smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000000258405	342681394	/nfs/dbraw/zinc/68/13/94/342681394.db2.gz	OGYAEXJXCNPJOH-SECBINFHSA-N	-1	0	221.187	1.321	40	30		BDEBRM
COC(=O)[C@@H]1C(=O)CC(=O)[C@H]2CCCC[C@@H]21	ZINC000004879614	342753962	/nfs/dbraw/zinc/75/39/62/342753962.db2.gz	MRQAPASIOWPHFB-LAEOZQHASA-N	-1	0	224.256	1.607	40	30		BDEBRM
CCOc1cc(C(=O)[O-])ccc1OCC#N	ZINC000019509167	342950636	/nfs/dbraw/zinc/95/06/36/342950636.db2.gz	HUGALMDLNXDLCC-UHFFFAOYSA-N	-1	0	221.212	1.686	40	30		BDEBRM
O=C([O-])c1c[nH]cc(-c2ccc(F)cc2)c1=O	ZINC000584906593	343716692	/nfs/dbraw/zinc/71/66/92/343716692.db2.gz	SWTXUBRXOXPDLW-JTQLQIEISA-N	-1	0	233.198	1.521	40	30		BDEBRM
O=C([O-])c1ccc(C#CCCCO)s1	ZINC000585144771	343880083	/nfs/dbraw/zinc/88/00/83/343880083.db2.gz	DGIVMEIAIKDIFU-UHFFFAOYSA-N	-1	0	210.254	1.570	40	30		BDEBRM
CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N([O-])C(=O)[C@@H]12	ZINC000095101133	187286786	/nfs/dbraw/zinc/28/67/86/187286786.db2.gz	KEUDCDGBJILYHA-XYHOJCAOSA-N	-1	0	249.310	1.989	40	30		BDEBRM
N#C[C@H](Cc1cc([N+](=O)[O-])ccc1F)C(=O)[O-]	ZINC000585656329	345468485	/nfs/dbraw/zinc/46/84/85/345468485.db2.gz	QZJYFUIZRSGDHR-ZETCQYMHSA-N	-1	0	238.174	1.501	40	30		BDEBRM
C=CCC1([C@H](C)/C=C/C)C(=O)NC(=O)NC1=O	ZINC000001714787	187364651	/nfs/dbraw/zinc/36/46/51/187364651.db2.gz	GLTRRADIYYHNNJ-YZCDNWJKSA-N	-1	0	236.271	1.127	40	30		BDEBRM
C[C@@H](CN=Nc1nnn[n-]1)c1ccccc1	ZINC000006467689	346649228	/nfs/dbraw/zinc/64/92/28/346649228.db2.gz	WHDGXYMSPXPCPZ-LBTPYSACSA-N	-1	0	216.248	1.401	40	30		BDEBRM
COc1cc(C[C@@H](C#N)C(=O)[O-])ccc1O	ZINC000019730260	347358041	/nfs/dbraw/zinc/35/80/41/347358041.db2.gz	YXGZHSGJNOXNQK-QMMMGPOBSA-N	-1	0	221.212	1.168	40	30		BDEBRM
N#Cc1cc(C(=O)[O-])c2cc(F)ccc2n1	ZINC000685937643	538763652	/nfs/dbraw/zinc/76/36/52/538763652.db2.gz	VTYKFPRRUPKJRC-UHFFFAOYSA-N	-1	0	216.171	1.944	40	30		BDEBRM
O=C(/C=N/[O-])Nc1ccc(OC(F)(F)F)cc1	ZINC000002510273	181850290	/nfs/dbraw/zinc/85/02/90/181850290.db2.gz	FCMKVCIOAJDYFU-WLRTZDKTSA-N	-1	0	248.160	1.984	40	30		BDEBRM
[O-]/N=C(Br)\C(Br)=N/O	ZINC000006691135	384162807	/nfs/dbraw/zinc/16/28/07/384162807.db2.gz	JJLOZECSMVHQME-IJIVKGSJSA-N	-1	0	245.858	1.352	40	30		BDEBRM
C=CCOC(=O)C=C([O-])c1ccccc1	ZINC000001716758	384449028	/nfs/dbraw/zinc/44/90/28/384449028.db2.gz	UDLGHAZAGPRBHU-UHFFFAOYSA-N	-1	0	204.225	1.989	40	30		BDEBRM
O=C(C=Cc1ccco1)C1=C([O-])CCC1=O	ZINC000104233141	384813373	/nfs/dbraw/zinc/81/33/73/384813373.db2.gz	CLJPXFKAMUGLIG-ARJAWSKDSA-N	-1	0	218.208	1.410	40	30		BDEBRM
Cc1cc(/C=N/OCC(=O)[O-])c(C)n1C	ZINC000068892560	385224796	/nfs/dbraw/zinc/22/47/96/385224796.db2.gz	UJHNHPVXMADHDO-VZUCSPMQSA-N	-1	0	210.233	1.077	40	30		BDEBRM
O=C([O-])C1=CC2=C(CCCC2)N[C@H]1S	ZINC000217677320	385890640	/nfs/dbraw/zinc/89/06/40/385890640.db2.gz	OGMVAEZPALEAEI-VIFPVBQESA-N	-1	0	211.286	1.685	40	30		BDEBRM
CCSc1nc(SC)c(C#N)c(=O)[n-]1	ZINC000095115653	388759828	/nfs/dbraw/zinc/75/98/28/388759828.db2.gz	KVYDAPNLZFJITI-UHFFFAOYSA-N	-1	0	227.314	1.888	40	30		BDEBRM
CC(=NO)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000104804857	168135452	/nfs/dbraw/zinc/13/54/52/168135452.db2.gz	IOKULDITHLGXCJ-ZECSTPGPSA-N	-1	0	231.255	1.875	40	30		BDEBRM
CC1=NOC(=O)/C1=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000096193666	168136564	/nfs/dbraw/zinc/13/65/64/168136564.db2.gz	SJUWIDWUBVKOQK-YWEYNIOJSA-N	-1	0	248.194	1.617	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000226102096	173763383	/nfs/dbraw/zinc/76/33/83/173763383.db2.gz	HHSICBLJJCESTP-SECBINFHSA-N	-1	0	237.642	1.835	40	30		BDEBRM
CCCCCCC[C@@](C)(NC(N)=O)C(=O)[O-]	ZINC000001669709	342707791	/nfs/dbraw/zinc/70/77/91/342707791.db2.gz	UVMFFBCBXJKVKR-LLVKDONJSA-N	-1	0	230.308	1.859	40	30		BDEBRM
Cc1c(Br)c(=O)[n-]cc1C#N	ZINC000048623217	343395250	/nfs/dbraw/zinc/39/52/50/343395250.db2.gz	BZAYTLZKBSWGNW-UHFFFAOYSA-N	-1	0	213.034	1.730	40	30		BDEBRM
O=C([O-])c1cccc(C#CCN2CCCC2=O)c1	ZINC000585145528	343881093	/nfs/dbraw/zinc/88/10/93/343881093.db2.gz	ZXKBLWPXGPKAPN-UHFFFAOYSA-N	-1	0	243.262	1.359	40	30		BDEBRM
O=C([O-])c1ccccc1C#CCn1cccn1	ZINC000585145458	343881237	/nfs/dbraw/zinc/88/12/37/343881237.db2.gz	VWBNBCDSIUWCLJ-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
N#C[C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000585656297	345468505	/nfs/dbraw/zinc/46/85/05/345468505.db2.gz	ADSURIWBAMIKNE-SSDOTTSWSA-N	-1	0	211.167	1.732	40	30		BDEBRM
C/C(=N\[O-])C1C(=O)c2ccccc2C1=O	ZINC000100542568	191063309	/nfs/dbraw/zinc/06/33/09/191063309.db2.gz	PUPVXNUXPWTHAI-WUXMJOGZSA-N	-1	0	203.197	1.532	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccccc2)NC1=O	ZINC000017044760	187933450	/nfs/dbraw/zinc/93/34/50/187933450.db2.gz	MFLUAQHOSAZYSB-JXMROGBWSA-N	-1	0	229.235	1.558	40	30		BDEBRM
C=C(Br)C[N-]C(=O)C(F)(F)F	ZINC000001673696	188007234	/nfs/dbraw/zinc/00/72/34/188007234.db2.gz	YDIHAWZEBRMEBT-UHFFFAOYSA-N	-1	0	231.999	1.574	40	30		BDEBRM
N#Cc1ccccc1NC(=O)/C=C\C(=O)[O-]	ZINC000034689389	181148005	/nfs/dbraw/zinc/14/80/05/181148005.db2.gz	QJUDSOIUMWQRET-WAYWQWQTSA-N	-1	0	216.196	1.138	40	30		BDEBRM
CCCCn1nnnc1/N=C/c1ccccc1O	ZINC000003169891	356639052	/nfs/dbraw/zinc/63/90/52/356639052.db2.gz	ICEXCLXSECBVQN-UKTHLTGXSA-N	-1	0	245.286	1.929	40	30		BDEBRM
CNC(=S)N=NCc1ccc(C(=O)[O-])cc1	ZINC000001968627	367685242	/nfs/dbraw/zinc/68/52/42/367685242.db2.gz	KZUPPLAKFHNYDV-WUXMJOGZSA-N	-1	0	237.284	1.224	40	30		BDEBRM
C=C(C)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000003099968	368864831	/nfs/dbraw/zinc/86/48/31/368864831.db2.gz	GHGCHYOFZGPCNY-UHFFFAOYSA-N	-1	0	205.213	1.899	40	30		BDEBRM
O=C(COc1ccc(/C=N/O)cc1)N1CCCC1	ZINC000226364102	182000382	/nfs/dbraw/zinc/00/03/82/182000382.db2.gz	FJKYOMULZIVRET-NTEUORMPSA-N	-1	0	248.282	1.496	40	30		BDEBRM
O=C([O-])CCc1ccc2c(c1)/C(=N\O)CC2	ZINC000005769980	384130769	/nfs/dbraw/zinc/13/07/69/384130769.db2.gz	WLOBXHMMWIACON-QBFSEMIESA-N	-1	0	219.240	1.828	40	30		BDEBRM
O=C(/C(Cl)=N/[O-])c1ccc(O)c(O)c1	ZINC000104327970	384822067	/nfs/dbraw/zinc/82/20/67/384822067.db2.gz	ZSVQBNPIBKJYIE-NTMALXAHSA-N	-1	0	215.592	1.307	40	30		BDEBRM
C#CCOc1sc(C(=O)OC)c([O-])c1Cl	ZINC000096510968	385248728	/nfs/dbraw/zinc/24/87/28/385248728.db2.gz	VKLIJIDGRCKRPM-UHFFFAOYSA-N	-1	0	246.671	1.906	40	30		BDEBRM
CCOC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000104510413	170244391	/nfs/dbraw/zinc/24/43/91/170244391.db2.gz	DHHMSKCLHVABCE-JTQLQIEISA-N	-1	0	235.214	1.711	40	30		BDEBRM
CCOc1ccc(C(=O)/C=C\C(=O)[O-])cc1	ZINC000033364600	170536216	/nfs/dbraw/zinc/53/62/16/170536216.db2.gz	WKIKNOMECIZQHQ-FPLPWBNLSA-N	-1	0	220.224	1.909	40	30		BDEBRM
COc1ccc(C[C@H](C#N)C(=O)[O-])cc1OC	ZINC000016697632	175116483	/nfs/dbraw/zinc/11/64/83/175116483.db2.gz	KKZDZTIKRNEPQG-SECBINFHSA-N	-1	0	235.239	1.471	40	30		BDEBRM
C[C@@H]1CCCC(C)(C)[C@]1(O)C#CC(=O)[O-]	ZINC000001599885	176062504	/nfs/dbraw/zinc/06/25/04/176062504.db2.gz	CLECYQRDJATPOF-SKDRFNHKSA-N	-1	0	210.273	1.652	40	30		BDEBRM
N#CC(=N[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000254290173	526429819	/nfs/dbraw/zinc/42/98/19/526429819.db2.gz	HJVLCJDWUSCNDF-UHFFFAOYSA-N	-1	0	244.659	1.425	40	30		BDEBRM
O=C([O-])c1ccccc1C=NNc1ccccn1	ZINC000004974634	342755275	/nfs/dbraw/zinc/75/52/75/342755275.db2.gz	KTLKQLVQCFUCET-DHDCSXOGSA-N	-1	0	241.250	1.648	40	30		BDEBRM
O=[N+]([O-])c1cccc(/C(Cl)=N\[O-])c1	ZINC000004716329	342751009	/nfs/dbraw/zinc/75/10/09/342751009.db2.gz	LSAGTJSJWCRWAZ-VQHVLOKHSA-N	-1	0	200.581	1.969	40	30		BDEBRM
C#CCn1c(C(C)=O)cc(C(=O)[O-])c1CC	ZINC000078404570	187234098	/nfs/dbraw/zinc/23/40/98/187234098.db2.gz	QPXOKQVEPLQPQX-UHFFFAOYSA-N	-1	0	219.240	1.585	40	30		BDEBRM
C=CCn1c(C)c(C(=O)[O-])cc1C(C)=O	ZINC000078404542	187234200	/nfs/dbraw/zinc/23/42/00/187234200.db2.gz	UBWFADZRJCPFFO-UHFFFAOYSA-N	-1	0	207.229	1.883	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2cccn2)cc1	ZINC000585145210	343880637	/nfs/dbraw/zinc/88/06/37/343880637.db2.gz	IAJMFERKRCMWEX-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
C=CC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C	ZINC000146053439	345234487	/nfs/dbraw/zinc/23/44/87/345234487.db2.gz	ZPXOGEHHZSOFJX-QMMMGPOBSA-N	-1	0	229.276	1.883	40	30		BDEBRM
N#C[C@@H](Cc1c(F)cccc1F)C(=O)[O-]	ZINC000585656307	345468417	/nfs/dbraw/zinc/46/84/17/345468417.db2.gz	CJVGYPIQMUITHT-ZCFIWIBFSA-N	-1	0	211.167	1.732	40	30		BDEBRM
CC(=O)Oc1ccccc1C#CC(=O)[O-]	ZINC000001565320	346447517	/nfs/dbraw/zinc/44/75/17/346447517.db2.gz	VNTTUKKQHLADDG-UHFFFAOYSA-N	-1	0	204.181	1.048	40	30		BDEBRM
[O-]/N=C\c1nncc(-c2ccccc2)n1	ZINC000100642970	181830668	/nfs/dbraw/zinc/83/06/68/181830668.db2.gz	MUCFVKVYEZRNGZ-GHXNOFRVSA-N	-1	0	200.201	1.347	40	30		BDEBRM
O=c1ccccn1C/C(=N\[O-])c1ccccc1	ZINC000104139185	183002028	/nfs/dbraw/zinc/00/20/28/183002028.db2.gz	NEBICYDVBPHIOZ-WYMLVPIESA-N	-1	0	228.251	1.727	40	30		BDEBRM
O=C([O-])Cc1ccc2c(c1)N/C(=N\O)C2	ZINC000004701329	384078446	/nfs/dbraw/zinc/07/84/46/384078446.db2.gz	YGGIJLHBKXDFJG-UHFFFAOYSA-N	-1	0	206.201	1.069	40	30		BDEBRM
O=C([O-])/C(Cc1ccc([N+](=O)[O-])cc1)=N/O	ZINC000007995844	384191729	/nfs/dbraw/zinc/19/17/29/384191729.db2.gz	FDYHTQWURRLKGH-CSKARUKUSA-N	-1	0	224.172	1.052	40	30	in-vitro	BDEBRM
O=C([O-])C#CC[C@H](O)CCc1ccccc1	ZINC000001628089	384425943	/nfs/dbraw/zinc/42/59/43/384425943.db2.gz	GLWSJJGROBIGJV-LBPRGKRZSA-N	-1	0	218.252	1.458	40	30		BDEBRM
