM
Cc1occc1C(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1	ZINC000774118545	955326090	/nfs/dbraw/zinc/32/60/90/955326090.db2.gz	JZTAIIKCNMAXFZ-JYRVWZFOSA-N	-1	0	281.267	3.076	20	50		CGGDRM
N#C/C(=C\c1ccc(Cl)c(Br)c1)C(=O)[O-]	ZINC000137046958	958913275	/nfs/dbraw/zinc/91/32/75/958913275.db2.gz	CZMBJUYLPQSYPJ-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
N#C/C(=C/c1cc(Br)c(Cl)s1)C(=O)[O-]	ZINC000191696873	959590421	/nfs/dbraw/zinc/59/04/21/959590421.db2.gz	QBZGCYVCMKKSRR-RJRFIUFISA-N	-1	0	292.541	3.156	20	50		CGGDRM
O=C([O-])NN=C1CCC[C@H]1c1ccc(Cl)cc1	ZINC000738659024	978582830	/nfs/dbraw/zinc/58/28/30/978582830.db2.gz	PRNXBPCDBTVNOW-JTQLQIEISA-N	-1	0	252.701	3.231	20	50		CGGDRM
CCCCCC(C)(C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595663516	982085109	/nfs/dbraw/zinc/08/51/09/982085109.db2.gz	ZMWRHYHPSOTYLU-UHFFFAOYSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CC(C)(C)CC(=O)/C(C#N)=C/c1cc(C(=O)[O-])cs1	ZINC001589738920	988008972	/nfs/dbraw/zinc/00/89/72/988008972.db2.gz	ZINQRWHKUPJXOU-RUDMXATFSA-N	-1	0	277.345	3.359	20	50		CGGDRM
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832875441	601331722	/nfs/dbraw/zinc/33/17/22/601331722.db2.gz	UAHBDBUDODQYLG-JYRVWZFOSA-N	-1	0	294.310	3.120	20	50		CGGDRM
C[C@H](C=NN(C)C(=O)[O-])c1cccc(Br)c1	ZINC000824542397	603580150	/nfs/dbraw/zinc/58/01/50/603580150.db2.gz	BCZKZODNYOUOQH-MRVPVSSYSA-N	-1	0	285.141	3.148	20	50		CGGDRM
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)[O-]	ZINC000381472096	971761330	/nfs/dbraw/zinc/76/13/30/971761330.db2.gz	MZORXPJYDHKHME-ZZXKWVIFSA-N	-1	0	260.051	3.124	20	50		CGGDRM
CCC(CSc1ccc(Cl)cc1)=NNC(=O)[O-]	ZINC000736903422	978365401	/nfs/dbraw/zinc/36/54/01/978365401.db2.gz	JGPMIPQTMCAHRS-UHFFFAOYSA-N	-1	0	272.757	3.466	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000736960086	978370172	/nfs/dbraw/zinc/37/01/72/978370172.db2.gz	VKSOMCPAFIAUNE-LUHPIMIVSA-N	-1	0	271.316	3.297	20	50		CGGDRM
CCC[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595586416	981532628	/nfs/dbraw/zinc/53/26/28/981532628.db2.gz	YXHNQPYKPLVTSS-LBPRGKRZSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)n1	ZINC000827139255	601332162	/nfs/dbraw/zinc/33/21/62/601332162.db2.gz	IBOFLWPEHYVRTM-WEVVVXLNSA-N	-1	0	287.344	3.357	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000158289522	949367785	/nfs/dbraw/zinc/36/77/85/949367785.db2.gz	PAMCJMVCMBVXIV-LCYFTJDESA-N	-1	0	289.294	3.325	20	50		CGGDRM
Cc1csc(/C(C#N)=C/c2cccc(C(=O)[O-])c2)n1	ZINC000797404870	955348062	/nfs/dbraw/zinc/34/80/62/955348062.db2.gz	JTIWJCPLYYYPPG-WUXMJOGZSA-N	-1	0	270.313	3.214	20	50		CGGDRM
Cc1cc(C)c(NNC(=O)c2cccc(C(=O)[O-])c2)c(C)c1	ZINC000820968158	955486300	/nfs/dbraw/zinc/48/63/00/955486300.db2.gz	PXZLKIQSZBTDAE-UHFFFAOYSA-N	-1	0	298.342	3.067	20	50		CGGDRM
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000211377444	959682577	/nfs/dbraw/zinc/68/25/77/959682577.db2.gz	VOWHXDPQNTXOTQ-LCYFTJDESA-N	-1	0	259.305	3.103	20	50		CGGDRM
N#C/C(=C\c1ccc(Br)c(Cl)c1)C(=O)[O-]	ZINC000236425211	960580377	/nfs/dbraw/zinc/58/03/77/960580377.db2.gz	TWZMZRFMPDNJKP-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
C[C@H](CC(=O)NNc1ccccc1C(=O)[O-])CC(C)(C)C	ZINC001592252876	977483717	/nfs/dbraw/zinc/48/37/17/977483717.db2.gz	PPKZMBNIJSBPLZ-LLVKDONJSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccsc1C(=O)[O-]	ZINC001595567390	981467225	/nfs/dbraw/zinc/46/72/25/981467225.db2.gz	KBHRTTDCYFTFBG-FKVCUQLRSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CCCC[C@H](CC)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001595632053	981848130	/nfs/dbraw/zinc/84/81/30/981848130.db2.gz	PUPULLDZEUGMTF-LBPRGKRZSA-N	-1	0	292.379	3.434	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1nc2ccccc2s1	ZINC000833064787	601330213	/nfs/dbraw/zinc/33/02/13/601330213.db2.gz	WEMVBYADHSAQMZ-VQHVLOKHSA-N	-1	0	295.323	3.387	20	50		CGGDRM
CC(=NNC(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1	ZINC000833384957	604501741	/nfs/dbraw/zinc/50/17/41/604501741.db2.gz	PUTAUBJGNMDGNP-UHFFFAOYSA-N	-1	0	280.633	3.350	20	50		CGGDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	ZINC000833414381	604954723	/nfs/dbraw/zinc/95/47/23/604954723.db2.gz	MMCVHLMZEIUFAR-HEUOVEHFSA-N	-1	0	298.386	3.374	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000774118748	955325515	/nfs/dbraw/zinc/32/55/15/955325515.db2.gz	BYSYBBHZSUNQSY-NTEUORMPSA-N	-1	0	294.266	3.357	20	50		CGGDRM