O=C(/C=N/[O-])c1cnc2ccccc2n1	ZINC000016545583	384459770	/nfs/dbraw/zinc/45/97/70/384459770.db2.gz	PSKCYEVSAUCMRS-WUXMJOGZSA-N	-1	0	201.185	1.273	40	30		BDEBRM
O=C1C=C([O-])C(c2ccccc2)=CC1=O	ZINC000104106811	384799625	/nfs/dbraw/zinc/79/96/25/384799625.db2.gz	HWETVAMORRXQRB-UHFFFAOYSA-N	-1	0	200.193	1.664	40	30		BDEBRM
O=C1C=C([O-])c2cc3c(cc2C1=O)OCO3	ZINC000104183200	384807360	/nfs/dbraw/zinc/80/73/60/384807360.db2.gz	MTTLFQBSZBEWAA-UHFFFAOYSA-N	-1	0	218.164	1.236	40	30		BDEBRM
C=CCn1nnc2ccc(C(=O)[O-])cc21	ZINC000218255430	385883395	/nfs/dbraw/zinc/88/33/95/385883395.db2.gz	AMCNAKJCSKVCKQ-UHFFFAOYSA-N	-1	0	203.201	1.316	40	30		BDEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(O)[C@H]2C(=O)[O-]	ZINC000252444332	388625943	/nfs/dbraw/zinc/62/59/43/388625943.db2.gz	DZXZRKNGUCWZFE-MVKOHCKWSA-N	-1	0	227.260	1.114	40	30		BDEBRM
O=C([O-])c1ccc(-n2cccc2C=NO)cc1	ZINC000254295833	388836233	/nfs/dbraw/zinc/83/62/33/388836233.db2.gz	GDBHMVXXUMNMMX-UHFFFAOYSA-N	-1	0	230.223	1.984	40	30		BDEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NC(N)=O	ZINC000254738802	388857982	/nfs/dbraw/zinc/85/79/82/388857982.db2.gz	LEAZPWRDALTESX-UHFFFAOYSA-N	-1	0	244.254	1.384	40	30		BDEBRM
CCOC(=O)/C(=N/[O-])C(=O)c1ccccc1	ZINC000100206545	170179983	/nfs/dbraw/zinc/17/99/83/170179983.db2.gz	XTZATYMLMXUNQW-FMIVXFBMSA-N	-1	0	221.212	1.263	40	30		BDEBRM
CCOC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000000333887	170244544	/nfs/dbraw/zinc/24/45/44/170244544.db2.gz	CXMQFPHQYBORTB-JTQLQIEISA-N	-1	0	217.224	1.572	40	30		BDEBRM
COc1ccc(C[C@@H](C#N)C(=O)[O-])c(OC)c1	ZINC000019730256	175115332	/nfs/dbraw/zinc/11/53/32/175115332.db2.gz	LASCFJMMMNJZQW-VIFPVBQESA-N	-1	0	235.239	1.471	40	30		BDEBRM
CC(C)(C)OC(=O)NC(C)(C)C#CC(=O)[O-]	ZINC000199782764	534866190	/nfs/dbraw/zinc/86/61/90/534866190.db2.gz	MASDBJOBJUMOTH-UHFFFAOYSA-N	-1	0	227.260	1.378	40	30		BDEBRM
CCC(/C=N/Nc1nc(=O)c(C)n[n-]1)CC	ZINC000006210932	342775212	/nfs/dbraw/zinc/77/52/12/342775212.db2.gz	JQYJFBJRMSXSRE-IZZDOVSWSA-N	-1	0	223.280	1.307	40	30		BDEBRM
O=C1N/C(=N\[O-])S/C1=C/c1ccco1	ZINC000032594720	343238724	/nfs/dbraw/zinc/23/87/24/343238724.db2.gz	YZPLQXHXGWFQGB-GQCTYLIASA-N	-1	0	210.214	1.229	40	30		BDEBRM
O=C([O-])c1ccccc1C#CCn1ccnc1	ZINC000585145369	343880505	/nfs/dbraw/zinc/88/05/05/343880505.db2.gz	PIJUZXGNVGAEHH-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
CC[C@@H](/C(=N/O)C1CC1)S(C)(=O)=O	ZINC000096524587	187289178	/nfs/dbraw/zinc/28/91/78/187289178.db2.gz	QFCGVCIXYPMWSB-MXMZYCHESA-N	-1	0	205.279	1.050	40	30		BDEBRM
N#Cc1ccc(C(=O)[O-])c(C(F)(F)F)n1	ZINC000071864283	181101676	/nfs/dbraw/zinc/10/16/76/181101676.db2.gz	MFALOKVJQIUJKP-UHFFFAOYSA-N	-1	0	216.118	1.670	40	30		BDEBRM
[O-]c1ccc(/C=N/n2cnnc2)cc1Cl	ZINC000685937831	538763725	/nfs/dbraw/zinc/76/37/25/538763725.db2.gz	VHHAQQKXJGHIQD-YIXHJXPBSA-N	-1	0	222.635	1.519	40	30		BDEBRM
O=C1[C@@H]2CCCC3CCC[C@H](C(=O)N1[O-])C32	ZINC000012403062	182841636	/nfs/dbraw/zinc/84/16/36/182841636.db2.gz	QFTIVHUUCAVAQP-XWJSGITJSA-N	-1	0	223.272	1.577	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1Cl	ZINC000100947324	384364559	/nfs/dbraw/zinc/36/45/59/384364559.db2.gz	VABLOMCQMPAAPU-MRVPVSSYSA-N	-1	0	237.642	1.835	40	30		BDEBRM
O=C([O-])C=NNc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000016385174	384457350	/nfs/dbraw/zinc/45/73/50/384457350.db2.gz	JMWHNEZTLWFZSG-ONNFQVAWSA-N	-1	0	243.606	1.731	40	30		BDEBRM
CCC[C@@H](O)CCC(=O)C1=C([O-])CCC1=O	ZINC000101176058	384666042	/nfs/dbraw/zinc/66/60/42/384666042.db2.gz	XELANFVNQQLZSI-MRVPVSSYSA-N	-1	0	226.272	1.672	40	30		BDEBRM
C/C(=N\[O-])C(=O)c1cccc([N+](=O)[O-])c1	ZINC000104095733	384799580	/nfs/dbraw/zinc/79/95/80/384799580.db2.gz	ILFGJQKFKSEWSJ-UXBLZVDNSA-N	-1	0	208.173	1.628	40	30		BDEBRM
C=CCc1cc(/C=N/O)cc(OC)c1O	ZINC000409073359	385471172	/nfs/dbraw/zinc/47/11/72/385471172.db2.gz	MMCPWPILLLQCCJ-KPKJPENVSA-N	-1	0	207.229	1.937	40	30		BDEBRM
O=C([O-])C1=CC2=C(CCCC2)N[C@@H]1S	ZINC000217677233	385890742	/nfs/dbraw/zinc/89/07/42/385890742.db2.gz	OGMVAEZPALEAEI-SECBINFHSA-N	-1	0	211.286	1.685	40	30		BDEBRM
C=CCOc1c(CC)c(C(=O)[O-])nn1C	ZINC000045929979	385908655	/nfs/dbraw/zinc/90/86/55/385908655.db2.gz	OPYANDAMBDNUIC-UHFFFAOYSA-N	-1	0	210.233	1.246	40	30		BDEBRM
C=CCOc1c(Cl)c(C(=O)[O-])nn1C	ZINC000045930285	385950911	/nfs/dbraw/zinc/95/09/11/385950911.db2.gz	STTCQPMGTDNSQV-UHFFFAOYSA-N	-1	0	216.624	1.337	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000226102196	386236033	/nfs/dbraw/zinc/23/60/33/386236033.db2.gz	NOOARSCDVWIQCI-SNVBAGLBSA-N	-1	0	233.223	1.191	40	30		BDEBRM
COc1cc([N+](=O)[O-])cc(/C=N/CCC#N)c1[O-]	ZINC000013915566	175017956	/nfs/dbraw/zinc/01/79/56/175017956.db2.gz	UFSJHTOFNNDLFS-NTUHNPAUSA-N	-1	0	249.226	1.642	40	30		BDEBRM
COC(=O)[C@@H]1C(=O)CC(=O)[C@H]2CCCC[C@H]21	ZINC000004879608	342753773	/nfs/dbraw/zinc/75/37/73/342753773.db2.gz	MRQAPASIOWPHFB-RNSXUZJQSA-N	-1	0	224.256	1.607	40	30		BDEBRM
N#C[C@@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575290	342766427	/nfs/dbraw/zinc/76/64/27/342766427.db2.gz	QTKKXJDUWHUMDJ-GARJFASQSA-N	-1	0	248.307	1.409	40	30		BDEBRM
COc1cc(/C=N/O)c(OC)cc1/C=N/[O-]	ZINC000005915354	342771444	/nfs/dbraw/zinc/77/14/44/342771444.db2.gz	FAZRDHBJJMCMAV-YDWXAUTNSA-N	-1	0	224.216	1.320	40	30		BDEBRM
[O-]/N=C1/CCCc2c1nn(-c1ccccc1)[n+]2[O-]	ZINC000090741611	187274726	/nfs/dbraw/zinc/27/47/26/187274726.db2.gz	ZYNLIBFRCCLRLW-UVTDQMKNSA-N	-1	0	244.254	1.020	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2cccn2)s1	ZINC000585145516	343881115	/nfs/dbraw/zinc/88/11/15/343881115.db2.gz	ZDDXQBKGCUPMKP-UHFFFAOYSA-N	-1	0	232.264	1.695	40	30		BDEBRM
O=C([O-])c1cccnc1C#CCn1ccnc1	ZINC000585145180	344179967	/nfs/dbraw/zinc/17/99/67/344179967.db2.gz	GJQFNTBXRQXDAT-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
COc1cccc(C[C@@H](C#N)C(=O)[O-])c1OC	ZINC000585656326	345468419	/nfs/dbraw/zinc/46/84/19/345468419.db2.gz	QGEMAZFWMCOXDM-VIFPVBQESA-N	-1	0	235.239	1.471	40	30		BDEBRM
CC(C)c1ccc(CN=Nc2nnn[n-]2)cc1	ZINC000016575765	347193876	/nfs/dbraw/zinc/19/38/76/347193876.db2.gz	ZWNHKKXTBZGNLD-KPKJPENVSA-N	-1	0	230.275	1.769	40	30		BDEBRM
N#Cc1c(N)[n-]c(=O)nc1-c1cccs1	ZINC000039379125	181076881	/nfs/dbraw/zinc/07/68/81/181076881.db2.gz	NTPQBMKYZYDBOB-UHFFFAOYSA-N	-1	0	218.241	1.365	40	30		BDEBRM
N#Cc1nc(C(=O)[O-])ccc1Br	ZINC000088240592	181167053	/nfs/dbraw/zinc/16/70/53/181167053.db2.gz	TYQJHCWNDSBINB-UHFFFAOYSA-N	-1	0	227.017	1.414	40	30		BDEBRM
O=C([O-])c1n[nH]c(N=Cc2ccccc2)n1	ZINC000003109270	371875083	/nfs/dbraw/zinc/87/50/83/371875083.db2.gz	KEYAASKRYFYXCY-IZZDOVSWSA-N	-1	0	216.200	1.254	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1OC	ZINC000226102155	386235918	/nfs/dbraw/zinc/23/59/18/386235918.db2.gz	QOMVVHQEWCXPGZ-VIFPVBQESA-N	-1	0	233.223	1.191	40	30		BDEBRM
COC(=O)c1cc(C=C(C)C)[n-]c(=O)c1C#N	ZINC000008655362	388668933	/nfs/dbraw/zinc/66/89/33/388668933.db2.gz	SGVGPALSLFMBLP-UHFFFAOYSA-N	-1	0	232.239	1.456	40	30		BDEBRM
Cc1cc(=O)[n-]c(N=NC2CCCC2)n1	ZINC000007891525	177711017	/nfs/dbraw/zinc/71/10/17/177711017.db2.gz	SVJJWACPDGGXNA-UHFFFAOYSA-N	-1	0	206.249	1.420	40	30		BDEBRM
CO/N=C1\C[C@@H](C(=O)[O-])Oc2ccc(F)cc21	ZINC000217604594	173492982	/nfs/dbraw/zinc/49/29/82/173492982.db2.gz	VPZFNIFMPOBBQL-XNFYSYIQSA-N	-1	0	239.202	1.412	40	30		BDEBRM
COc1ccc(/C(=N/[O-])C(C)=O)cc1OC	ZINC000016911533	175045345	/nfs/dbraw/zinc/04/53/45/175045345.db2.gz	VTZUTXOYHXRDHA-VAWYXSNFSA-N	-1	0	223.228	1.471	40	30		BDEBRM
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)/C2=N\[O-]	ZINC000004737947	178271790	/nfs/dbraw/zinc/27/17/90/178271790.db2.gz	TXPJFTDJGBIQCE-FLIBITNWSA-N	-1	0	235.199	1.058	40	30		BDEBRM
O=C1C=CC(=O)c2c(Cl)ccc(O)c21	ZINC000001725263	342711395	/nfs/dbraw/zinc/71/13/95/342711395.db2.gz	GJLFRAOUTIXEIN-UHFFFAOYSA-N	-1	0	208.600	1.981	40	30		BDEBRM
O=C([O-])C(Cl)=C(Cl)C=Nc1nc[nH]n1	ZINC000017130065	342921182	/nfs/dbraw/zinc/92/11/82/342921182.db2.gz	SLJKYSKEHJSPHV-CWBRGPJVSA-N	-1	0	235.030	1.281	40	30		BDEBRM
CC(=O)/C(=N\[O-])C(=O)N(C)c1ccccc1	ZINC000005377915	187247528	/nfs/dbraw/zinc/24/75/28/187247528.db2.gz	CTRDBBAPVGWTLD-ZRDIBKRKSA-N	-1	0	220.228	1.069	40	30		BDEBRM
C/C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\O	ZINC000017300298	187252261	/nfs/dbraw/zinc/25/22/61/187252261.db2.gz	MZISWTHYYSCWSH-UXBLZVDNSA-N	-1	0	239.187	1.896	40	30		BDEBRM
CC(CC(C)C)=NNc1nc(=O)cc(C)[nH]1	ZINC000017003873	187252015	/nfs/dbraw/zinc/25/20/15/187252015.db2.gz	AOZYBNVRQPUAAG-NTEUORMPSA-N	-1	0	222.292	1.912	40	30		BDEBRM
CCOC(=O)C#Cc1ccc(C(=O)[O-])cc1	ZINC000585143670	343878801	/nfs/dbraw/zinc/87/88/01/343878801.db2.gz	FVANLBSVAGFKBV-UHFFFAOYSA-N	-1	0	218.208	1.299	40	30		BDEBRM
O=C([O-])c1cc(C#CCCCO)cs1	ZINC000585145147	344179871	/nfs/dbraw/zinc/17/98/71/344179871.db2.gz	ZIKJARUAENSEEH-UHFFFAOYSA-N	-1	0	210.254	1.570	40	30		BDEBRM
CC(=O)C(=N[N-]c1cccnc1Cl)C(C)=O	ZINC000000035727	187300360	/nfs/dbraw/zinc/30/03/60/187300360.db2.gz	QOVJVBMOFKMFIQ-UHFFFAOYSA-N	-1	0	239.662	1.681	40	30		BDEBRM
Cn1c2ccccc2s/c1=N\N=C\C(=O)[O-]	ZINC000104099961	180605883	/nfs/dbraw/zinc/60/58/83/180605883.db2.gz	ZCLADCIJWYXODG-NRJUULOFSA-N	-1	0	235.268	1.211	40	30		BDEBRM
N#C[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000001580197	181054472	/nfs/dbraw/zinc/05/44/72/181054472.db2.gz	JHRNZUKOUPPCRV-MRVPVSSYSA-N	-1	0	206.157	1.287	40	30		BDEBRM
N=C(NO)/C(=N\[O-])c1nc2ccccc2s1	ZINC000002268942	181200150	/nfs/dbraw/zinc/20/01/50/181200150.db2.gz	HIHRLZSGAOJULV-KPKJPENVSA-N	-1	0	236.256	1.431	40	30		BDEBRM
C=C(COc1ccc(OC)cc1)C(=O)[O-]	ZINC000069906857	259523289	/nfs/dbraw/zinc/52/32/89/259523289.db2.gz	USGUXZDJJHDFTO-UHFFFAOYSA-N	-1	0	208.213	1.715	40	30		BDEBRM
O=[N+]([O-])C=N[N-]c1ccc([N+](=O)[O-])cc1	ZINC000005344444	182919196	/nfs/dbraw/zinc/91/91/96/182919196.db2.gz	DCKGAGIKLJESHL-VMPITWQZSA-N	-1	0	210.149	1.227	40	30		BDEBRM
Oc1ccc(/C=N/NC(=S)[S-])cc1	ZINC000000114519	183266470	/nfs/dbraw/zinc/26/64/70/183266470.db2.gz	PGAHOWAKWYJPDV-WEVVVXLNSA-N	-1	0	212.299	1.530	40	30		BDEBRM
[O-]/N=C(C(=N\O)/c1ccco1)\c1ccco1	ZINC000012359014	384313800	/nfs/dbraw/zinc/31/38/00/384313800.db2.gz	RBOZTFPIXJBLPK-DSOJMZEYSA-N	-1	0	220.184	1.929	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(Cl)c1	ZINC000137659541	384541860	/nfs/dbraw/zinc/54/18/60/384541860.db2.gz	SUOOBNFSYBNWBW-VIFPVBQESA-N	-1	0	237.642	1.835	40	30		BDEBRM
COc1c2c(cc3c1C([O-])=CC(=O)C3=O)OCO2	ZINC000104069210	384797821	/nfs/dbraw/zinc/79/78/21/384797821.db2.gz	CQYZXTQTNOUHQG-UHFFFAOYSA-N	-1	0	248.190	1.245	40	30		BDEBRM
C/C(=N/OCc1cccc(C)c1)C(=O)[O-]	ZINC000096525466	385277547	/nfs/dbraw/zinc/27/75/47/385277547.db2.gz	QOXPLDFVZQXERY-XFXZXTDPSA-N	-1	0	207.229	1.972	40	30		BDEBRM
C[C@H](Oc1ccc(C=NO)cc1)C(=O)[O-]	ZINC000408845254	385338972	/nfs/dbraw/zinc/33/89/72/385338972.db2.gz	LRBVOAIPBJCBTD-ZETCQYMHSA-N	-1	0	209.201	1.347	40	30		BDEBRM
CCOc1cc2c(cc1C=N[O-])OCO2	ZINC000409104956	385479900	/nfs/dbraw/zinc/47/99/00/385479900.db2.gz	GZDHRZFLDYFCEO-UHFFFAOYSA-N	-1	0	209.201	1.622	40	30		BDEBRM
O=C1Nc2ccccc2/C1=N/NC(=S)[S-]	ZINC000005731678	385642053	/nfs/dbraw/zinc/64/20/53/385642053.db2.gz	MCZKQKMWMYZWGA-UHFFFAOYSA-N	-1	0	237.309	1.147	40	30		BDEBRM
COc1cc(C#N)cc(CC(=O)[O-])c1OC	ZINC000225723618	388842026	/nfs/dbraw/zinc/84/20/26/388842026.db2.gz	LCTLIAMKJLYEPL-UHFFFAOYSA-N	-1	0	221.212	1.203	40	30		BDEBRM
C=C1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1	ZINC000115071293	518665407	/nfs/dbraw/zinc/66/54/07/518665407.db2.gz	XDCPEAITKWRVEB-DTWKUNHWSA-N	-1	0	241.287	1.931	40	30		BDEBRM
C=C1C[C@@H](C(=O)[O-])[C@@H](NC(=O)OC(C)(C)C)C1	ZINC000027442201	192056528	/nfs/dbraw/zinc/05/65/28/192056528.db2.gz	XDCPEAITKWRVEB-BDAKNGLRSA-N	-1	0	241.287	1.931	40	30		BDEBRM
C=CCc1cc([N+](=O)[O-])cc(CO)c1[O-]	ZINC000216778418	187205692	/nfs/dbraw/zinc/20/56/92/187205692.db2.gz	QPDAWVGVXANKPY-UHFFFAOYSA-N	-1	0	209.201	1.521	40	30		BDEBRM
CC(C)(O)C#Cc1csc(C(=O)[O-])c1	ZINC000585144781	343880020	/nfs/dbraw/zinc/88/00/20/343880020.db2.gz	DYKZTJIDHZTUCX-UHFFFAOYSA-N	-1	0	210.254	1.569	40	30		BDEBRM
O=C([O-])c1ccc(C#CCN2CCCC2=O)cc1	ZINC000585145373	343880494	/nfs/dbraw/zinc/88/04/94/343880494.db2.gz	POYNONUUXRVHFK-UHFFFAOYSA-N	-1	0	243.262	1.359	40	30		BDEBRM
CC(C)(C)c1ncc(C#N)cc1C(=O)[O-]	ZINC000096510555	187289161	/nfs/dbraw/zinc/28/91/61/187289161.db2.gz	KSVNYAAKKKIJCM-UHFFFAOYSA-N	-1	0	204.229	1.949	40	30		BDEBRM
C#CCOc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-]	ZINC000225278638	187296722	/nfs/dbraw/zinc/29/67/22/187296722.db2.gz	NNGZTZSZYVTOAS-UHFFFAOYSA-N	-1	0	239.158	1.444	40	30		BDEBRM
Cc1ccc(O[S@@+](C)(=O)N(C)C)cc1	ZINC000104092541	178819867	/nfs/dbraw/zinc/81/98/67/178819867.db2.gz	IMEWXLSCFGPPJL-CQSZACIVSA-N	-1	0	214.310	1.895	40	30		BDEBRM
CC(C)=NNc1nnc(C(C)(C)C)c(=O)[n-]1	ZINC000004136666	187302742	/nfs/dbraw/zinc/30/27/42/187302742.db2.gz	YATLXAQPIWTXKQ-UHFFFAOYSA-N	-1	0	223.280	1.270	40	30		BDEBRM
CC(C)(C#N)[N-]C(=O)C(Cl)(Cl)Cl	ZINC000005543931	353560009	/nfs/dbraw/zinc/56/00/09/353560009.db2.gz	YRPYFHKEWGKUMN-UHFFFAOYSA-N	-1	0	229.494	1.775	40	30		BDEBRM
N#CC1=C([O-])CC(=O)C[C@@H]1c1ccccc1	ZINC000100364981	181068307	/nfs/dbraw/zinc/06/83/07/181068307.db2.gz	HDOYKMMLTJTTEK-VXGBXAGGSA-N	-1	0	213.236	1.842	40	30		BDEBRM
CC(C)(C)n1ccc(/C=N/OCC(=O)[O-])c1	ZINC000226032975	219875401	/nfs/dbraw/zinc/87/54/01/219875401.db2.gz	LXAPSOPGJONYKD-WUXMJOGZSA-N	-1	0	224.260	1.678	40	30		BDEBRM
C=CCNc1nnc(C(C)(C)C)c(=O)[n-]1	ZINC000005154553	384523469	/nfs/dbraw/zinc/52/34/69/384523469.db2.gz	SBMDCLKTJOLPOM-UHFFFAOYSA-N	-1	0	208.265	1.060	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000137659774	384542841	/nfs/dbraw/zinc/54/28/41/384542841.db2.gz	DVCKCJYZGNXMSO-JTQLQIEISA-N	-1	0	217.224	1.491	40	30		BDEBRM
COC(=O)CC1=Nc2scc([O-])c2[C@H](C)C1	ZINC000104223310	384812918	/nfs/dbraw/zinc/81/29/18/384812918.db2.gz	RZMDAJDYPOWCRZ-LTYDNXFVSA-N	-1	0	239.296	1.200	40	30		BDEBRM
CO[P@@]1(=O)CC([N+](=O)[O-])=C(C)/C1=N\O	ZINC000104818790	384847574	/nfs/dbraw/zinc/84/75/74/384847574.db2.gz	ZUPVBLJNYBOVEF-UZYOAWRESA-N	-1	0	220.121	1.263	40	30		BDEBRM
C[C@@]12CC[C@@H](C/C1=N\N)[C@]2(C)CCC(=O)[O-]	ZINC000252516774	384929775	/nfs/dbraw/zinc/92/97/75/384929775.db2.gz	WWAVABRYZCOUEX-YIKTZPJXSA-N	-1	0	224.304	1.992	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000226102149	386235576	/nfs/dbraw/zinc/23/55/76/386235576.db2.gz	RZXCLZKJKCDVLI-JTQLQIEISA-N	-1	0	217.224	1.491	40	30		BDEBRM
C=CCNC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC000005480602	166396912	/nfs/dbraw/zinc/39/69/12/166396912.db2.gz	GYUVRZXGVDBGSA-UHFFFAOYSA-N	-1	0	236.296	1.857	40	30		BDEBRM
CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(=O)[O-]	ZINC000095929159	168010572	/nfs/dbraw/zinc/01/05/72/168010572.db2.gz	WGKAYAGSYUSGLX-PWCHPLFNSA-N	-1	0	224.256	1.908	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccc(C)cc1	ZINC000226102151	173763494	/nfs/dbraw/zinc/76/34/94/173763494.db2.gz	RZXCLZKJKCDVLI-SNVBAGLBSA-N	-1	0	217.224	1.491	40	30		BDEBRM
COc1ccc(OC)c([C@@H](/C=N\[O-])OC)c1	ZINC000017061561	175167232	/nfs/dbraw/zinc/16/72/32/175167232.db2.gz	SOOFYWAERRTYCE-HBZGRHIISA-N	-1	0	225.244	1.851	40	30		BDEBRM
Cc1ccc(S(=O)(=O)C(C#N)=N[O-])cc1	ZINC000254522636	525486950	/nfs/dbraw/zinc/48/69/50/525486950.db2.gz	DRSUYPDLWGTIFL-UHFFFAOYSA-N	-1	0	224.241	1.080	40	30		BDEBRM
Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\[O-]	ZINC000004737922	178271696	/nfs/dbraw/zinc/27/16/96/178271696.db2.gz	YMCHTJDUDRVDIF-UHFFFAOYSA-N	-1	0	221.172	1.034	40	30		BDEBRM
CCO/C=N/Nc1ccc2nnc(Cl)n2n1	ZINC000001560870	342702840	/nfs/dbraw/zinc/70/28/40/342702840.db2.gz	PCSWRJPXLQBQRO-BJMVGYQFSA-N	-1	0	240.654	1.169	40	30		BDEBRM
Cn1c2ccccc2s/c1=N/N=C\C(=O)[O-]	ZINC000016920445	342917296	/nfs/dbraw/zinc/91/72/96/342917296.db2.gz	ZCLADCIJWYXODG-QVIJUPDLSA-N	-1	0	235.268	1.211	40	30		BDEBRM
C=C1C(C)(C)[C@]2(C(=O)[O-])CC[C@@]1(C(N)=O)C2	ZINC000026441733	187206793	/nfs/dbraw/zinc/20/67/93/187206793.db2.gz	UEWSBSSBTWURBG-VXGBXAGGSA-N	-1	0	223.272	1.309	40	30		BDEBRM
Cn1ccnc1C/C(=N/[O-])c1ccccc1	ZINC000009318747	187244860	/nfs/dbraw/zinc/24/48/60/187244860.db2.gz	XWYIBTNAXPAQLG-KAMYIIQDSA-N	-1	0	215.256	1.841	40	30		BDEBRM
C=C(C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000021302750	343617241	/nfs/dbraw/zinc/61/72/41/343617241.db2.gz	JYLCVRHQTJPCTN-UHFFFAOYSA-N	-1	0	221.212	1.605	40	30		BDEBRM
C=CCOc1ccc(OC)cc1C(=O)[O-]	ZINC000048775358	344589359	/nfs/dbraw/zinc/58/93/59/344589359.db2.gz	UMVIELNMNKCION-UHFFFAOYSA-N	-1	0	208.213	1.958	40	30		BDEBRM
C=CCOc1ccccc1CN=Nc1nnn[n-]1	ZINC000006293505	187303192	/nfs/dbraw/zinc/30/31/92/187303192.db2.gz	YVGOUWFTZSCQDK-XYOKQWHBSA-N	-1	0	244.258	1.211	40	30		BDEBRM
CC1=NOC(=O)/C1=C/c1ccc(C(=O)[O-])cc1	ZINC000408937033	346349279	/nfs/dbraw/zinc/34/92/79/346349279.db2.gz	MEFHTZLPXKQDRK-UXBLZVDNSA-N	-1	0	231.207	1.701	40	30		BDEBRM
N#CC(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000004537292	181026341	/nfs/dbraw/zinc/02/63/41/181026341.db2.gz	WNVACCWQWPVLTG-BUHFOSPRSA-N	-1	0	214.184	1.884	40	30		BDEBRM
C[C@H](CCC#CC(=O)[O-])O[C@H]1CCCCO1	ZINC000001642765	355908821	/nfs/dbraw/zinc/90/88/21/355908821.db2.gz	FPHLQDZWQSLPMK-PWSUYJOCSA-N	-1	0	226.272	1.786	40	30		BDEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(O)[C@@H]2C(=O)[O-]	ZINC000028580609	259519549	/nfs/dbraw/zinc/51/95/49/259519549.db2.gz	DZXZRKNGUCWZFE-OKTBNZSVSA-N	-1	0	227.260	1.114	40	30		BDEBRM
O=C1/C(=N\[O-])c2cccc3c2N1CCC3	ZINC000006557505	182713735	/nfs/dbraw/zinc/71/37/35/182713735.db2.gz	TZZWFISMBCDVKX-XFXZXTDPSA-N	-1	0	202.213	1.158	40	30		BDEBRM
O=[N+]([O-])c1ccc(/C=N/NC(=S)[S-])cc1	ZINC000000114514	182926974	/nfs/dbraw/zinc/92/69/74/182926974.db2.gz	YSOIIRJXYQJIFN-WEVVVXLNSA-N	-1	0	241.297	1.733	40	30		BDEBRM
Cc1cc(C#CC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000085396941	177724035	/nfs/dbraw/zinc/72/40/35/177724035.db2.gz	NJSCYLLALKTHQR-UHFFFAOYSA-N	-1	0	205.169	1.339	40	30		BDEBRM
CC1(C)C/C(=N/O)C[C@@](C)(S(=O)(=O)[O-])C1	ZINC000005734314	167881533	/nfs/dbraw/zinc/88/15/33/167881533.db2.gz	QXCBQYMBVRDFTF-SBMLRHLQSA-N	-1	0	235.305	1.673	40	30		BDEBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])C/C2=N\N	ZINC000004567666	168014490	/nfs/dbraw/zinc/01/44/90/168014490.db2.gz	RHFYQGSVOPZKPI-MHSPPEMRSA-N	-1	0	210.277	1.602	40	30		BDEBRM
COc1cccc(C[C@@H](C#N)C(=O)[O-])c1	ZINC000016697634	175270828	/nfs/dbraw/zinc/27/08/28/175270828.db2.gz	GWCOUECFJCTSLE-VIFPVBQESA-N	-1	0	205.213	1.462	40	30		BDEBRM
COc1cc(Cl)cc(/C=N/[O-])c1O	ZINC000100330090	398248845	/nfs/dbraw/zinc/24/88/45/398248845.db2.gz	WVUJKHCZTUDPSG-ONNFQVAWSA-N	-1	0	201.609	1.862	40	30		BDEBRM