N#C/C(=C/c1ccc(Cl)cc1Br)C(=O)[O-]	ZINC000255755064	961323738	/nfs/dbraw/zinc/32/37/38/961323738.db2.gz	LFGBQHABOJGSMP-CLTKARDFSA-N	-1	0	286.512	3.094	20	50		CGGDRM
COc1ccc([C@H]2CCCCC2=NNC(=O)[O-])cc1F	ZINC000737986540	978464041	/nfs/dbraw/zinc/46/40/41/978464041.db2.gz	LWYRIAQOUJUDPE-SNVBAGLBSA-N	-1	0	280.299	3.116	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1cccc(F)c1	ZINC000773169386	978744432	/nfs/dbraw/zinc/74/44/32/978744432.db2.gz	ASHYRVUQQXIPJM-RIYZIHGNSA-N	-1	0	295.269	3.314	20	50		CGGDRM
C[C@@H](CC=NN(C(=O)c1ccccc1)C(C)(C)C)C(=O)[O-]	ZINC001592463507	978188744	/nfs/dbraw/zinc/18/87/44/978188744.db2.gz	CLNCOFIFLYUMON-LBPRGKRZSA-N	-1	0	290.363	3.024	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])o2)c1C	ZINC000738681480	978587965	/nfs/dbraw/zinc/58/79/65/978587965.db2.gz	DJXQFHYSMBEYIZ-WQLSENKSSA-N	-1	0	295.294	3.385	20	50		CGGDRM
Cc1nc(/C(C#N)=C/c2ccc(C(=O)[O-])o2)sc1C	ZINC000738841319	978604622	/nfs/dbraw/zinc/60/46/22/978604622.db2.gz	OUCLCZLGMQMUOF-WEVVVXLNSA-N	-1	0	274.301	3.115	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)C1CCCCC1	ZINC000774137940	978746729	/nfs/dbraw/zinc/74/67/29/978746729.db2.gz	YTKFRTDUFLAHIK-XNTDXEJSSA-N	-1	0	283.327	3.441	20	50		CGGDRM
CC[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595036399	979195226	/nfs/dbraw/zinc/19/52/26/979195226.db2.gz	DHOUEXPZZXYHID-GFCCVEGCSA-N	-1	0	292.379	3.209	20	50		CGGDRM
CC[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001595036759	979200424	/nfs/dbraw/zinc/20/04/24/979200424.db2.gz	YFGKLNBBOVYZTK-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccsc1C(=O)[O-]	ZINC001595567393	981467325	/nfs/dbraw/zinc/46/73/25/981467325.db2.gz	KBHRTTDCYFTFBG-MXFUOJGSSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CC(C)(C)CCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001589771959	988127759	/nfs/dbraw/zinc/12/77/59/988127759.db2.gz	QYIDDUIXZKDZQC-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
C[C@H]1CCC[C@@H](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833611001	605735338	/nfs/dbraw/zinc/73/53/38/605735338.db2.gz	LXSTWMIIYWINFU-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCCOc1ccc(/C=C(\C#N)C(=O)[O-])cc1OCC	ZINC000007155574	956880527	/nfs/dbraw/zinc/88/05/27/956880527.db2.gz	VHRZCICTFHUPCC-UKTHLTGXSA-N	-1	0	289.331	3.256	20	50		CGGDRM
CCOc1cc(/C=C(/C#N)C(=O)[O-])ccc1OCC(C)C	ZINC000211381650	959682489	/nfs/dbraw/zinc/68/24/89/959682489.db2.gz	JYCLBKXJTLNDIW-QPEQYQDCSA-N	-1	0	289.331	3.112	20	50		CGGDRM
C[C@@H](CCC(C)(C)C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001592477692	978246355	/nfs/dbraw/zinc/24/63/55/978246355.db2.gz	MSUFTYQWKBHWSI-NSHDSACASA-N	-1	0	292.379	3.290	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])c(F)c1)C(=O)C1CCCC1	ZINC000849178787	979486721	/nfs/dbraw/zinc/48/67/21/979486721.db2.gz	HKYGRSDMGPQFTO-GHXNOFRVSA-N	-1	0	287.290	3.190	20	50		CGGDRM
CC[C@H](OC(=O)CCCC[C@H]1CCSS1)C(=O)[O-]	ZINC001595336720	980595983	/nfs/dbraw/zinc/59/59/83/980595983.db2.gz	KTBVVOQIAKCFNI-UWVGGRQHSA-N	-1	0	292.422	3.107	20	50		CGGDRM
N#C/C(=C\c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000915841292	982668459	/nfs/dbraw/zinc/66/84/59/982668459.db2.gz	JWWLBKBNUZFTKV-WEVVVXLNSA-N	-1	0	290.731	3.455	20	50		CGGDRM
CCc1oc(/C=C(/C#N)C(=O)C2CCCC2)cc1C(=O)[O-]	ZINC001597791582	989323918	/nfs/dbraw/zinc/32/39/18/989323918.db2.gz	RHFJGGXAIUPRSM-XFFZJAGNSA-N	-1	0	287.315	3.206	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832963605	601331935	/nfs/dbraw/zinc/33/19/35/601331935.db2.gz	BAXRVRPSNSDNSV-WQLSENKSSA-N	-1	0	294.310	3.120	20	50		CGGDRM
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000727432241	978292153	/nfs/dbraw/zinc/29/21/53/978292153.db2.gz	AXTUAVBWWWONLY-XVNBXDOJSA-N	-1	0	275.613	3.350	20	50		CGGDRM
Cc1c(F)cccc1-c1ccc(/C=C(\C#N)C(=O)[O-])o1	ZINC000734482086	978301611	/nfs/dbraw/zinc/30/16/11/978301611.db2.gz	ACQMGCSNABRBJO-JXMROGBWSA-N	-1	0	271.247	3.386	20	50		CGGDRM
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)C(=O)[O-]	ZINC000781101506	978791135	/nfs/dbraw/zinc/79/11/35/978791135.db2.gz	UIUMZQJORLVZQO-OQLLNIDSSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CC1(C(=O)NNc2cccc(C(=O)[O-])c2)CCCCCC1	ZINC000833552967	605855843	/nfs/dbraw/zinc/85/58/43/605855843.db2.gz	LFMCEBWGAYTQJP-UHFFFAOYSA-N	-1	0	290.363	3.188	20	50		CGGDRM
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595440137	981075957	/nfs/dbraw/zinc/07/59/57/981075957.db2.gz	HGKVZGTVJZRTRL-RYUDHWBXSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)cc1	ZINC001597501101	988065170	/nfs/dbraw/zinc/06/51/70/988065170.db2.gz	RAJZQJYHCCMERH-UHFFFAOYSA-N	-1	0	298.342	3.013	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000001977611	948765098	/nfs/dbraw/zinc/76/50/98/948765098.db2.gz	MNWMWZCCXWDTNH-NTEUORMPSA-N	-1	0	294.266	3.357	20	50		CGGDRM
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000174052313	959422420	/nfs/dbraw/zinc/42/24/20/959422420.db2.gz	RDFAWERQNWEGQQ-UVTDQMKNSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CC(C)(C)CCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736251878	978314812	/nfs/dbraw/zinc/31/48/12/978314812.db2.gz	SYDHZWLOJMVLBS-UHFFFAOYSA-N	-1	0	295.291	3.025	20	50		CGGDRM
CCCC(=NNC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000736948042	978368754	/nfs/dbraw/zinc/36/87/54/978368754.db2.gz	HLVMNCHUVHZYQJ-UHFFFAOYSA-N	-1	0	274.242	3.477	20	50		CGGDRM
Cc1ccccc1-c1cccc(C=NNC(=O)[O-])c1	ZINC000738321917	978516500	/nfs/dbraw/zinc/51/65/00/978516500.db2.gz	YZMXABIEJSIALN-UHFFFAOYSA-N	-1	0	254.289	3.264	20	50		CGGDRM
Cc1ccsc1C(Cc1ccccc1)=NNC(=O)[O-]	ZINC000738329427	978517538	/nfs/dbraw/zinc/51/75/38/978517538.db2.gz	BGYPRTBRBKTZQK-UHFFFAOYSA-N	-1	0	274.345	3.271	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])o2)s1	ZINC000738502730	978548772	/nfs/dbraw/zinc/54/87/72/978548772.db2.gz	KENMLOAMXFXMTK-TWGQIWQCSA-N	-1	0	287.296	3.138	20	50		CGGDRM
CC[C@@H](CC(=O)NNc1ccc(C)c(C(=O)[O-])c1)C(C)C	ZINC001595036337	979193874	/nfs/dbraw/zinc/19/38/74/979193874.db2.gz	APMGWEARBRURCD-LBPRGKRZSA-N	-1	0	292.379	3.209	20	50		CGGDRM
CC[C@H]1CCC[C@]1(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595436618	981070283	/nfs/dbraw/zinc/07/02/83/981070283.db2.gz	SMOKOJZDZIPCOC-ZBEGNZNMSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595585845	981526509	/nfs/dbraw/zinc/52/65/09/981526509.db2.gz	GBXQPYJZRXQDDD-SECBINFHSA-N	-1	0	295.291	3.025	20	50		CGGDRM
N#C/C(=C/c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000915841291	982668348	/nfs/dbraw/zinc/66/83/48/982668348.db2.gz	JWWLBKBNUZFTKV-UITAMQMPSA-N	-1	0	290.731	3.455	20	50		CGGDRM
Cc1ccc(-c2cccc(C=NNC(=O)[O-])c2)cc1	ZINC000832905845	601848338	/nfs/dbraw/zinc/84/83/38/601848338.db2.gz	JEHKAKNBCRELTO-UHFFFAOYSA-N	-1	0	254.289	3.264	20	50		CGGDRM
CC1(C)CCC[C@@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833561891	605737742	/nfs/dbraw/zinc/73/77/42/605737742.db2.gz	YXYZATWGEBHGNP-GFCCVEGCSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)[O-]	ZINC000011960525	956901672	/nfs/dbraw/zinc/90/16/72/956901672.db2.gz	MXDZHYUDNCUQGH-ZROIWOOFSA-N	-1	0	297.285	3.396	20	50		CGGDRM
CC(=NNC(=O)[O-])c1ccc(SCC(F)F)cc1	ZINC000736125472	978305259	/nfs/dbraw/zinc/30/52/59/978305259.db2.gz	ITTQNEGXDIKHAA-UHFFFAOYSA-N	-1	0	274.292	3.035	20	50		CGGDRM
Cc1nc(/C(C#N)=C\c2ccoc2C(=O)[O-])sc1C	ZINC000738841934	978604653	/nfs/dbraw/zinc/60/46/53/978604653.db2.gz	VGPDYBZNKJAVLM-YHYXMXQVSA-N	-1	0	274.301	3.115	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595586779	981536113	/nfs/dbraw/zinc/53/61/13/981536113.db2.gz	OVODCZLQMRWSNX-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
CCc1ccc(NNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC001597551187	988272376	/nfs/dbraw/zinc/27/23/76/988272376.db2.gz	CMFTYPRXOOFRCC-UHFFFAOYSA-N	-1	0	299.330	3.096	20	50		CGGDRM
CC(C)CCCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591236791	992119749	/nfs/dbraw/zinc/11/97/49/992119749.db2.gz	OXVIDHSDWHIBNY-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
Cc1ccccc1NNC(=O)c1ccc(C)c(NC(=O)[O-])c1	ZINC000830585896	603532130	/nfs/dbraw/zinc/53/21/30/603532130.db2.gz	HCRREOCYVYIMPZ-UHFFFAOYSA-N	-1	0	299.330	3.150	20	50		CGGDRM
Cc1ccccc1NNC(=O)c1ccc(NC(=O)[O-])c(C)c1	ZINC000830586716	605594252	/nfs/dbraw/zinc/59/42/52/605594252.db2.gz	OMLSSIIGBVGJEN-UHFFFAOYSA-N	-1	0	299.330	3.150	20	50		CGGDRM
CC1(C)CCC[C@@H](C(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833560603	605724077	/nfs/dbraw/zinc/72/40/77/605724077.db2.gz	IKYDNTZGZKGGRU-LLVKDONJSA-N	-1	0	290.363	3.044	20	50		CGGDRM
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)[O-]	ZINC000381472093	971761407	/nfs/dbraw/zinc/76/14/07/971761407.db2.gz	MZORXPJYDHKHME-UTCJRWHESA-N	-1	0	260.051	3.124	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])o2)c1C	ZINC000738681484	978587855	/nfs/dbraw/zinc/58/78/55/978587855.db2.gz	DJXQFHYSMBEYIZ-XYOKQWHBSA-N	-1	0	295.294	3.385	20	50		CGGDRM