O=C([O-])c1cc(C#CCn2cccn2)cs1	ZINC000585145413	343881232	/nfs/dbraw/zinc/88/12/32/343881232.db2.gz	SDQKTCLRQIJVPR-UHFFFAOYSA-N	-1	0	232.264	1.695	40	30		BDEBRM
CCOC(=O)C#Cc1ccccc1C(=O)[O-]	ZINC000585143719	344178177	/nfs/dbraw/zinc/17/81/77/344178177.db2.gz	IPVIAMFJJUTDHS-UHFFFAOYSA-N	-1	0	218.208	1.299	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccco2)OC1=O	ZINC000017105776	187416247	/nfs/dbraw/zinc/41/62/47/187416247.db2.gz	IWGFMYAZPOEARZ-YVMONPNESA-N	-1	0	220.180	1.578	40	30		BDEBRM
N#Cc1c[n-]n2c1nc(-c1ccccc1)cc2=O	ZINC000132356068	191030597	/nfs/dbraw/zinc/03/05/97/191030597.db2.gz	IZDBAWMJZHEGEG-UHFFFAOYSA-N	-1	0	236.234	1.561	40	30		BDEBRM
N#C[C@@H](c1ccccc1)[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575292	188103417	/nfs/dbraw/zinc/10/34/17/188103417.db2.gz	QTKKXJDUWHUMDJ-DCAQKATOSA-N	-1	0	248.307	1.409	40	30		BDEBRM
CC(N=Nc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000016137210	188106519	/nfs/dbraw/zinc/10/65/19/188106519.db2.gz	YMNUOGCJWOWHMY-UXBLZVDNSA-N	-1	0	223.188	1.467	40	30		BDEBRM
C=CCNc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000019844508	188174595	/nfs/dbraw/zinc/17/45/95/188174595.db2.gz	DDKSRHIAWDAVFC-UHFFFAOYSA-N	-1	0	222.200	1.891	40	30		BDEBRM
C=CCn1c(SCC(=O)[O-])nnc1C(C)C	ZINC000041361703	188215914	/nfs/dbraw/zinc/21/59/14/188215914.db2.gz	RMKJOVVWUWMMFB-UHFFFAOYSA-N	-1	0	241.316	1.764	40	30		BDEBRM
N#CC(C#N)=NNc1ccccc1C(=O)[O-]	ZINC000004537293	181026066	/nfs/dbraw/zinc/02/60/66/181026066.db2.gz	FDCSZMOHOIBWGW-BUHFOSPRSA-N	-1	0	214.184	1.884	40	30		BDEBRM
O=c1ccccn1C/C(=N/[O-])c1ccccc1	ZINC000006514102	183001897	/nfs/dbraw/zinc/00/18/97/183001897.db2.gz	NEBICYDVBPHIOZ-OWBHPGMISA-N	-1	0	228.251	1.727	40	30		BDEBRM
[O-]/N=C\c1cc(Br)ccc1O	ZINC000100113487	384616626	/nfs/dbraw/zinc/61/66/26/384616626.db2.gz	YSDJVLAQRCCLPB-WTKPLQERSA-N	-1	0	216.034	1.963	40	30		BDEBRM
CC1(C)C/C(=N\O)C[C@](C)(S(=O)(=O)[O-])C1	ZINC000104266111	384819203	/nfs/dbraw/zinc/81/92/03/384819203.db2.gz	QXCBQYMBVRDFTF-HZAKCSEPSA-N	-1	0	235.305	1.673	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2ccnc2)s1	ZINC000585145083	384783846	/nfs/dbraw/zinc/78/38/46/384783846.db2.gz	CQEODNVZQBEMKR-UHFFFAOYSA-N	-1	0	232.264	1.695	40	30		BDEBRM
CN(CCC(=O)[O-])C(=O)c1ccc(CC#N)cc1	ZINC000058241311	384989129	/nfs/dbraw/zinc/98/91/29/384989129.db2.gz	XEEZFHNLZWFLGQ-UHFFFAOYSA-N	-1	0	246.266	1.299	40	30		BDEBRM
O=C([O-])C#Cc1cnn(C2CCCC2)c1	ZINC000072339651	385925607	/nfs/dbraw/zinc/92/56/07/385925607.db2.gz	DFACSLIBTCKWEK-UHFFFAOYSA-N	-1	0	204.229	1.434	40	30		BDEBRM
O=C([O-])CSC1=CC(=O)c2ccccc2C1=O	ZINC000028464544	388346062	/nfs/dbraw/zinc/34/60/62/388346062.db2.gz	JSXVNSXLESSQMA-UHFFFAOYSA-N	-1	0	248.259	1.767	40	30		BDEBRM
CC(=NO)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000006796066	168135519	/nfs/dbraw/zinc/13/55/19/168135519.db2.gz	IOKULDITHLGXCJ-LUHPIMIVSA-N	-1	0	231.255	1.875	40	30		BDEBRM
CCOC(=O)/C(Cc1ccccc1)=N/[O-]	ZINC000104374849	170182598	/nfs/dbraw/zinc/18/25/98/170182598.db2.gz	QGTGTZUULIEJAP-ZRDIBKRKSA-N	-1	0	207.229	1.622	40	30		BDEBRM
COc1ccc(OC)c([C@@H](/C=N/[O-])OC)c1	ZINC000104190139	175166686	/nfs/dbraw/zinc/16/66/86/175166686.db2.gz	SOOFYWAERRTYCE-LAPSENCUSA-N	-1	0	225.244	1.851	40	30		BDEBRM
N#Cc1c(C#N)c(=O)[n-]c2c1CCCCC2	ZINC000039606135	534765819	/nfs/dbraw/zinc/76/58/19/534765819.db2.gz	HWDDVAKFKCQCCS-UHFFFAOYSA-N	-1	0	213.240	1.799	40	30		BDEBRM
CSCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000328578018	525439556	/nfs/dbraw/zinc/43/95/56/525439556.db2.gz	JOQFCNXDJMNKRL-MRVPVSSYSA-N	-1	0	219.306	1.949	40	30		BDEBRM
CSCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000328578019	525439870	/nfs/dbraw/zinc/43/98/70/525439870.db2.gz	JOQFCNXDJMNKRL-QMMMGPOBSA-N	-1	0	219.306	1.949	40	30		BDEBRM
Cc1cc(=O)[nH]c(NN=Cc2cccc(O)c2)n1	ZINC000007891563	342794546	/nfs/dbraw/zinc/79/45/46/342794546.db2.gz	WLKZKWFXUIWNCZ-NTUHNPAUSA-N	-1	0	244.254	1.230	40	30		BDEBRM
Cc1ccc(N/C(=N/[O-])c2nonc2N)cc1	ZINC000018096113	342931466	/nfs/dbraw/zinc/93/14/66/342931466.db2.gz	VHGWGOVZZFCPDD-UHFFFAOYSA-N	-1	0	233.231	1.208	40	30		BDEBRM
C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002583198	191109562	/nfs/dbraw/zinc/10/95/62/191109562.db2.gz	BYHZVVBUNVWRGH-ZCFIWIBFSA-N	-1	0	201.222	1.150	40	30		BDEBRM
CCOc1ccc(C[C@H](C#N)C(=O)[O-])cc1	ZINC000019730245	352063081	/nfs/dbraw/zinc/06/30/81/352063081.db2.gz	VXBWRTRFBKMTJC-SNVBAGLBSA-N	-1	0	219.240	1.852	40	30		BDEBRM
O=C([O-])/C(Cc1ccccc1[N+](=O)[O-])=N\O	ZINC000016449454	188170054	/nfs/dbraw/zinc/17/00/54/188170054.db2.gz	RSAXUEMHVKBRSZ-YFHOEESVSA-N	-1	0	224.172	1.052	40	30	in-vitro	BDEBRM
N#CC(C#N)=NNc1ccccc1C(=O)[O-]	ZINC000017285678	181026271	/nfs/dbraw/zinc/02/62/71/181026271.db2.gz	FDCSZMOHOIBWGW-YPKPFQOOSA-N	-1	0	214.184	1.884	40	30		BDEBRM
N#Cc1c([O-])c2cccc(N)c2c(O)c1C#N	ZINC000001572513	181072802	/nfs/dbraw/zinc/07/28/02/181072802.db2.gz	CGGFUEBGZZJOCK-UHFFFAOYSA-N	-1	0	225.207	1.577	40	30		BDEBRM
N#Cc1cccc2c1ccn2CC(=O)[O-]	ZINC000020436691	181144064	/nfs/dbraw/zinc/14/40/64/181144064.db2.gz	ICHFJSNDSWGZHT-UHFFFAOYSA-N	-1	0	200.197	1.598	40	30		BDEBRM
N=C(Br)/C(Br)=N/[O-]	ZINC000227014661	181185303	/nfs/dbraw/zinc/18/53/03/181185303.db2.gz	OWTGWTICAUMLIE-YJYOUZSNSA-N	-1	0	229.859	1.541	40	30		BDEBRM
N#Cc1cc(C=O)cc(Br)c1[O-]	ZINC000225721653	259541544	/nfs/dbraw/zinc/54/15/44/259541544.db2.gz	WLMRDFIFVZQFGQ-UHFFFAOYSA-N	-1	0	226.029	1.839	40	30		BDEBRM
CCCCn1c([O-])c(C#N)c(C)cc1=O	ZINC000005832472	169034551	/nfs/dbraw/zinc/03/45/51/169034551.db2.gz	JSCJSXHNBIXPBU-UHFFFAOYSA-N	-1	0	206.245	1.534	40	30		BDEBRM
CCCCCCCC[NH2+][C@H](CC(=O)[O-])C(=O)[O-]	ZINC000100055221	384612930	/nfs/dbraw/zinc/61/29/30/384612930.db2.gz	WLNJJLYIPFNOEJ-SNVBAGLBSA-N	-1	0	245.319	1.864	40	30		BDEBRM
C=CCOc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-]	ZINC000225278433	384835396	/nfs/dbraw/zinc/83/53/96/384835396.db2.gz	YOADQGNIKRMJCG-UHFFFAOYSA-N	-1	0	241.174	1.997	40	30		BDEBRM
CN(C)CC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000031829879	385107028	/nfs/dbraw/zinc/10/70/28/385107028.db2.gz	XCABWULXTFOURH-UHFFFAOYSA-N	-1	0	231.251	1.439	40	30		BDEBRM
O=C([O-])c1ccccc1C=Nc1nc[nH]n1	ZINC000100936130	386512671	/nfs/dbraw/zinc/51/26/71/386512671.db2.gz	NEESONMRQGGZHN-VZUCSPMQSA-N	-1	0	216.200	1.254	40	30		BDEBRM
O=C([O-])C#CC[C@@H](O)CCc1ccccc1	ZINC000002041990	386800006	/nfs/dbraw/zinc/80/00/06/386800006.db2.gz	GLWSJJGROBIGJV-GFCCVEGCSA-N	-1	0	218.252	1.458	40	30		BDEBRM
[O-]N=Cc1ccc(I)o1	ZINC000254703815	388859195	/nfs/dbraw/zinc/85/91/95/388859195.db2.gz	QNVJIYRXICPKAZ-UHFFFAOYSA-N	-1	0	236.996	1.692	40	30		BDEBRM
C=CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000001843193	166393488	/nfs/dbraw/zinc/39/34/88/166393488.db2.gz	FSYPTPBRANBXOO-UHFFFAOYSA-N	-1	0	205.213	1.301	40	30		BDEBRM
CC1=NOC(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000224119756	168136893	/nfs/dbraw/zinc/13/68/93/168136893.db2.gz	SJUWIDWUBVKOQK-XBXARRHUSA-N	-1	0	248.194	1.617	40	30		BDEBRM
CCNC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000017967514	170108102	/nfs/dbraw/zinc/10/81/02/170108102.db2.gz	RAMZUOMEUMQTKA-UHFFFAOYSA-N	-1	0	217.224	1.445	40	30		BDEBRM
CCOC(=O)c1cc(C)c(C#N)c(=O)[n-]1	ZINC000016923389	170291631	/nfs/dbraw/zinc/29/16/31/170291631.db2.gz	SRAULGKDQYDQCY-UHFFFAOYSA-N	-1	0	206.201	1.144	40	30		BDEBRM
COc1cc(C[C@H](C#N)C(=O)[O-])ccc1O	ZINC000019730261	174988180	/nfs/dbraw/zinc/98/81/80/174988180.db2.gz	YXGZHSGJNOXNQK-MRVPVSSYSA-N	-1	0	221.212	1.168	40	30		BDEBRM
N#Cc1nc(Cl)c(Cl)cc1C(=O)[O-]	ZINC000225732755	526786381	/nfs/dbraw/zinc/78/63/81/526786381.db2.gz	NDWNIFSCCYCAKI-UHFFFAOYSA-N	-1	0	217.011	1.958	40	30		BDEBRM
Cc1ccc(/C(CS(C)(=O)=O)=N\[O-])cc1	ZINC000096524442	178351111	/nfs/dbraw/zinc/35/11/11/178351111.db2.gz	XRKUGYDJWURFSC-KHPPLWFESA-N	-1	0	227.285	1.218	40	30		BDEBRM
C=CCN(CC=C)c1cc(C(=O)[O-])ncn1	ZINC000390493673	398293307	/nfs/dbraw/zinc/29/33/07/398293307.db2.gz	QJJNCVZXERBWRP-UHFFFAOYSA-N	-1	0	219.244	1.353	40	30		BDEBRM
O=C([O-])c1cccc(C#CCCCO)c1	ZINC000585144980	343880519	/nfs/dbraw/zinc/88/05/19/343880519.db2.gz	QPTJZFBAEKMSFW-UHFFFAOYSA-N	-1	0	204.225	1.509	40	30		BDEBRM
C#CCCCn1cc(CCC(=O)[O-])cn1	ZINC000575623338	343875553	/nfs/dbraw/zinc/87/55/53/343875553.db2.gz	KODLKWIJCSJZEI-UHFFFAOYSA-N	-1	0	206.245	1.314	40	30		BDEBRM
CCOC(=O)C#Cc1cccc(C(=O)[O-])c1	ZINC000585143752	344178861	/nfs/dbraw/zinc/17/88/61/344178861.db2.gz	KUPZVOFKLWEYTE-UHFFFAOYSA-N	-1	0	218.208	1.299	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2ccnc2)cc1	ZINC000585145124	344179861	/nfs/dbraw/zinc/17/98/61/344179861.db2.gz	DKEPZQAATUIFPO-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
N#C[C@H](Cc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000585656298	345468394	/nfs/dbraw/zinc/46/83/94/345468394.db2.gz	ADSURIWBAMIKNE-ZETCQYMHSA-N	-1	0	211.167	1.732	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccccc2)OC1=O	ZINC000017105772	188107078	/nfs/dbraw/zinc/10/70/78/188107078.db2.gz	YWLJVGQCUNWGMU-YFHOEESVSA-N	-1	0	230.219	1.985	40	30		BDEBRM
N#Cc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)cc1	ZINC000016082880	188106232	/nfs/dbraw/zinc/10/62/32/188106232.db2.gz	MVSLOEWGVHEMOL-UHFFFAOYSA-N	-1	0	244.294	1.855	40	30		BDEBRM