CC[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001595036761	979200292	/nfs/dbraw/zinc/20/02/92/979200292.db2.gz	YFGKLNBBOVYZTK-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCC(CC)[C@@H](C)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595105802	979425997	/nfs/dbraw/zinc/42/59/97/979425997.db2.gz	SOJVQFQTMYXKKS-SNVBAGLBSA-N	-1	0	292.379	3.209	20	50		CGGDRM
CC[C@@H]1CCC[C@]1(C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595436616	981070148	/nfs/dbraw/zinc/07/01/48/981070148.db2.gz	SMOKOJZDZIPCOC-BZNIZROVSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595535651	981378192	/nfs/dbraw/zinc/37/81/92/981378192.db2.gz	DKZIYURAIIBFJU-LBPRGKRZSA-N	-1	0	292.379	3.209	20	50		CGGDRM
C=Cc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)cc1	ZINC001588919446	984572141	/nfs/dbraw/zinc/57/21/41/984572141.db2.gz	MHBQBDDVLATTHK-UHFFFAOYSA-N	-1	0	296.326	3.093	20	50		CGGDRM
C/C(=C/C(=O)NNc1ccc(C)c(C(=O)[O-])c1)C(C)(C)C	ZINC001588943260	984640456	/nfs/dbraw/zinc/64/04/56/984640456.db2.gz	YBSYERLHCGWGPM-FLIBITNWSA-N	-1	0	290.363	3.129	20	50		CGGDRM
CC(C)(C)CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC001589771839	988125186	/nfs/dbraw/zinc/12/51/86/988125186.db2.gz	KASSFDOESSVFKI-UHFFFAOYSA-N	-1	0	292.379	3.434	20	50		CGGDRM
COc1ccc(/C=C(\C#N)C(=O)[O-])cc1OCCC(C)C	ZINC001599540839	997838929	/nfs/dbraw/zinc/83/89/29/997838929.db2.gz	GNBMPPUHUADBAA-MDWZMJQESA-N	-1	0	289.331	3.112	20	50		CGGDRM
CC(=NNC(=O)[O-])[C@H](C)Oc1ccc(Cl)cc1Cl	ZINC000825798809	601386218	/nfs/dbraw/zinc/38/62/18/601386218.db2.gz	ZCURAWJVPGYLPE-ZETCQYMHSA-N	-1	0	291.134	3.404	20	50		CGGDRM
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)C(=O)[O-]	ZINC000832116314	601613281	/nfs/dbraw/zinc/61/32/81/601613281.db2.gz	QEZSIYPMCOGGDI-XNTDXEJSSA-N	-1	0	279.295	3.354	20	50		CGGDRM
CN(N=Cc1ccc(Cl)cc1Br)C(=O)[O-]	ZINC000828435161	605173014	/nfs/dbraw/zinc/17/30/14/605173014.db2.gz	ZVVUAVAJDYNFSF-UHFFFAOYSA-N	-1	0	291.532	3.046	20	50		CGGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccccc1F	ZINC000774116383	955325637	/nfs/dbraw/zinc/32/56/37/955325637.db2.gz	WLWNRXCQNUZAPL-LCYFTJDESA-N	-1	0	295.269	3.314	20	50		CGGDRM
CCC[C@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736963989	978370167	/nfs/dbraw/zinc/37/01/67/978370167.db2.gz	BGDHDPCFBMIODF-VIFPVBQESA-N	-1	0	295.291	3.025	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)[O-])o1	ZINC001595101979	979413885	/nfs/dbraw/zinc/41/38/85/979413885.db2.gz	XTMMSGQFIJTYJS-GHYOLMRSSA-N	-1	0	287.315	3.290	20	50		CGGDRM
C[C@@H](C=NN(C)C(=O)[O-])c1cccc(Br)c1	ZINC000824542398	603579688	/nfs/dbraw/zinc/57/96/88/603579688.db2.gz	BCZKZODNYOUOQH-QMMMGPOBSA-N	-1	0	285.141	3.148	20	50		CGGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1	ZINC000113835805	949232565	/nfs/dbraw/zinc/23/25/65/949232565.db2.gz	PAMCJMVCMBVXIV-UKTHLTGXSA-N	-1	0	289.294	3.325	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)C1CCCC1	ZINC000781554307	955342548	/nfs/dbraw/zinc/34/25/48/955342548.db2.gz	MEVMXBGWKDFLDN-NTEUORMPSA-N	-1	0	269.300	3.051	20	50		CGGDRM
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)[O-]	ZINC000738481737	978545881	/nfs/dbraw/zinc/54/58/81/978545881.db2.gz	LJVKAEHHZBIFMB-UHFFFAOYSA-N	-1	0	297.380	3.190	20	50		CGGDRM
CCC/C(C)=C\C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595567042	981465455	/nfs/dbraw/zinc/46/54/55/981465455.db2.gz	VTAQPWJSJRIUHD-CLFYSBASSA-N	-1	0	296.754	3.228	20	50		CGGDRM
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000918714402	982687755	/nfs/dbraw/zinc/68/77/55/982687755.db2.gz	UUXLDUYHKUHBAI-MDWZMJQESA-N	-1	0	271.316	3.297	20	50		CGGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1nc2ccccc2s1	ZINC000833063367	601789624	/nfs/dbraw/zinc/78/96/24/601789624.db2.gz	JCDOUKYMFNFGMT-BJMVGYQFSA-N	-1	0	295.323	3.387	20	50		CGGDRM
CC1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCC1	ZINC000833552701	605245926	/nfs/dbraw/zinc/24/59/26/605245926.db2.gz	HNYMRXPWSBOPDN-UHFFFAOYSA-N	-1	0	296.754	3.062	20	50		CGGDRM
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)[O-]	ZINC000011960529	956900829	/nfs/dbraw/zinc/90/08/29/956900829.db2.gz	MXDZHYUDNCUQGH-NTEUORMPSA-N	-1	0	297.285	3.396	20	50		CGGDRM
CC(=NNC(=O)[O-])c1ccc(SCC(F)(F)F)cc1	ZINC000736121224	978304098	/nfs/dbraw/zinc/30/40/98/978304098.db2.gz	KYEKOPBNUUOASI-UHFFFAOYSA-N	-1	0	292.282	3.333	20	50		CGGDRM
CC[C@H](CC(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595035441	979185339	/nfs/dbraw/zinc/18/53/39/979185339.db2.gz	GAZJEAZKLCANSB-SNVBAGLBSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC[C@@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C	ZINC001595037176	979204303	/nfs/dbraw/zinc/20/43/03/979204303.db2.gz	RRAGEQKDBCNSPA-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1ccc2ccccc2n1	ZINC000833064529	601793143	/nfs/dbraw/zinc/79/31/43/601793143.db2.gz	SEDMLKKPFBHFNJ-QPEQYQDCSA-N	-1	0	289.294	3.325	20	50		CGGDRM
CC[C@@H](CC(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC001595037082	979203226	/nfs/dbraw/zinc/20/32/26/979203226.db2.gz	OKNHFVNXFQLYKJ-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCCN(N=C1CCC[C@H](C(=O)[O-])C1)C(=O)OC(C)(C)C	ZINC001595894447	982929118	/nfs/dbraw/zinc/92/91/18/982929118.db2.gz	FJCVJHICUBFAFN-NSHDSACASA-N	-1	0	298.383	3.264	20	50		CGGDRM
CCc1ccc(NNC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC001597551466	988275130	/nfs/dbraw/zinc/27/51/30/988275130.db2.gz	HROMOEMPFMBXMU-UHFFFAOYSA-N	-1	0	298.342	3.013	20	50		CGGDRM
CCc1oc(/C=C(\C#N)C(=O)[C@H](C)CC)cc1C(=O)[O-]	ZINC001597790954	989316660	/nfs/dbraw/zinc/31/66/60/989316660.db2.gz	GJXGPDKSWSYKKZ-ZFZMKPAXSA-N	-1	0	275.304	3.062	20	50		CGGDRM
CCc1oc(/C=C(/C#N)C(=O)[C@@H](C)CC)cc1C(=O)[O-]	ZINC001597790951	989316711	/nfs/dbraw/zinc/31/67/11/989316711.db2.gz	GJXGPDKSWSYKKZ-LKJZUNMESA-N	-1	0	275.304	3.062	20	50		CGGDRM
CCc1oc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1C(=O)[O-]	ZINC001597791841	989326626	/nfs/dbraw/zinc/32/66/26/989326626.db2.gz	UQJRUJPEGTWYDA-POHAHGRESA-N	-1	0	289.331	3.452	20	50		CGGDRM
CN(Cc1ccc(C(=O)[O-])cc1)/C(=C\C#N)c1ccccc1	ZINC000833696431	605047958	/nfs/dbraw/zinc/04/79/58/605047958.db2.gz	MGVJKRSHFBBQAS-BOPFTXTBSA-N	-1	0	292.338	3.381	20	50		CGGDRM
CN(N=Cc1cc(Br)ccc1Cl)C(=O)[O-]	ZINC000828434684	605239542	/nfs/dbraw/zinc/23/95/42/605239542.db2.gz	JAIYHPSNHAJVJF-UHFFFAOYSA-N	-1	0	291.532	3.046	20	50		CGGDRM
CCCCOc1ccc(/C=C(/C#N)C(=O)[O-])cc1OCC	ZINC000011863075	956895293	/nfs/dbraw/zinc/89/52/93/956895293.db2.gz	VHRZCICTFHUPCC-LCYFTJDESA-N	-1	0	289.331	3.256	20	50		CGGDRM
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)[O-])o2)cc1	ZINC000034848227	957195083	/nfs/dbraw/zinc/19/50/83/957195083.db2.gz	GPBCGDOBANGKFK-WQLSENKSSA-N	-1	0	253.257	3.247	20	50		CGGDRM
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)[O-]	ZINC000048534292	957459126	/nfs/dbraw/zinc/45/91/26/957459126.db2.gz	YGOMKOMULFUHCU-IZZDOVSWSA-N	-1	0	255.298	3.407	20	50		CGGDRM
N#C/C(=C\c1cc(Br)ccc1Cl)C(=O)[O-]	ZINC000225223225	959860113	/nfs/dbraw/zinc/86/01/13/959860113.db2.gz	QKHRAMXWURXNME-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C/c2ccc(C(=O)[O-])cn2)n1	ZINC001592009102	976685057	/nfs/dbraw/zinc/68/50/57/976685057.db2.gz	XSWZHKKHBDKIHH-VZUCSPMQSA-N	-1	0	299.355	3.424	20	50		CGGDRM
Cc1ccc(C(=O)/C(C#N)=C/c2ccoc2C(=O)[O-])s1	ZINC000738504154	978548808	/nfs/dbraw/zinc/54/88/08/978548808.db2.gz	RFRNVSXFSKORQO-UXBLZVDNSA-N	-1	0	287.296	3.138	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])c(F)c1)C(=O)C1CCCC1	ZINC000849178788	979486906	/nfs/dbraw/zinc/48/69/06/979486906.db2.gz	HKYGRSDMGPQFTO-KPKJPENVSA-N	-1	0	287.290	3.190	20	50		CGGDRM
C[C@@H](CSCCO[Si](C)(C)C(C)(C)C)C(=O)[O-]	ZINC001592825856	979546203	/nfs/dbraw/zinc/54/62/03/979546203.db2.gz	MEFLRHXJSHIAHO-JTQLQIEISA-N	-1	0	278.490	3.462	20	50		CGGDRM
CC(C)(C)OC(=O)NN=C1CCC[C@@H](CCCC(=O)[O-])C1	ZINC001590232659	989607763	/nfs/dbraw/zinc/60/77/63/989607763.db2.gz	JUBFNLFGWYKHNN-NSHDSACASA-N	-1	0	298.383	3.312	20	50		CGGDRM
CC(C)c1csc(/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)n1	ZINC000827139841	601790283	/nfs/dbraw/zinc/79/02/83/601790283.db2.gz	SHVFYFRHXNYWOT-XCVCLJGOSA-N	-1	0	287.344	3.357	20	50		CGGDRM
CCOc1cc(/C=C(\C#N)C(=O)[O-])ccc1OCC(C)C	ZINC000007155558	956880144	/nfs/dbraw/zinc/88/01/44/956880144.db2.gz	JYCLBKXJTLNDIW-NTUHNPAUSA-N	-1	0	289.331	3.112	20	50		CGGDRM
C[C@H](CC=NN(C(=O)c1ccccc1)C(C)(C)C)C(=O)[O-]	ZINC001592463506	978188593	/nfs/dbraw/zinc/18/85/93/978188593.db2.gz	CLNCOFIFLYUMON-GFCCVEGCSA-N	-1	0	290.363	3.024	20	50		CGGDRM
CCC(CC)(CC)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595057655	979301195	/nfs/dbraw/zinc/30/11/95/979301195.db2.gz	AWFPBZYEQVDQCR-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(C)c(C(=O)[O-])o1	ZINC001594791385	981850433	/nfs/dbraw/zinc/85/04/33/981850433.db2.gz	KELFHSXXLXMLDC-YFHOEESVSA-N	-1	0	275.304	3.199	20	50		CGGDRM
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1F	ZINC001594865400	982166703	/nfs/dbraw/zinc/16/67/03/982166703.db2.gz	UQOTXSOHZUFPHD-DKBJHAQFSA-N	-1	0	275.279	3.046	20	50		CGGDRM