CCCn1cccc1/C=N/OCC(=O)[O-]	ZINC000085610114	188124851	/nfs/dbraw/zinc/12/48/51/188124851.db2.gz	ZRNLTXKKKYZSOC-YRNVUSSQSA-N	-1	0	210.233	1.333	40	30		BDEBRM
N#CC(C#N)=NNc1ccc(C(=O)[O-])cc1	ZINC000017285676	181026080	/nfs/dbraw/zinc/02/60/80/181026080.db2.gz	WNVACCWQWPVLTG-YPKPFQOOSA-N	-1	0	214.184	1.884	40	30		BDEBRM
N/C(=N\[O-])C(F)(F)C(F)(F)C(F)(F)F	ZINC000005409978	181179250	/nfs/dbraw/zinc/17/92/50/181179250.db2.gz	PKJHWGYUOCAZRL-UHFFFAOYSA-N	-1	0	228.067	1.566	40	30		BDEBRM
NC(=S)NN=Cc1ccccc1C(=O)[O-]	ZINC000001937782	181206971	/nfs/dbraw/zinc/20/69/71/181206971.db2.gz	BJLGMFGFJVYGIN-VZUCSPMQSA-N	-1	0	223.257	1.173	40	30		BDEBRM
C[C@H](CCC#CC(=O)[O-])O[C@@H]1CCCCO1	ZINC000001642767	355909064	/nfs/dbraw/zinc/90/90/64/355909064.db2.gz	FPHLQDZWQSLPMK-ZYHUDNBSSA-N	-1	0	226.272	1.786	40	30		BDEBRM
C=C(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002506605	355923456	/nfs/dbraw/zinc/92/34/56/355923456.db2.gz	WSZDLYUKDIEHDY-SSDOTTSWSA-N	-1	0	215.249	1.540	40	30		BDEBRM
N#Cc1cc2ccccc2n1CC(=O)[O-]	ZINC000257198038	370683263	/nfs/dbraw/zinc/68/32/63/370683263.db2.gz	RAUZQNZBFONMCO-UHFFFAOYSA-N	-1	0	200.197	1.598	40	30		BDEBRM
O=C([O-])CO/N=C/c1cccn1-c1ccccc1	ZINC000226032931	182469270	/nfs/dbraw/zinc/46/92/70/182469270.db2.gz	YJPSZSUYPGQDMV-NTEUORMPSA-N	-1	0	244.250	1.912	40	30		BDEBRM
O=C([O-])[C@H]1CCCCN1/N=C\c1ccccc1	ZINC000008627616	182533242	/nfs/dbraw/zinc/53/32/42/182533242.db2.gz	ARUAZTOCDHMQJK-XTCQQWIJSA-N	-1	0	232.283	1.960	40	30		BDEBRM
O=C1[C@@H]2CCCC3CCC[C@@H](C(=O)N1[O-])C32	ZINC000001735541	383933945	/nfs/dbraw/zinc/93/39/45/383933945.db2.gz	QFTIVHUUCAVAQP-DSAQSWLYSA-N	-1	0	223.272	1.577	40	30		BDEBRM
CO[P@]1(=O)CC([N+](=O)[O-])=C(C)/C1=N\O	ZINC000104818792	384846445	/nfs/dbraw/zinc/84/64/45/384846445.db2.gz	ZUPVBLJNYBOVEF-PSKZRQQASA-N	-1	0	220.121	1.263	40	30		BDEBRM
CN(C)[C@@](C#N)(CCC(=O)[O-])c1ccccc1	ZINC000072210163	385064707	/nfs/dbraw/zinc/06/47/07/385064707.db2.gz	GXSWGXNCKIKECL-CYBMUJFWSA-N	-1	0	232.283	1.832	40	30		BDEBRM
Cc1ccc(C#CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000085396938	385161207	/nfs/dbraw/zinc/16/12/07/385161207.db2.gz	JQZDMOUMSWOKCT-UHFFFAOYSA-N	-1	0	205.169	1.339	40	30		BDEBRM
O=C([O-])C1CC2(C1)CC1(CC(=NO)C1)C2	ZINC000096528038	385274923	/nfs/dbraw/zinc/27/49/23/385274923.db2.gz	QSPMEGPEKOPYQD-UHFFFAOYSA-N	-1	0	209.245	1.872	40	30		BDEBRM
[O-]/N=C(/Cn1cncn1)c1ccccc1	ZINC000005368847	386994299	/nfs/dbraw/zinc/99/42/99/386994299.db2.gz	LSUILBQVJZPPQG-RAXLEYEMSA-N	-1	0	202.217	1.157	40	30		BDEBRM
CC(C)OC(=O)COc1ccc(C=NO)cc1	ZINC000254406003	388843311	/nfs/dbraw/zinc/84/33/11/388843311.db2.gz	JIQRFTAJSVHYRA-UHFFFAOYSA-N	-1	0	237.255	1.825	40	30		BDEBRM
C#CCCOc1ccc(CC(=O)[O-])cc1	ZINC000019843645	166150370	/nfs/dbraw/zinc/15/03/70/166150370.db2.gz	LDHMVRJGAUKPPO-UHFFFAOYSA-N	-1	0	204.225	1.716	40	30		BDEBRM
C=CCN1C(=O)N=C([O-])[C@H](c2ccccc2)C1=O	ZINC000002028322	166350217	/nfs/dbraw/zinc/35/02/17/166350217.db2.gz	JURRXBKKSGGYFV-JTQLQIEISA-N	-1	0	244.250	1.035	40	30		BDEBRM
CC1=C/C(=N/[O-])C=C(Br)C1=O	ZINC000078546337	168089158	/nfs/dbraw/zinc/08/91/58/168089158.db2.gz	MCFUEVYZHRWDHN-UITAMQMPSA-N	-1	0	216.034	1.624	40	30		BDEBRM
CCOC(=O)/C(Cc1ccccc1)=N\[O-]	ZINC000014619979	170182349	/nfs/dbraw/zinc/18/23/49/170182349.db2.gz	QGTGTZUULIEJAP-BENRWUELSA-N	-1	0	207.229	1.622	40	30		BDEBRM
[O-]N=C(C(=NO)c1ccco1)c1ccco1	ZINC000254624778	527643769	/nfs/dbraw/zinc/64/37/69/527643769.db2.gz	RBOZTFPIXJBLPK-UHFFFAOYSA-N	-1	0	220.184	1.929	40	30		BDEBRM
CCOc1cc(/C=N\O)ccc1OCC(=O)[O-]	ZINC000013747080	535662295	/nfs/dbraw/zinc/66/22/95/535662295.db2.gz	GPUVLJMZDVIOCY-SDQBBNPISA-N	-1	0	239.227	1.357	40	30		BDEBRM
O=C([O-])[C@H]1CCCCN1/N=C/c1ccccc1	ZINC000001707680	342710485	/nfs/dbraw/zinc/71/04/85/342710485.db2.gz	ARUAZTOCDHMQJK-HLVNSREUSA-N	-1	0	232.283	1.960	40	30		BDEBRM
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1C(=O)[O-]	ZINC000031489950	343220108	/nfs/dbraw/zinc/22/01/08/343220108.db2.gz	FWQMVTACSLVNOW-UHFFFAOYSA-N	-1	0	237.255	1.016	40	30		BDEBRM
N#CC(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000034569303	343275065	/nfs/dbraw/zinc/27/50/65/343275065.db2.gz	ZADNKSKXKOSWGQ-UHFFFAOYSA-N	-1	0	215.168	1.441	40	30		BDEBRM
Cc1ccc(O[S@+](C)(=O)N(C)C)cc1	ZINC000104092536	178819741	/nfs/dbraw/zinc/81/97/41/178819741.db2.gz	IMEWXLSCFGPPJL-AWEZNQCLSA-N	-1	0	214.310	1.895	40	30		BDEBRM
Cn1c2ccccc2s/c1=N\N=C/C(=O)[O-]	ZINC000104099955	180605838	/nfs/dbraw/zinc/60/58/38/180605838.db2.gz	ZCLADCIJWYXODG-SUYBHAEQSA-N	-1	0	235.268	1.211	40	30		BDEBRM
COC1=CC(=O)C(=N[O-])c2ccccc21	ZINC000299888744	352549772	/nfs/dbraw/zinc/54/97/72/352549772.db2.gz	VZDSXOWJTHNRGS-UHFFFAOYSA-N	-1	0	203.197	1.435	40	30		BDEBRM
O=C1NC(=S)C=C([O-])C1=Cc1ccccc1O	ZINC000005897726	188103225	/nfs/dbraw/zinc/10/32/25/188103225.db2.gz	IGHVWBWZIDAFFP-YVMONPNESA-N	-1	0	247.275	1.192	40	30		BDEBRM
CCc1ccccc1NC(=O)/C(=N/[O-])C(C)=O	ZINC000017996102	188107392	/nfs/dbraw/zinc/10/73/92/188107392.db2.gz	NKGHUXASFPRBKC-SDNWHVSQSA-N	-1	0	234.255	1.607	40	30		BDEBRM
CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N([O-])C(=O)[C@@H]12	ZINC000226644626	188182136	/nfs/dbraw/zinc/18/21/36/188182136.db2.gz	KEUDCDGBJILYHA-GIFSMMMISA-N	-1	0	249.310	1.989	40	30		BDEBRM
N#Cc1ccc(CC(=O)[O-])cc1Br	ZINC000072233084	181102930	/nfs/dbraw/zinc/10/29/30/181102930.db2.gz	ZCJFKKAJDJUIOI-UHFFFAOYSA-N	-1	0	240.056	1.948	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccccc2)OC1=O	ZINC000005385681	384111483	/nfs/dbraw/zinc/11/14/83/384111483.db2.gz	YWLJVGQCUNWGMU-JXMROGBWSA-N	-1	0	230.219	1.985	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccco2)OC1=O	ZINC000005385683	384111887	/nfs/dbraw/zinc/11/18/87/384111887.db2.gz	IWGFMYAZPOEARZ-VMPITWQZSA-N	-1	0	220.180	1.578	40	30		BDEBRM
[O-]/N=C(/c1ccco1)[C@@H](O)c1ccco1	ZINC000008614849	384205659	/nfs/dbraw/zinc/20/56/59/384205659.db2.gz	IBNMNXJQIJQANW-RGAIUGGKSA-N	-1	0	207.185	1.785	40	30		BDEBRM
O=C([O-])C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000001601632	384423403	/nfs/dbraw/zinc/42/34/03/384423403.db2.gz	ZFLQRNNAXIJMSS-SNAWJCMRSA-N	-1	0	221.168	1.262	40	30		BDEBRM
CC(=O)C(N=Nc1ccccc1)C(=O)[O-]	ZINC000016889872	384474189	/nfs/dbraw/zinc/47/41/89/384474189.db2.gz	FTZBRSHEIFZUGG-XFXZXTDPSA-N	-1	0	206.201	1.128	40	30		BDEBRM
CCCCCCCC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000100055220	384612575	/nfs/dbraw/zinc/61/25/75/384612575.db2.gz	WLNJJLYIPFNOEJ-JTQLQIEISA-N	-1	0	245.319	1.864	40	30		BDEBRM
CCOc1ccc(/C=N/OCC(=O)[O-])cc1	ZINC000068892609	385224356	/nfs/dbraw/zinc/22/43/56/385224356.db2.gz	KQCRBFCHDAGLOJ-KPKJPENVSA-N	-1	0	223.228	1.520	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1F	ZINC000226102105	386235942	/nfs/dbraw/zinc/23/59/42/386235942.db2.gz	KKCYARBCCTTWPY-QMMMGPOBSA-N	-1	0	221.187	1.321	40	30		BDEBRM
C=CCOC(=O)c1ccccc1C(=O)[O-]	ZINC000036420680	387866229	/nfs/dbraw/zinc/86/62/29/387866229.db2.gz	UIYHUUARNKRKGV-UHFFFAOYSA-N	-1	0	206.197	1.728	40	30		BDEBRM
C[C@H](CC(=O)[O-])NC(=O)c1ccc(CC#N)cc1	ZINC000262081918	135114300	/nfs/dbraw/zinc/11/43/00/135114300.db2.gz	KIJDBSBBCXJRME-SECBINFHSA-N	-1	0	246.266	1.346	40	30		BDEBRM
C#CCOc1c(OCC)cccc1C(=O)[O-]	ZINC000225281253	166197599	/nfs/dbraw/zinc/19/75/99/166197599.db2.gz	VXUBEUVFUKGRLA-UHFFFAOYSA-N	-1	0	220.224	1.796	40	30		BDEBRM
CC1=C([O-])c2cc3c(cc2C(=O)C1=O)OCO3	ZINC000104240388	168088489	/nfs/dbraw/zinc/08/84/89/168088489.db2.gz	TXFVMCSGOCDSOX-UHFFFAOYSA-N	-1	0	232.191	1.626	40	30		BDEBRM
COc1ccc(/C=C/C(=O)C(=O)[O-])cc1	ZINC000001691338	175046551	/nfs/dbraw/zinc/04/65/51/175046551.db2.gz	SHVBLFWLPMOIIO-QPJJXVBHSA-N	-1	0	206.197	1.362	40	30		BDEBRM
COc1ccccc1/C=N/OCC(=O)[O-]	ZINC000068892536	175315703	/nfs/dbraw/zinc/31/57/03/175315703.db2.gz	CUXKUSPWXUYKMB-IZZDOVSWSA-N	-1	0	209.201	1.130	40	30		BDEBRM
O=[N+]([O-])c1ccccc1/C(Cl)=N/[O-]	ZINC000004716328	342751069	/nfs/dbraw/zinc/75/10/69/342751069.db2.gz	SQHJGNRLAWHRNE-CLFYSBASSA-N	-1	0	200.581	1.969	40	30		BDEBRM
Cc1cccc(-n2cc(C#N)c(=O)[n-]c2=O)c1	ZINC000039370146	179000459	/nfs/dbraw/zinc/00/04/59/179000459.db2.gz	URXIHGUUWCLENJ-UHFFFAOYSA-N	-1	0	227.223	1.118	40	30		BDEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NO	ZINC000100926495	180330843	/nfs/dbraw/zinc/33/08/43/180330843.db2.gz	YWTGUGPWBFOVSW-GHXNOFRVSA-N	-1	0	217.228	1.694	40	30		BDEBRM
CCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000002042198	168657337	/nfs/dbraw/zinc/65/73/37/168657337.db2.gz	AKNYOKYZDYHBIY-SNVBAGLBSA-N	-1	0	215.293	1.936	40	30		BDEBRM
CC(=O)C(N=Nc1ccccc1)C(=O)[O-]	ZINC000008579792	188104355	/nfs/dbraw/zinc/10/43/55/188104355.db2.gz	FTZBRSHEIFZUGG-FMIVXFBMSA-N	-1	0	206.201	1.128	40	30		BDEBRM
CC(C)(C)c1nnc(C(C#N)C#N)[n-]c1=O	ZINC000016777019	188107225	/nfs/dbraw/zinc/10/72/25/188107225.db2.gz	SZDQODWLUHLGQM-UHFFFAOYSA-N	-1	0	217.232	1.005	40	30		BDEBRM
CC#C[C@H](CC(=O)[O-])c1ccc(O)cc1	ZINC000095630746	188187862	/nfs/dbraw/zinc/18/78/62/188187862.db2.gz	QFYGPUAIMQUIOO-SNVBAGLBSA-N	-1	0	204.225	1.974	40	30		BDEBRM
N#Cc1c(N)[n-]c(=O)c(C#N)c1-c1ccccc1	ZINC000012376872	181077640	/nfs/dbraw/zinc/07/76/40/181077640.db2.gz	VDIPUISMFIDXRX-UHFFFAOYSA-N	-1	0	236.234	1.780	40	30		BDEBRM
NC(=S)NN=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000001905455	181206169	/nfs/dbraw/zinc/20/61/69/181206169.db2.gz	WDXLUCSGDMODBN-ONNFQVAWSA-N	-1	0	240.244	1.088	40	30		BDEBRM