CC[C@H](C)CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC001594959298	982705640	/nfs/dbraw/zinc/70/56/40/982705640.db2.gz	QGDANBRVXLHVEP-LBPRGKRZSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CC(C)C[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591134169	991836867	/nfs/dbraw/zinc/83/68/67/991836867.db2.gz	PUKYFQCGTMDAIO-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
CC(=NNC(=O)[O-])[C@H](C)c1nc2ccccc2s1	ZINC000823527180	604084756	/nfs/dbraw/zinc/08/47/56/604084756.db2.gz	ICLRBZKRBHFNML-ZETCQYMHSA-N	-1	0	263.322	3.043	20	50		CGGDRM
CCCN(CCC)c1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000144228185	958987011	/nfs/dbraw/zinc/98/70/11/958987011.db2.gz	YQCVBWWKEILZCJ-KAMYIIQDSA-N	-1	0	272.348	3.305	20	50		CGGDRM
N#C/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-]	ZINC000727432240	978291931	/nfs/dbraw/zinc/29/19/31/978291931.db2.gz	AXTUAVBWWWONLY-CLTKARDFSA-N	-1	0	275.613	3.350	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C\c2ccoc2C(=O)[O-])c1C	ZINC000738682282	978587994	/nfs/dbraw/zinc/58/79/94/978587994.db2.gz	SOFZSILACCRUOI-JYRVWZFOSA-N	-1	0	295.294	3.385	20	50		CGGDRM
CC(=NNC(=O)CC(C)(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814834441	978890743	/nfs/dbraw/zinc/89/07/43/978890743.db2.gz	GEKYEOCTSXCRTC-NSHDSACASA-N	-1	0	284.400	3.196	20	50		CGGDRM
CC[C@@H](CC(C)C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595035440	979185327	/nfs/dbraw/zinc/18/53/27/979185327.db2.gz	GAZJEAZKLCANSB-JTQLQIEISA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCC(C)(C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000828609061	600818244	/nfs/dbraw/zinc/81/82/44/600818244.db2.gz	LKPSJEHMMBKBQO-UHFFFAOYSA-N	-1	0	295.291	3.025	20	50		CGGDRM
N#C/C(=C/c1ccoc1C(=O)[O-])C(=O)C1CCCCC1	ZINC000833062787	604619827	/nfs/dbraw/zinc/61/98/27/604619827.db2.gz	DWGICXZTNTZFJG-WQLSENKSSA-N	-1	0	273.288	3.034	20	50		CGGDRM
N#C/C(=C\c1ccoc1C(=O)[O-])C(=O)C1CCCCC1	ZINC000833062788	604619845	/nfs/dbraw/zinc/61/98/45/604619845.db2.gz	DWGICXZTNTZFJG-XYOKQWHBSA-N	-1	0	273.288	3.034	20	50		CGGDRM
CC(C)c1ccc(NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1	ZINC001588968889	962660012	/nfs/dbraw/zinc/66/00/12/962660012.db2.gz	SJMMEVMFTGMWJU-ZDUSSCGKSA-N	-1	0	292.379	3.000	20	50		CGGDRM
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000588534540	974965195	/nfs/dbraw/zinc/96/51/95/974965195.db2.gz	PMLBHDRZEHLUGP-XFSBKJJWSA-N	-1	0	275.613	3.350	20	50		CGGDRM
CC(CC(C)(C)CC(=O)[O-])=NNC(=O)c1cc(C)cs1	ZINC001592445265	978110795	/nfs/dbraw/zinc/11/07/95/978110795.db2.gz	YWIHNBIFLHWNMT-UHFFFAOYSA-N	-1	0	296.392	3.053	20	50		CGGDRM
N#C/C(=C\c1ccc(-c2cccc(F)c2F)o1)C(=O)[O-]	ZINC000790101291	978798643	/nfs/dbraw/zinc/79/86/43/978798643.db2.gz	LFHJOSNVOMAGNP-SOFGYWHQSA-N	-1	0	275.210	3.216	20	50		CGGDRM
CC[C@H](CC(=O)NNc1ccc(C)c(C(=O)[O-])c1)C(C)C	ZINC001595036336	979193939	/nfs/dbraw/zinc/19/39/39/979193939.db2.gz	APMGWEARBRURCD-GFCCVEGCSA-N	-1	0	292.379	3.209	20	50		CGGDRM
N#C/C=C(\c1ccccc1)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC000833062586	601144740	/nfs/dbraw/zinc/14/47/40/601144740.db2.gz	NULHZYNGNRHOOE-CAOOACKPSA-N	-1	0	290.322	3.265	20	50		CGGDRM
CC1(C)CCC(C(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC000833556791	605735110	/nfs/dbraw/zinc/73/51/10/605735110.db2.gz	HTNGSYQZPLKTMA-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC(C)CC1(C(=O)NNc2cccc(C(=O)[O-])c2)CCC1	ZINC000833478951	605774187	/nfs/dbraw/zinc/77/41/87/605774187.db2.gz	BDIALLXHQFTGHI-UHFFFAOYSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000007155525	956880489	/nfs/dbraw/zinc/88/04/89/956880489.db2.gz	YQCVBWWKEILZCJ-SDNWHVSQSA-N	-1	0	272.348	3.305	20	50		CGGDRM
CCCCCOc1cc(/C=C(/C#N)C(=O)[O-])ccc1OC	ZINC000011863222	956895693	/nfs/dbraw/zinc/89/56/93/956895693.db2.gz	JLFIYTWJHSNTNX-LCYFTJDESA-N	-1	0	289.331	3.256	20	50		CGGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)C1CCCCC1	ZINC000128905131	958685129	/nfs/dbraw/zinc/68/51/29/958685129.db2.gz	DHMQAYNUKBHZSU-GDNBJRDFSA-N	-1	0	283.327	3.441	20	50		CGGDRM
CC(=NNC(=O)OC(C)(C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000495660449	974261336	/nfs/dbraw/zinc/26/13/36/974261336.db2.gz	YNMTVVDJLVVFNQ-JTQLQIEISA-N	-1	0	286.372	3.168	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000736892716	978364315	/nfs/dbraw/zinc/36/43/15/978364315.db2.gz	AVQAUISJWFJVNS-NTEUORMPSA-N	-1	0	271.316	3.297	20	50		CGGDRM