COc1cc(C[C@@H](C#N)C(=O)[O-])cc(OC)c1	ZINC000016697650	355889233	/nfs/dbraw/zinc/88/92/33/355889233.db2.gz	DMZHAPCKOQXWAO-VIFPVBQESA-N	-1	0	235.239	1.471	40	30		BDEBRM
[O-]C([C@H]1CO1)(C(F)(F)F)C(F)(F)F	ZINC000001579051	383907507	/nfs/dbraw/zinc/90/75/07/383907507.db2.gz	OSJJWQKQQXJRGW-UWTATZPHSA-N	-1	0	210.073	1.241	40	30		BDEBRM
CC(=N\O)/C(=N/[O-])C(=O)N(C)c1ccccc1	ZINC000005370644	384111555	/nfs/dbraw/zinc/11/15/55/384111555.db2.gz	CWBJGAHMHDUAJY-LSCZQMSZSA-N	-1	0	235.243	1.330	40	30		BDEBRM
CCCCN(CCCC)C(=O)/C(=N/[O-])C(C)=O	ZINC000006398613	384153279	/nfs/dbraw/zinc/15/32/79/384153279.db2.gz	BBWODSNCMHCMBZ-ACCUITESSA-N	-1	0	242.319	1.834	40	30		BDEBRM
[O-]/N=C(\c1ccco1)[C@H](O)c1ccco1	ZINC000104338773	384821492	/nfs/dbraw/zinc/82/14/92/384821492.db2.gz	IBNMNXJQIJQANW-OYVNLZQHSA-N	-1	0	207.185	1.785	40	30		BDEBRM
O=C([O-])c1cccc(C#CCn2ccnc2)c1	ZINC000585145086	384781360	/nfs/dbraw/zinc/78/13/60/384781360.db2.gz	CRMCRWMBRRTIQG-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
O=C([O-])CO/N=C/c1ccc(Cl)cc1	ZINC000006926223	385169916	/nfs/dbraw/zinc/16/99/16/385169916.db2.gz	XDAGIYLKQAPEQR-VZUCSPMQSA-N	-1	0	213.620	1.775	40	30		BDEBRM
Cc1[n-][nH]c(=O)c1N=Nc1cccc(F)c1	ZINC000013407963	385339151	/nfs/dbraw/zinc/33/91/51/385339151.db2.gz	JCTOLXCQMNLQID-UHFFFAOYSA-N	-1	0	220.207	1.099	40	30		BDEBRM
O=C([O-])c1cccc(NC2=NCCS2)c1	ZINC000096516571	386607420	/nfs/dbraw/zinc/60/74/20/386607420.db2.gz	GKCNHQMQQVSKCI-UHFFFAOYSA-N	-1	0	222.269	1.709	40	30		BDEBRM
C#CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071745706	387113788	/nfs/dbraw/zinc/11/37/88/387113788.db2.gz	RHJSEALENIKHQU-NSHDSACASA-N	-1	0	227.260	1.378	40	30		BDEBRM
N#Cc1cc(N)ccc1N1CCC(C(=O)[O-])CC1	ZINC000020135223	132330068	/nfs/dbraw/zinc/33/00/68/132330068.db2.gz	WGFVFXGIJZVNIX-UHFFFAOYSA-N	-1	0	245.282	1.441	40	30		BDEBRM
C#CCOc1cc([N+](=O)[O-])sc1C(=O)[O-]	ZINC000096511083	166197965	/nfs/dbraw/zinc/19/79/65/166197965.db2.gz	MWECGLHIGLCTJI-UHFFFAOYSA-N	-1	0	227.197	1.367	40	30		BDEBRM
CCOC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000104510417	170263524	/nfs/dbraw/zinc/26/35/24/170263524.db2.gz	DHHMSKCLHVABCE-SNVBAGLBSA-N	-1	0	235.214	1.711	40	30		BDEBRM
CCOC(=O)[C@]12C[C@H]1/C(=N/[O-])c1ccccc1O2	ZINC000100322623	170286486	/nfs/dbraw/zinc/28/64/86/170286486.db2.gz	FXCTZFMSAHZQTR-DRYKPYBASA-N	-1	0	247.250	1.579	40	30	in-vitro	BDEBRM
O=C([O-])C[C@@H](C(=O)[O-])[n+]1ccc2ccccc2c1	ZINC000003921348	487506643	/nfs/dbraw/zinc/50/66/43/487506643.db2.gz	OSLAYRYGZWZBKP-NSHDSACASA-O	-1	0	246.242	1.228	40	30		BDEBRM
C=CCN1Cc2cccc(C(=O)[O-])c2C1=O	ZINC000225769363	518871630	/nfs/dbraw/zinc/87/16/30/518871630.db2.gz	GDKKVKKJFSEKSZ-UHFFFAOYSA-N	-1	0	217.224	1.527	40	30		BDEBRM
CCSC(=N)NN=Cc1ccccc1O	ZINC000005654968	342767837	/nfs/dbraw/zinc/76/78/37/342767837.db2.gz	IPLKIYSUDPGTLF-KPKJPENVSA-N	-1	0	223.301	1.794	40	30		BDEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ncccn2)c1	ZINC000016546028	342912123	/nfs/dbraw/zinc/91/21/23/342912123.db2.gz	UCJMGMWSSLZXIU-VGOFMYFVSA-N	-1	0	244.210	1.841	40	30		BDEBRM
O=C([O-])c1ccc(C#CCN2CCCC2=O)s1	ZINC000585145338	344180363	/nfs/dbraw/zinc/18/03/63/344180363.db2.gz	OAPINUDSYBZMPT-UHFFFAOYSA-N	-1	0	249.291	1.420	40	30		BDEBRM
C[C@@H](CCC#CC(=O)[O-])O[C@@H]1CCCCO1	ZINC000001642766	347699464	/nfs/dbraw/zinc/69/94/64/347699464.db2.gz	FPHLQDZWQSLPMK-CMPLNLGQSA-N	-1	0	226.272	1.786	40	30		BDEBRM
C#CCn1c(C)c(C(=O)[O-])cc1C(C)=O	ZINC000078404548	187396170	/nfs/dbraw/zinc/39/61/70/187396170.db2.gz	IBBCSRKRJCOLBE-UHFFFAOYSA-N	-1	0	205.213	1.331	40	30		BDEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(=O)[O-]	ZINC000100746666	191063646	/nfs/dbraw/zinc/06/36/46/191063646.db2.gz	ILLBDUDUKPLSTP-NPXWPFHHSA-N	-1	0	224.256	1.908	40	30		BDEBRM
O=C([O-])/C(Cc1ccnc2ccccc12)=N\O	ZINC000022911749	188109637	/nfs/dbraw/zinc/10/96/37/188109637.db2.gz	RQUIQZCARLEUHE-KAMYIIQDSA-N	-1	0	230.223	1.692	40	30	in-vitro	BDEBRM
CC(N=Nc1nncc2ccccc21)C(=O)[O-]	ZINC000038810990	188117584	/nfs/dbraw/zinc/11/75/84/188117584.db2.gz	CXGHHASVNBBLOU-NTUHNPAUSA-N	-1	0	230.227	1.502	40	30	world	BDEBRM
N#Cc1c(N)sc2c1C[C@@H](C(=O)[O-])C2	ZINC000217899680	181078375	/nfs/dbraw/zinc/07/83/75/181078375.db2.gz	TZPXGRASTBADTA-SCSAIBSYSA-N	-1	0	208.242	1.001	40	30		BDEBRM
N#Cc1ccccc1NC(=O)CCC(=O)[O-]	ZINC000008025042	181148066	/nfs/dbraw/zinc/14/80/66/181148066.db2.gz	WERGBWJJKMEKED-UHFFFAOYSA-N	-1	0	218.212	1.362	40	30		BDEBRM
O=CCSC(=S)[N-]Nc1ccccc1	ZINC000006575339	384158891	/nfs/dbraw/zinc/15/88/91/384158891.db2.gz	OAIHQKNGKJVOGT-UHFFFAOYSA-N	-1	0	226.326	1.820	40	30		BDEBRM
N#Cc1ccc(-n2ccc(C(=O)[O-])n2)cc1	ZINC000045949336	384415980	/nfs/dbraw/zinc/41/59/80/384415980.db2.gz	MKJBWYNEILEICM-UHFFFAOYSA-N	-1	0	213.196	1.442	40	30		BDEBRM
[O-]/N=C/c1nncc(-c2ccccc2)n1	ZINC000095611371	384383433	/nfs/dbraw/zinc/38/34/33/384383433.db2.gz	MUCFVKVYEZRNGZ-KPKJPENVSA-N	-1	0	200.201	1.347	40	30		BDEBRM
[O-]/N=C(C(=N/O)\c1ccco1)/c1ccco1	ZINC000100012846	384608736	/nfs/dbraw/zinc/60/87/36/384608736.db2.gz	RBOZTFPIXJBLPK-HWAYABPNSA-N	-1	0	220.184	1.929	40	30		BDEBRM
O=C1c2ccccc2C([O-])=C1n1ccnc1	ZINC000101462989	384674157	/nfs/dbraw/zinc/67/41/57/384674157.db2.gz	ZZCLBEFIJIGCPV-UHFFFAOYSA-O	-1	0	213.216	1.382	40	30		BDEBRM
[O-]/N=C(\c1ccco1)[C@@H](O)c1ccco1	ZINC000104338768	384821125	/nfs/dbraw/zinc/82/11/25/384821125.db2.gz	IBNMNXJQIJQANW-SPQRFVMMSA-N	-1	0	207.185	1.785	40	30		BDEBRM
CC(C)n1cccc1/C=N/OCC(=O)[O-]	ZINC000226032917	386236018	/nfs/dbraw/zinc/23/60/18/386236018.db2.gz	VMKRIHMMNWHCGA-IZZDOVSWSA-N	-1	0	210.233	1.504	40	30		BDEBRM
C=CCSc1nc2[nH]c(=O)cc([O-])c2s1	ZINC000019624428	166429359	/nfs/dbraw/zinc/42/93/59/166429359.db2.gz	BICZAAKXERUSAM-UHFFFAOYSA-N	-1	0	240.309	1.968	40	30		BDEBRM
COc1ccc(OC)c(C(=O)/C=C/C(=O)[O-])c1	ZINC000005720310	175164521	/nfs/dbraw/zinc/16/45/21/175164521.db2.gz	KNDFIEKDZCTWHM-GQCTYLIASA-N	-1	0	236.223	1.527	40	30		BDEBRM
C[C@@H]1CCc2[n-]c(=O)c(C#N)c(C#N)c2C1	ZINC000036559014	176239884	/nfs/dbraw/zinc/23/98/84/176239884.db2.gz	WEVHQPWPTNEESX-SSDOTTSWSA-N	-1	0	213.240	1.655	40	30		BDEBRM
C=C1CC(C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC001560405342	991469749	/nfs/dbraw/zinc/46/97/49/991469749.db2.gz	ITKUUOHWHOCDFP-UHFFFAOYSA-N	-1	0	226.252	1.800	40	30		BDEBRM
CC(=O)/C=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000017222941	188171125	/nfs/dbraw/zinc/17/11/25/188171125.db2.gz	FNXHBARMWISRHV-IHWYPQMZSA-N	-1	0	207.185	1.903	40	30		BDEBRM
C/C(=N/OCc1ccc(C)cc1)C(=O)[O-]	ZINC000096525463	188148329	/nfs/dbraw/zinc/14/83/29/188148329.db2.gz	VGYFXQHDCCQYFV-XFXZXTDPSA-N	-1	0	207.229	1.972	40	30		BDEBRM
C=CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002243545	383957390	/nfs/dbraw/zinc/95/73/90/383957390.db2.gz	AJBUKLQZLAOFEA-QMMMGPOBSA-N	-1	0	245.275	1.167	40	30		BDEBRM
O=C1c2cccnc2C(=O)C(Cl)=C1[O-]	ZINC000004877179	384086021	/nfs/dbraw/zinc/08/60/21/384086021.db2.gz	RTGFWWDLDRJZCC-UHFFFAOYSA-N	-1	0	209.588	1.469	40	30		BDEBRM
COC(=O)c1ccc(/C(Cl)=N/[O-])cc1	ZINC000095803904	384398656	/nfs/dbraw/zinc/39/86/56/384398656.db2.gz	OSEDFBIVKALVNN-FLIBITNWSA-N	-1	0	213.620	1.848	40	30		BDEBRM
C#C[C@@](C)(O)[C@@H]1C[C@@H](CC(=O)[O-])C1(C)C	ZINC000004958434	166214077	/nfs/dbraw/zinc/21/40/77/166214077.db2.gz	FZCUXHXSOMOLQL-YGOYTEALSA-N	-1	0	210.273	1.508	40	30		BDEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(=O)[O-]	ZINC000095929160	168003640	/nfs/dbraw/zinc/00/36/40/168003640.db2.gz	WGKAYAGSYUSGLX-INWYIAFRSA-N	-1	0	224.256	1.908	40	30		BDEBRM
CCOC(=O)C#Cc1ccc(C(=O)[O-])s1	ZINC000585143935	398283491	/nfs/dbraw/zinc/28/34/91/398283491.db2.gz	USMIFWSWCDRDQX-UHFFFAOYSA-N	-1	0	224.237	1.361	40	30		BDEBRM
C=CCCCn1cc(CCC(=O)[O-])cn1	ZINC000575623366	343875853	/nfs/dbraw/zinc/87/58/53/343875853.db2.gz	MRNKJPOUFZQOLC-UHFFFAOYSA-N	-1	0	208.261	1.867	40	30		BDEBRM
O=C(/C=N/[O-])Nc1cccc(F)c1F	ZINC000141748690	345850760	/nfs/dbraw/zinc/85/07/60/345850760.db2.gz	YMBBUGISGQLGIK-NYYWCZLTSA-N	-1	0	200.144	1.363	40	30		BDEBRM
CC(=O)C1=C([O-])[C@H](Cc2ccccc2)NC1=O	ZINC000104183111	188150959	/nfs/dbraw/zinc/15/09/59/188150959.db2.gz	KDCHPUAJMQKYQU-JTQLQIEISA-N	-1	0	231.251	1.129	40	30		BDEBRM
COC(=C/N=N/c1nc(C#N)c(C#N)[n-]1)OC	ZINC000104285161	188151388	/nfs/dbraw/zinc/15/13/88/188151388.db2.gz	PWADGSXOTUQTER-NTCAYCPXSA-N	-1	0	232.203	1.328	40	30		BDEBRM
N#Cc1cc(Br)cn1CC(=O)[O-]	ZINC000078405568	181082799	/nfs/dbraw/zinc/08/27/99/181082799.db2.gz	MCTRHZKHFWXIQN-UHFFFAOYSA-N	-1	0	229.033	1.207	40	30		BDEBRM
N#Cc1ccc(CC(=O)c2ccccc2)[n-]c1=O	ZINC000008617501	181102750	/nfs/dbraw/zinc/10/27/50/181102750.db2.gz	VTWUMVVUGSINPQ-UHFFFAOYSA-N	-1	0	238.246	1.672	40	30		BDEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(O)[C@@H]2C(=O)[O-]	ZINC000028580607	371619221	/nfs/dbraw/zinc/61/92/21/371619221.db2.gz	DZXZRKNGUCWZFE-BUYFANAVSA-N	-1	0	227.260	1.114	40	30		BDEBRM
Oc1ccc(Cl)cc1CN=Nc1nnn[n-]1	ZINC000006453152	183273884	/nfs/dbraw/zinc/27/38/84/183273884.db2.gz	VJFSCMPVCARPJJ-ONNFQVAWSA-N	-1	0	238.638	1.005	40	30		BDEBRM
C#CCOc1ccc(OC)cc1C(=O)[O-]	ZINC000048775325	383857442	/nfs/dbraw/zinc/85/74/42/383857442.db2.gz	BWXGNPBZBAZPHF-UHFFFAOYSA-N	-1	0	206.197	1.405	40	30		BDEBRM
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=N\OCC(=O)[O-]	ZINC000038311376	384080318	/nfs/dbraw/zinc/08/03/18/384080318.db2.gz	SBBOGLWDNWHTEZ-JLOAZINRSA-N	-1	0	237.255	1.245	40	30		BDEBRM
CCCCCCCC(=O)NCCC(=O)[O-]	ZINC000100921973	384358439	/nfs/dbraw/zinc/35/84/39/384358439.db2.gz	RLSDVQWJHCQFFP-UHFFFAOYSA-N	-1	0	215.293	1.938	40	30		BDEBRM
N#Cc1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1	ZINC000016384391	387055961	/nfs/dbraw/zinc/05/59/61/387055961.db2.gz	WBXYBYQOSUUERL-UHFFFAOYSA-N	-1	0	238.224	1.643	40	30		BDEBRM
C#C[C@@](C)(O)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000004958435	166214200	/nfs/dbraw/zinc/21/42/00/166214200.db2.gz	FZCUXHXSOMOLQL-KBVBSXBZSA-N	-1	0	210.273	1.508	40	30		BDEBRM
CCOC(=O)/C(=N/[O-])c1cccc([N+](=O)[O-])c1	ZINC000105021527	520397090	/nfs/dbraw/zinc/39/70/90/520397090.db2.gz	VGVIVMFQQNPCDI-PKNBQFBNSA-N	-1	0	238.199	1.336	40	30		BDEBRM
CC(C)(CO)/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000017429110	342924796	/nfs/dbraw/zinc/92/47/96/342924796.db2.gz	VVLJHBXYWPJECU-WUXMJOGZSA-N	-1	0	238.243	1.490	40	30		BDEBRM
COc1cccc(C[C@H](C#N)C(=O)[O-])c1OC	ZINC000585656325	345468581	/nfs/dbraw/zinc/46/85/81/345468581.db2.gz	QGEMAZFWMCOXDM-SECBINFHSA-N	-1	0	235.239	1.471	40	30		BDEBRM
Cc1nn(Cc2ccc(C#N)cc2)cc1C(=O)[O-]	ZINC000080044746	180391498	/nfs/dbraw/zinc/39/14/98/180391498.db2.gz	HVLQTKTXQWHECX-UHFFFAOYSA-N	-1	0	241.250	1.810	40	30		BDEBRM
C#CCOc1ccc(/C=C/C(=O)[O-])cc1	ZINC000026517014	187665662	/nfs/dbraw/zinc/66/56/62/187665662.db2.gz	FBWSQRWQAVNKLC-VMPITWQZSA-N	-1	0	202.209	1.796	40	30		BDEBRM
C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000043867390	352642024	/nfs/dbraw/zinc/64/20/24/352642024.db2.gz	ILEWJXYUGXQFLG-VIFPVBQESA-N	-1	0	241.287	1.768	40	30		BDEBRM
N#Cc1cccc2c1cccc2S(=O)(=O)[O-]	ZINC000001714055	188274190	/nfs/dbraw/zinc/27/41/90/188274190.db2.gz	IXLPVSOKPVEXBR-UHFFFAOYSA-N	-1	0	233.248	1.958	40	30		BDEBRM
CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000004545665	188277046	/nfs/dbraw/zinc/27/70/46/188277046.db2.gz	URECKFUGFWSKDB-POHAHGRESA-N	-1	0	223.188	1.467	40	30		BDEBRM
C=CCc1cc([N+](=O)[O-])cc(C=O)c1[O-]	ZINC000037630350	188325242	/nfs/dbraw/zinc/32/52/42/188325242.db2.gz	MZVXMHBNAWVNMO-UHFFFAOYSA-N	-1	0	207.185	1.841	40	30		BDEBRM
N#CC1=C([O-])CC(=O)C[C@H]1c1ccccc1	ZINC000100364978	181067500	/nfs/dbraw/zinc/06/75/00/181067500.db2.gz	HDOYKMMLTJTTEK-NWDGAFQWSA-N	-1	0	213.236	1.842	40	30		BDEBRM
O=C([O-])CO/N=C/c1cccc(Cl)c1	ZINC000070184761	383883184	/nfs/dbraw/zinc/88/31/84/383883184.db2.gz	VSRHSZMTXQOKJP-VZUCSPMQSA-N	-1	0	213.620	1.775	40	30		BDEBRM
C=CCOC(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000036467354	384242059	/nfs/dbraw/zinc/24/20/59/384242059.db2.gz	NZJPKTHROVSYLI-QMMMGPOBSA-N	-1	0	213.233	1.248	40	30		BDEBRM
CC(=CC(=O)[O-])[NH2+]Nc1ccccc1[N+](=O)[O-]	ZINC000016136664	384452327	/nfs/dbraw/zinc/45/23/27/384452327.db2.gz	SWGQSIHEJCYOLF-XFFZJAGNSA-N	-1	0	237.215	1.857	40	30		BDEBRM
[O-]/N=C/c1cccc2c1OC(F)(F)O2	ZINC000096171568	384440821	/nfs/dbraw/zinc/44/08/21/384440821.db2.gz	WZWUAOQRFKNBJQ-NYYWCZLTSA-N	-1	0	201.128	1.816	40	30		BDEBRM
O=C([O-])C#Cc1cc(Br)cs1	ZINC000084511689	384732178	/nfs/dbraw/zinc/73/21/78/384732178.db2.gz	YMTOIYVJOGMCIS-UHFFFAOYSA-N	-1	0	231.070	1.947	40	30		BDEBRM
O=C(/C(Cl)=N\[O-])c1ccc(O)c(O)c1	ZINC000104327968	384821337	/nfs/dbraw/zinc/82/13/37/384821337.db2.gz	ZSVQBNPIBKJYIE-CSKARUKUSA-N	-1	0	215.592	1.307	40	30		BDEBRM
C[C@@H](/C(=N/[O-])c1ccccc1)N1CC[C@H](O)O1	ZINC000102861403	387356033	/nfs/dbraw/zinc/35/60/33/387356033.db2.gz	IYWNAOSGSFKBIF-JQGLEWAKSA-N	-1	0	236.271	1.209	40	30		BDEBRM
C#C[C@@](C)(O)[C@H]1C[C@@H](CC(=O)[O-])C1(C)C	ZINC000002045305	166214188	/nfs/dbraw/zinc/21/41/88/166214188.db2.gz	FZCUXHXSOMOLQL-HOTUBEGUSA-N	-1	0	210.273	1.508	40	30		BDEBRM
CC(C)Oc1ncc(C(=O)[O-])cc1C#N	ZINC000095803743	167314573	/nfs/dbraw/zinc/31/45/73/167314573.db2.gz	VJNXIXYJXKCOIA-UHFFFAOYSA-N	-1	0	206.201	1.439	40	30		BDEBRM
CCOC(=O)C(C#N)=C([O-])c1ccccc1	ZINC000000333883	170263505	/nfs/dbraw/zinc/26/35/05/170263505.db2.gz	CXMQFPHQYBORTB-SNVBAGLBSA-N	-1	0	217.224	1.572	40	30		BDEBRM
CCn1c2ccccc2c([O-])c(/C=N/N)c1=O	ZINC000005477493	172131594	/nfs/dbraw/zinc/13/15/94/172131594.db2.gz	FCVHPGGLTDKNPY-VGOFMYFVSA-N	-1	0	231.255	1.020	40	30		BDEBRM
COc1cccc2[n-]cc(C#N)c(=O)c21	ZINC000039185737	175307267	/nfs/dbraw/zinc/30/72/67/175307267.db2.gz	FBZWGJLDVKSZDW-UHFFFAOYSA-N	-1	0	200.197	1.821	40	30		BDEBRM
CC(C)[C@H](/N=C/c1ccccc1O)C(=O)[O-]	ZINC000001654229	342707412	/nfs/dbraw/zinc/70/74/12/342707412.db2.gz	RUNAUAUFPNXLFO-DELQEKLWSA-N	-1	0	221.256	1.920	40	30	in-vitro	BDEBRM
O=C([O-])[C@H]1CCCN1/N=C/c1ccccc1	ZINC000001707679	342710398	/nfs/dbraw/zinc/71/03/98/342710398.db2.gz	VFVVIZATTOUFPZ-VSXLWIIGSA-N	-1	0	218.256	1.570	40	30		BDEBRM
CCOC(=O)C#Cc1csc(C(=O)[O-])c1	ZINC000585143908	398283445	/nfs/dbraw/zinc/28/34/45/398283445.db2.gz	SEMBWLGLJWUXMM-UHFFFAOYSA-N	-1	0	224.237	1.361	40	30		BDEBRM
COc1cc(C=C(C(C)=O)[N+](=O)[O-])ccc1O	ZINC000016138706	342907006	/nfs/dbraw/zinc/90/70/06/342907006.db2.gz	BSHJAMOPTIPPEH-WEVVVXLNSA-N	-1	0	237.211	1.607	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2ccnc2)nc1	ZINC000585145139	344179973	/nfs/dbraw/zinc/17/99/73/344179973.db2.gz	DRRZSDXAZFDMNV-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
C[C@@H](C(=O)[O-])C(=O)ONc1ccccc1	ZINC000000156384	346401367	/nfs/dbraw/zinc/40/13/67/346401367.db2.gz	KWJRUPSNNJQWAY-ZETCQYMHSA-N	-1	0	209.201	1.277	40	30		BDEBRM
N#Cc1cnc(C(F)(F)F)c(C(=O)[O-])c1	ZINC000096515761	188321193	/nfs/dbraw/zinc/32/11/93/188321193.db2.gz	AGIHKLSDPMERCV-UHFFFAOYSA-N	-1	0	216.118	1.670	40	30		BDEBRM
N#Cc1[n-]c(=O)n(-c2ccc(Cl)cc2)c1N	ZINC000001638900	181072098	/nfs/dbraw/zinc/07/20/98/181072098.db2.gz	GLSYKEBJFKRXOC-UHFFFAOYSA-N	-1	0	234.646	1.273	40	30		BDEBRM
C=C(C)COc1ccc(C(=O)[O-])cc1N	ZINC000036225670	259519970	/nfs/dbraw/zinc/51/99/70/259519970.db2.gz	CXTGNGKWWGQQGU-UHFFFAOYSA-N	-1	0	207.229	1.922	40	30		BDEBRM
O=C([O-])CCC(=O)C=C1Nc2ccccc2C1=O	ZINC000005159136	384103539	/nfs/dbraw/zinc/10/35/39/384103539.db2.gz	CQGTWYJXHYSYMN-YRNVUSSQSA-N	-1	0	245.234	1.613	40	30		BDEBRM
COC(=O)CC1=Nc2scc([O-])c2[C@@H](C)C1	ZINC000104223323	384813511	/nfs/dbraw/zinc/81/35/11/384813511.db2.gz	RZMDAJDYPOWCRZ-BBEKVSQQSA-N	-1	0	239.296	1.200	40	30		BDEBRM
[O-]/N=C/c1ccccc1-c1nn2cnnc2s1	ZINC000041127179	386555061	/nfs/dbraw/zinc/55/50/61/386555061.db2.gz	DWNIQCNJVBJXEK-LFYBBSHMSA-N	-1	0	245.267	1.661	40	30		BDEBRM
C#CCn1c(C(C)=O)cc(C(=O)[O-])c1CCC	ZINC000078404591	387281983	/nfs/dbraw/zinc/28/19/83/387281983.db2.gz	YINVSWNYAKMOME-UHFFFAOYSA-N	-1	0	233.267	1.975	40	30		BDEBRM
CCN(CC)c1ccc(C=Nc2nn[nH]n2)cc1	ZINC000254311403	388838160	/nfs/dbraw/zinc/83/81/60/388838160.db2.gz	DZUYMBPVPGFPMN-UHFFFAOYSA-N	-1	0	244.302	1.797	40	30		BDEBRM
N#Cc1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000169805444	132445233	/nfs/dbraw/zinc/44/52/33/132445233.db2.gz	JQCQVKNXZJCQNH-UHFFFAOYSA-N	-1	0	232.239	1.093	40	30		BDEBRM
COC(=O)c1cc(CC(C)C)[n-]c(=O)c1C#N	ZINC000225724659	173854177	/nfs/dbraw/zinc/85/41/77/173854177.db2.gz	OPSBTXJBJPDTSH-UHFFFAOYSA-N	-1	0	234.255	1.232	40	30		BDEBRM
COc1cc(OC)c(OC)cc1/C=N/[O-]	ZINC000002566599	175006913	/nfs/dbraw/zinc/00/69/13/175006913.db2.gz	OAAPUCPYMQYBML-IZZDOVSWSA-N	-1	0	211.217	1.521	40	30		BDEBRM
COc1ccc(C[C@@H](C#N)C(=O)[O-])cc1	ZINC000016697654	175114891	/nfs/dbraw/zinc/11/48/91/175114891.db2.gz	QILGOCXNADJVBY-VIFPVBQESA-N	-1	0	205.213	1.462	40	30		BDEBRM
C[C@H]1CCCC(C)(C)[C@]1(O)C#CC(=O)[O-]	ZINC000005742865	177069364	/nfs/dbraw/zinc/06/93/64/177069364.db2.gz	CLECYQRDJATPOF-CABZTGNLSA-N	-1	0	210.273	1.652	40	30		BDEBRM
C=C1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(=O)[O-])C1	ZINC000115071296	518664716	/nfs/dbraw/zinc/66/47/16/518664716.db2.gz	XDCPEAITKWRVEB-RKDXNWHRSA-N	-1	0	241.287	1.931	40	30		BDEBRM
Cn1nc(C(F)(F)F)c(C=N[O-])c1Cl	ZINC000255187427	527550828	/nfs/dbraw/zinc/55/08/28/527550828.db2.gz	DLPHSMVZPMWKEM-UHFFFAOYSA-N	-1	0	227.573	1.900	40	30		BDEBRM
Cc1ccc(-n2cc(/C=N/O)c(C(=O)[O-])n2)cc1	ZINC000072238889	178346068	/nfs/dbraw/zinc/34/60/68/178346068.db2.gz	HRAOZTYETNWKLI-AWNIVKPZSA-N	-1	0	245.238	1.687	40	30		BDEBRM
N#CCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000001671022	342707844	/nfs/dbraw/zinc/70/78/44/342707844.db2.gz	DKUUKDDUYQFPFQ-UHFFFAOYSA-N	-1	0	219.196	1.455	40	30		BDEBRM
C[C@]12CC[C@H](C/C1=N\N)[C@@]2(C)CCC(=O)[O-]	ZINC000217615032	398321848	/nfs/dbraw/zinc/32/18/48/398321848.db2.gz	WWAVABRYZCOUEX-WNXCUIQOSA-N	-1	0	224.304	1.992	40	30		BDEBRM
CC(=O)C1=C([O-])[C@@H](Cc2ccccc2)NC1=O	ZINC000017044758	342919838	/nfs/dbraw/zinc/91/98/38/342919838.db2.gz	KDCHPUAJMQKYQU-SNVBAGLBSA-N	-1	0	231.251	1.129	40	30		BDEBRM
O=C([O-])c1ccccc1C#CCN1CCCC1=O	ZINC000585145395	343880561	/nfs/dbraw/zinc/88/05/61/343880561.db2.gz	QQJHYAVDBKJMEU-UHFFFAOYSA-N	-1	0	243.262	1.359	40	30		BDEBRM
O=C([O-])C12C[C@H]3CC(C[C@H](C3)C1)/C2=N\O	ZINC000108424482	187546596	/nfs/dbraw/zinc/54/65/96/187546596.db2.gz	WHCYPTPQWKLIPU-RTGSPWJFSA-N	-1	0	209.245	1.728	40	30		BDEBRM
COC(=O)/C(CCC(=O)[O-])=N\c1ccccc1	ZINC000016189560	384453409	/nfs/dbraw/zinc/45/34/09/384453409.db2.gz	SOVBUXJAUVHDSK-RAXLEYEMSA-N	-1	0	235.239	1.797	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(Cl)c1	ZINC000137659620	384541800	/nfs/dbraw/zinc/54/18/00/384541800.db2.gz	SUOOBNFSYBNWBW-SECBINFHSA-N	-1	0	237.642	1.835	40	30		BDEBRM