O=C([O-])NN=Cc1cccc(OCCCc2ccccc2)c1	ZINC000738659339	978583585	/nfs/dbraw/zinc/58/35/85/978583585.db2.gz	WOLJUYRWSROBMB-UHFFFAOYSA-N	-1	0	298.342	3.300	20	50		CGGDRM
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)c1	ZINC000832875085	601790649	/nfs/dbraw/zinc/79/06/49/601790649.db2.gz	PSQYXUYOJXFHDP-MKMNVTDBSA-N	-1	0	294.310	3.120	20	50		CGGDRM
C[C@@H]1CCC[C@@H](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833611010	605735605	/nfs/dbraw/zinc/73/56/05/605735605.db2.gz	LXSTWMIIYWINFU-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
Cc1cc(C)c(NNC(=O)c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000820968226	955485583	/nfs/dbraw/zinc/48/55/83/955485583.db2.gz	WEZPJMLJJJIYMG-UHFFFAOYSA-N	-1	0	298.342	3.067	20	50		CGGDRM
N#C/C(=C\c1ccc(Br)cc1Cl)C(=O)[O-]	ZINC000135278359	958886988	/nfs/dbraw/zinc/88/69/88/958886988.db2.gz	REFXBWLGDJUCNK-XVNBXDOJSA-N	-1	0	286.512	3.094	20	50		CGGDRM
CC(=NNC(=O)OC(C)(C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000495660450	974260684	/nfs/dbraw/zinc/26/06/84/974260684.db2.gz	YNMTVVDJLVVFNQ-SNVBAGLBSA-N	-1	0	286.372	3.168	20	50		CGGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])cs1	ZINC000782199918	978791874	/nfs/dbraw/zinc/79/18/74/978791874.db2.gz	JSIGGXFNDTYVNN-UMYFRRCYSA-N	-1	0	277.345	3.359	20	50		CGGDRM
CCC[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595570626	981474489	/nfs/dbraw/zinc/47/44/89/981474489.db2.gz	FLNSEFAEURIGIK-VIFPVBQESA-N	-1	0	298.770	3.308	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595586511	981533523	/nfs/dbraw/zinc/53/35/23/981533523.db2.gz	CEPYJMHEJFIDJR-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
O=C([O-])NN=Cc1ccc(OCc2ccc(F)cc2)cc1	ZINC000833280647	602180167	/nfs/dbraw/zinc/18/01/67/602180167.db2.gz	OJAPRFSPUZGOJZ-UHFFFAOYSA-N	-1	0	288.278	3.006	20	50		CGGDRM
COc1ccc(-c2ccccc2)cc1C=NN(C)C(=O)[O-]	ZINC000829234703	603604473	/nfs/dbraw/zinc/60/44/73/603604473.db2.gz	RAKJBFGRSJVEPJ-UHFFFAOYSA-N	-1	0	284.315	3.306	20	50		CGGDRM
C[C@@H]1CCC[C@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833609898	605721871	/nfs/dbraw/zinc/72/18/71/605721871.db2.gz	GWQQWVQGHWRLOT-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833607511	605721934	/nfs/dbraw/zinc/72/19/34/605721934.db2.gz	CZEBEWPOBNOFLU-VXGBXAGGSA-N	-1	0	290.363	3.044	20	50		CGGDRM
C[C@H]1CCCC[C@@H]1CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607300	605730763	/nfs/dbraw/zinc/73/07/63/605730763.db2.gz	CGGSUWBNBVHNHY-NWDGAFQWSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC1(C)CCC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833561892	605737803	/nfs/dbraw/zinc/73/78/03/605737803.db2.gz	YXYZATWGEBHGNP-LBPRGKRZSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])oc1C	ZINC001595101779	979412492	/nfs/dbraw/zinc/41/24/92/979412492.db2.gz	FSOXFWNFLJXRKL-SDQBBNPISA-N	-1	0	275.304	3.199	20	50		CGGDRM
CCC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)C(C)C	ZINC001595535985	981379314	/nfs/dbraw/zinc/37/93/14/981379314.db2.gz	KRCVLMGLLHOGAE-LLVKDONJSA-N	-1	0	296.342	3.039	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccsc1C(=O)[O-]	ZINC001595567391	981467190	/nfs/dbraw/zinc/46/71/90/981467190.db2.gz	KBHRTTDCYFTFBG-MDXIRLPMSA-N	-1	0	277.345	3.359	20	50		CGGDRM
C[C@H]1[C@H](CNc2ccc(Cl)c(C(=O)[O-])c2)[C@H]1Cl	ZINC001594191472	998748572	/nfs/dbraw/zinc/74/85/72/998748572.db2.gz	YTDKRFFZFUMQKL-IHBFAXJASA-N	-1	0	274.147	3.323	20	50		CGGDRM
CCC(CC)(CNC(=O)c1cccc(CCl)c1)C(=O)[O-]	ZINC001589500353	955029901	/nfs/dbraw/zinc/02/99/01/955029901.db2.gz	LHZSXRPTHRGLSY-UHFFFAOYSA-N	-1	0	297.782	3.046	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1ccsc1	ZINC000044028137	967527434	/nfs/dbraw/zinc/52/74/34/967527434.db2.gz	NRVQHPMBVNWFJB-NTUHNPAUSA-N	-1	0	283.308	3.236	20	50		CGGDRM
C[C@H](CCC(C)(C)C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001592477691	978246219	/nfs/dbraw/zinc/24/62/19/978246219.db2.gz	MSUFTYQWKBHWSI-LLVKDONJSA-N	-1	0	292.379	3.290	20	50		CGGDRM
CC(C)CC(=NNC(=O)[O-])c1ccc(Cl)cc1	ZINC000736397172	978329128	/nfs/dbraw/zinc/32/91/28/978329128.db2.gz	RPCJHOCXXPPJSR-UHFFFAOYSA-N	-1	0	254.717	3.358	20	50		CGGDRM
CCCC(C)(C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595538474	981392203	/nfs/dbraw/zinc/39/22/03/981392203.db2.gz	LXDVHEFXMCISIB-UHFFFAOYSA-N	-1	0	296.342	3.183	20	50		CGGDRM
CCCC[C@](C)(F)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595630909	981829018	/nfs/dbraw/zinc/82/90/18/981829018.db2.gz	URQGUYLVUIIFMA-HNNXBMFYSA-N	-1	0	296.342	3.055	20	50		CGGDRM
CCCCCCCC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001595703660	982270815	/nfs/dbraw/zinc/27/08/15/982270815.db2.gz	WEAQHASZVFUYAT-UHFFFAOYSA-N	-1	0	292.379	3.117	20	50		CGGDRM
CC(C)(C)C[C@@H](NC(=O)c1cccc(CCl)c1)C(=O)[O-]	ZINC001589750819	988047894	/nfs/dbraw/zinc/04/78/94/988047894.db2.gz	FCWOGYFUFWHUTD-GFCCVEGCSA-N	-1	0	297.782	3.045	20	50		CGGDRM
C[C@H](SCCO[Si](C)(C)C(C)(C)C)C(=O)[O-]	ZINC001593661649	996039010	/nfs/dbraw/zinc/03/90/10/996039010.db2.gz	JZADABHCRVDFAD-VIFPVBQESA-N	-1	0	264.463	3.215	20	50		CGGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832963860	601790606	/nfs/dbraw/zinc/79/06/06/601790606.db2.gz	SOPCYSALWKQKRT-AWNIVKPZSA-N	-1	0	294.310	3.120	20	50		CGGDRM
CC1(C)CCC[C@H](C(=O)NNc2ccccc2C(=O)[O-])C1	ZINC000833560606	605724088	/nfs/dbraw/zinc/72/40/88/605724088.db2.gz	IKYDNTZGZKGGRU-NSHDSACASA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC(CC)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])c(C)o1	ZINC000736893884	978364873	/nfs/dbraw/zinc/36/48/73/978364873.db2.gz	MUHFJNMIXRKXRO-WDZFZDKYSA-N	-1	0	275.304	3.199	20	50		CGGDRM
N#C/C(=C/c1ccc(-c2cccc(F)c2F)o1)C(=O)[O-]	ZINC000790101294	978798783	/nfs/dbraw/zinc/79/87/83/978798783.db2.gz	LFHJOSNVOMAGNP-VURMDHGXSA-N	-1	0	275.210	3.216	20	50		CGGDRM
CC(C)(C)C(C)(C)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001589698619	987781727	/nfs/dbraw/zinc/78/17/27/987781727.db2.gz	FEAWGSHNTQIWEK-UHFFFAOYSA-N	-1	0	296.342	3.039	20	50		CGGDRM
C[C@@H]1[C@H](Cl)[C@@H]1CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC001594191473	998748245	/nfs/dbraw/zinc/74/82/45/998748245.db2.gz	YTDKRFFZFUMQKL-OIVXANJASA-N	-1	0	274.147	3.323	20	50		CGGDRM
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833638451	605243788	/nfs/dbraw/zinc/24/37/88/605243788.db2.gz	MREYAETVCWLWAC-DTWKUNHWSA-N	-1	0	298.770	3.164	20	50		CGGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)OC1CCCCC1	ZINC000014178735	957096687	/nfs/dbraw/zinc/09/66/87/957096687.db2.gz	KTJNOENHLYUWRS-GXDHUFHOSA-N	-1	0	299.326	3.168	20	50		CGGDRM
Cc1c(F)cccc1-c1ccc(/C=C(/C#N)C(=O)[O-])o1	ZINC000734482087	978301765	/nfs/dbraw/zinc/30/17/65/978301765.db2.gz	ACQMGCSNABRBJO-YFHOEESVSA-N	-1	0	271.247	3.386	20	50		CGGDRM
CCCCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736985630	978370864	/nfs/dbraw/zinc/37/08/64/978370864.db2.gz	XWUAAHHBSCNDCZ-UHFFFAOYSA-N	-1	0	295.291	3.169	20	50		CGGDRM
N#C/C(=C\c1cc(C(=O)[O-])cs1)C(=O)C1CCCC1	ZINC000782207860	978791827	/nfs/dbraw/zinc/79/18/27/978791827.db2.gz	TWJSNMSIJSTGQA-BJMVGYQFSA-N	-1	0	275.329	3.113	20	50		CGGDRM
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595440133	981075990	/nfs/dbraw/zinc/07/59/90/981075990.db2.gz	HGKVZGTVJZRTRL-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)c(C(=O)[O-])o1	ZINC001595567435	981467900	/nfs/dbraw/zinc/46/79/00/981467900.db2.gz	LLZCVUWIXAVBDQ-MDXIRLPMSA-N	-1	0	275.304	3.199	20	50		CGGDRM
CCCC(CCC)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595586934	981537461	/nfs/dbraw/zinc/53/74/61/981537461.db2.gz	VNJSWJIFNFQAGK-UHFFFAOYSA-N	-1	0	278.352	3.044	20	50		CGGDRM
CCCC[C@@H](CC)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC001595632052	981848118	/nfs/dbraw/zinc/84/81/18/981848118.db2.gz	PUPULLDZEUGMTF-GFCCVEGCSA-N	-1	0	292.379	3.434	20	50		CGGDRM
CCc1oc(/C=C(\C#N)C(=O)C2CCCC2)cc1C(=O)[O-]	ZINC001597791583	989324125	/nfs/dbraw/zinc/32/41/25/989324125.db2.gz	RHFJGGXAIUPRSM-YRNVUSSQSA-N	-1	0	287.315	3.206	20	50		CGGDRM
CC(C)(C)OC(=O)NN=C1CCC[C@H](CCCC(=O)[O-])C1	ZINC001590232658	989607596	/nfs/dbraw/zinc/60/75/96/989607596.db2.gz	JUBFNLFGWYKHNN-LLVKDONJSA-N	-1	0	298.383	3.312	20	50		CGGDRM
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)c1	ZINC000832875443	601331529	/nfs/dbraw/zinc/33/15/29/601331529.db2.gz	UAHBDBUDODQYLG-MDWZMJQESA-N	-1	0	294.310	3.120	20	50		CGGDRM
CC(C)(C)CCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833429319	605245028	/nfs/dbraw/zinc/24/50/28/605245028.db2.gz	IXXRZLJLGDVCDL-UHFFFAOYSA-N	-1	0	298.770	3.308	20	50		CGGDRM
C[C@@H]1CCCC[C@H]1CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607299	605731046	/nfs/dbraw/zinc/73/10/46/605731046.db2.gz	CGGSUWBNBVHNHY-NEPJUHHUSA-N	-1	0	290.363	3.044	20	50		CGGDRM
CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833636154	605731056	/nfs/dbraw/zinc/73/10/56/605731056.db2.gz	JTYJIRKNIIJXHU-HNNXBMFYSA-N	-1	0	298.342	3.022	20	50		CGGDRM