C=CCOc1cc([N+](=O)[O-])sc1C(=O)[O-]	ZINC000096511079	385250035	/nfs/dbraw/zinc/25/00/35/385250035.db2.gz	NSCJEFQUUHDVPX-UHFFFAOYSA-N	-1	0	229.213	1.919	40	30		BDEBRM
CCS(=O)(=O)C/C(=N/[O-])c1ccc(C)cc1	ZINC000096524460	385274417	/nfs/dbraw/zinc/27/44/17/385274417.db2.gz	ZXHZFXPUGXMZTN-QXMHVHEDSA-N	-1	0	241.312	1.608	40	30		BDEBRM
C=CCOC(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000070199622	387044846	/nfs/dbraw/zinc/04/48/46/387044846.db2.gz	NZJPKTHROVSYLI-MRVPVSSYSA-N	-1	0	213.233	1.248	40	30		BDEBRM
C#CCOc1cc(C(=O)[O-])n(-c2ccccc2)n1	ZINC000218292553	166197546	/nfs/dbraw/zinc/19/75/46/166197546.db2.gz	RPUNEEJQKOJXPY-UHFFFAOYSA-N	-1	0	242.234	1.583	40	30		BDEBRM
C#C[C@@](C)(O)[C@H]1C[C@H](CC(=O)[O-])C1(C)C	ZINC000004958433	166214111	/nfs/dbraw/zinc/21/41/11/166214111.db2.gz	FZCUXHXSOMOLQL-VDDIYKPWSA-N	-1	0	210.273	1.508	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1C	ZINC000137659732	173763499	/nfs/dbraw/zinc/76/34/99/173763499.db2.gz	DVCKCJYZGNXMSO-SNVBAGLBSA-N	-1	0	217.224	1.491	40	30		BDEBRM
COc1ccc(C(=O)[O-])c(OCC#N)c1	ZINC000042224283	175064242	/nfs/dbraw/zinc/06/42/42/175064242.db2.gz	WKERTLOQAMCETH-UHFFFAOYSA-N	-1	0	207.185	1.296	40	30		BDEBRM
COc1ccc(OC)c(C[C@@H](C#N)C(=O)[O-])c1	ZINC000019730254	175166418	/nfs/dbraw/zinc/16/64/18/175166418.db2.gz	NZZIPZRDXHRVHA-VIFPVBQESA-N	-1	0	235.239	1.471	40	30		BDEBRM
C=CCOCc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000072209186	259315945	/nfs/dbraw/zinc/31/59/45/259315945.db2.gz	WQPBFLFCXFCZMX-UHFFFAOYSA-N	-1	0	237.211	1.996	40	30		BDEBRM
COC(=O)[C@H]1C(=O)CC(=O)[C@H]2CCCC[C@H]12	ZINC000004879611	342753869	/nfs/dbraw/zinc/75/38/69/342753869.db2.gz	MRQAPASIOWPHFB-DKCNOQQISA-N	-1	0	224.256	1.607	40	30		BDEBRM
O=C([O-])c1ccnc(C#CCn2ccnc2)c1	ZINC000585145400	343880571	/nfs/dbraw/zinc/88/05/71/343880571.db2.gz	RACSVMQEMQJGAE-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
C=CCc1cc(C(=O)[O-])cc(OC)c1O	ZINC000007604059	346663908	/nfs/dbraw/zinc/66/39/08/346663908.db2.gz	RQJHCTMKSAXOPH-UHFFFAOYSA-N	-1	0	208.213	1.828	40	30		BDEBRM
O=C([O-])C(Cl)=C(Cl)C=Nc1nc[nH]n1	ZINC000104224227	191065916	/nfs/dbraw/zinc/06/59/16/191065916.db2.gz	SLJKYSKEHJSPHV-KSUDHCCASA-N	-1	0	235.030	1.281	40	30		BDEBRM
CC(=O)/C(=N\[O-])C(=O)OCc1ccccc1	ZINC000017376417	187588211	/nfs/dbraw/zinc/58/82/11/187588211.db2.gz	NUEOCDPXZSQJMD-ZRDIBKRKSA-N	-1	0	221.212	1.149	40	30		BDEBRM
N#CC(C#N)=C([O-])c1ccccc1[N+](=O)[O-]	ZINC000088329496	188318273	/nfs/dbraw/zinc/31/82/73/188318273.db2.gz	WZJDIJYUSDIWBQ-UHFFFAOYSA-N	-1	0	215.168	1.441	40	30		BDEBRM
N#CCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000072333511	181034271	/nfs/dbraw/zinc/03/42/71/181034271.db2.gz	COWSGBXZWVOPNF-UHFFFAOYSA-N	-1	0	218.212	1.166	40	30		BDEBRM
N#Cc1ccc2ccccc2c1S(=O)(=O)[O-]	ZINC000079006389	181133333	/nfs/dbraw/zinc/13/33/33/181133333.db2.gz	AQNKLEDNLNYRAZ-UHFFFAOYSA-N	-1	0	233.248	1.958	40	30		BDEBRM
C=C(C)CNC(=S)Nc1n[nH]c(SC)n1	ZINC000016138605	355885638	/nfs/dbraw/zinc/88/56/38/355885638.db2.gz	NXHPLUDUBVBRNC-UHFFFAOYSA-N	-1	0	243.361	1.389	40	30		BDEBRM
O=CC(=CNc1ccc(C(=O)[O-])cc1)[N+](=O)[O-]	ZINC000104157183	182563615	/nfs/dbraw/zinc/56/36/15/182563615.db2.gz	UOLZXAWDNSWALY-YHJPOJEASA-N	-1	0	236.183	1.763	40	30		BDEBRM
Cc1ccc(C)c([C@@H](C#N)C(=O)C(=O)[O-])c1	ZINC000001752304	383933937	/nfs/dbraw/zinc/93/39/37/383933937.db2.gz	GBIBWCFHETWHQN-SNVBAGLBSA-N	-1	0	217.224	1.564	40	30		BDEBRM
C=CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000083259259	384285896	/nfs/dbraw/zinc/28/58/96/384285896.db2.gz	AJBUKLQZLAOFEA-MRVPVSSYSA-N	-1	0	245.275	1.167	40	30		BDEBRM
O=C([O-])CCC(=O)C=C1Nc2ccccc2C1=O	ZINC000016980615	384476126	/nfs/dbraw/zinc/47/61/26/384476126.db2.gz	CQGTWYJXHYSYMN-XFFZJAGNSA-N	-1	0	245.234	1.613	40	30		BDEBRM
C=C(C)COc1c(CC(=O)[O-])cnn1C	ZINC000072226176	385126064	/nfs/dbraw/zinc/12/60/64/385126064.db2.gz	BBVCBHGLSNHIAX-UHFFFAOYSA-N	-1	0	210.233	1.002	40	30		BDEBRM
O=C([O-])CCNC1=CC(=O)c2ccccc2C1=O	ZINC000031750645	385103104	/nfs/dbraw/zinc/10/31/04/385103104.db2.gz	UBOBFXKJVLLOBY-UHFFFAOYSA-N	-1	0	245.234	1.014	40	30		BDEBRM
CS(=O)(=O)C/C(=N/[O-])c1ccc(F)cc1	ZINC000096524443	385274460	/nfs/dbraw/zinc/27/44/60/385274460.db2.gz	UTUYPSKJMSMASC-LUAWRHEFSA-N	-1	0	231.248	1.049	40	30		BDEBRM
COc1cc(C#N)c(Cl)cc1OCC(=O)[O-]	ZINC000218294693	385926431	/nfs/dbraw/zinc/92/64/31/385926431.db2.gz	ZDDGOKFFSMGYJY-UHFFFAOYSA-N	-1	0	241.630	1.684	40	30		BDEBRM
COC(=O)c1cc(C#N)cc(C(=O)[O-])c1	ZINC000014984995	386033260	/nfs/dbraw/zinc/03/32/60/386033260.db2.gz	WHSHUFHWIYUPNQ-UHFFFAOYSA-N	-1	0	205.169	1.043	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000226102223	386234822	/nfs/dbraw/zinc/23/48/22/386234822.db2.gz	UEQSSFMNHCXCCW-VIFPVBQESA-N	-1	0	248.194	1.090	40	30		BDEBRM
C=CCn1cccc1/C=N/OCC(=O)[O-]	ZINC000226032952	386234915	/nfs/dbraw/zinc/23/49/15/386234915.db2.gz	ALEPXIVZONXTRR-YRNVUSSQSA-N	-1	0	208.217	1.109	40	30		BDEBRM
C[C@@]1(CC(=O)[O-])[C@H]2CC[C@]1(C)/C(=N/N)C2	ZINC000225603765	388622922	/nfs/dbraw/zinc/62/29/22/388622922.db2.gz	LQAONRUOCAOQEY-LPLWWPNRSA-N	-1	0	210.277	1.602	40	30		BDEBRM
C#CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000071745705	166204653	/nfs/dbraw/zinc/20/46/53/166204653.db2.gz	RHJSEALENIKHQU-LLVKDONJSA-N	-1	0	227.260	1.378	40	30		BDEBRM
COc1ccc(OC)c([C@H](/C=N/[O-])OC)c1	ZINC000104190143	175167885	/nfs/dbraw/zinc/16/78/85/175167885.db2.gz	SOOFYWAERRTYCE-WBOGTDJTSA-N	-1	0	225.244	1.851	40	30		BDEBRM
C[C@H]1CCCC(C)(C)[C@@]1(O)C#CC(=O)[O-]	ZINC000001599882	177069674	/nfs/dbraw/zinc/06/96/74/177069674.db2.gz	CLECYQRDJATPOF-JOYOIKCWSA-N	-1	0	210.273	1.652	40	30		BDEBRM
C[C@H]1CCc2[n-]c(=O)c(C#N)c(C#N)c2C1	ZINC000036559015	177209884	/nfs/dbraw/zinc/20/98/84/177209884.db2.gz	WEVHQPWPTNEESX-ZETCQYMHSA-N	-1	0	213.240	1.655	40	30		BDEBRM
N/C(=N/[O-])c1c(Cl)cccc1[N+](=O)[O-]	ZINC000199758866	136216716	/nfs/dbraw/zinc/21/67/16/136216716.db2.gz	RYAHULABZHUYEM-UHFFFAOYSA-N	-1	0	215.596	1.343	40	30		BDEBRM
CCN(CC)/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000001688657	342709275	/nfs/dbraw/zinc/70/92/75/342709275.db2.gz	SQXJAOMKWSSNOB-XYOKQWHBSA-N	-1	0	237.259	1.976	40	30		BDEBRM
Cc1nonc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000038186230	343372433	/nfs/dbraw/zinc/37/24/33/343372433.db2.gz	ODQVKQOFLCDVIQ-VZUCSPMQSA-N	-1	0	248.198	1.742	40	30		BDEBRM
C[C@H](CN=Nc1nnn[n-]1)c1ccccc1	ZINC000006468714	346649616	/nfs/dbraw/zinc/64/96/16/346649616.db2.gz	WHDGXYMSPXPCPZ-XAPLUZPNSA-N	-1	0	216.248	1.401	40	30		BDEBRM
CCOc1ccc(/C=N/O)cc1C(=O)[O-]	ZINC000008324448	346675361	/nfs/dbraw/zinc/67/53/61/346675361.db2.gz	YIDYXWVFELOUKE-IZZDOVSWSA-N	-1	0	209.201	1.592	40	30		BDEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=NC(N)=O	ZINC000100926499	180330275	/nfs/dbraw/zinc/33/02/75/180330275.db2.gz	LEAZPWRDALTESX-VGOFMYFVSA-N	-1	0	244.254	1.384	40	30		BDEBRM
CC(C)(O)C#Cc1ccc(/C=N\O)cc1	ZINC000000161419	188272387	/nfs/dbraw/zinc/27/23/87/188272387.db2.gz	YWARVELZTLHCRL-LCYFTJDESA-N	-1	0	203.241	1.617	40	30		BDEBRM
CCc1ccccc1NC(=O)/C(=N\[O-])C(C)=O	ZINC000104287563	188324410	/nfs/dbraw/zinc/32/44/10/188324410.db2.gz	NKGHUXASFPRBKC-KAMYIIQDSA-N	-1	0	234.255	1.607	40	30		BDEBRM
COc1ccc(NC(=O)/C(=N\[O-])C(C)=O)cc1	ZINC000104286901	188324496	/nfs/dbraw/zinc/32/44/96/188324496.db2.gz	VUICOSUQFXRPIF-RAXLEYEMSA-N	-1	0	236.227	1.053	40	30		BDEBRM
N#CCc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000002526746	181048131	/nfs/dbraw/zinc/04/81/31/181048131.db2.gz	WSWMKJWDGKJFAO-UHFFFAOYSA-N	-1	0	206.157	1.359	40	30		BDEBRM
N#Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000002581340	181081835	/nfs/dbraw/zinc/08/18/35/181081835.db2.gz	LWHWSXVTGCREDO-UHFFFAOYSA-N	-1	0	243.016	1.935	40	30		BDEBRM
N/C(=N/[O-])c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000199796236	181180076	/nfs/dbraw/zinc/18/00/76/181180076.db2.gz	UDTAUEUKDYSDIJ-UHFFFAOYSA-N	-1	0	215.596	1.343	40	30		BDEBRM
C=CCOC(=O)c1cc(Cl)cc2n[nH]nc21	ZINC000073633952	384024193	/nfs/dbraw/zinc/02/41/93/384024193.db2.gz	NTNJDEKNGAEDSQ-UHFFFAOYSA-N	-1	0	237.646	1.954	40	30		BDEBRM
[O-]/N=C(\Cn1cccn1)c1ccccc1	ZINC000102076945	386566289	/nfs/dbraw/zinc/56/62/89/386566289.db2.gz	JCFGIQDGEVEYRN-ACCUITESSA-N	-1	0	201.229	1.762	40	30		BDEBRM
C=CCn1nc2ccc(C(=O)[O-])cc2n1	ZINC000107838349	388607473	/nfs/dbraw/zinc/60/74/73/388607473.db2.gz	UWFVNFWNQHFPLV-UHFFFAOYSA-N	-1	0	203.201	1.316	40	30		BDEBRM
CC(C)Oc1ccccc1CN=Nc1nnn[n-]1	ZINC000005230918	167308627	/nfs/dbraw/zinc/30/86/27/167308627.db2.gz	JDULIUXYTOKTKF-KPKJPENVSA-N	-1	0	246.274	1.433	40	30		BDEBRM
COc1cc(OC)c(/C=N/[O-])c(OC)c1	ZINC000033846435	175006724	/nfs/dbraw/zinc/00/67/24/175006724.db2.gz	UGCMJRGHQWYGCF-IZZDOVSWSA-N	-1	0	211.217	1.521	40	30		BDEBRM
COc1ccc(/C=N/OCC(=O)[O-])c(OC)c1	ZINC000069054855	175048891	/nfs/dbraw/zinc/04/88/91/175048891.db2.gz	BDPRJIJZLKXNPF-WUXMJOGZSA-N	-1	0	239.227	1.139	40	30		BDEBRM
COc1ccc(C(=O)/C=C\C(=O)[O-])cc1	ZINC000031623640	175052977	/nfs/dbraw/zinc/05/29/77/175052977.db2.gz	WORYXBDHTBWLLL-SREVYHEPSA-N	-1	0	206.197	1.519	40	30		BDEBRM
C=C1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1	ZINC000115071295	518666632	/nfs/dbraw/zinc/66/66/32/518666632.db2.gz	XDCPEAITKWRVEB-IUCAKERBSA-N	-1	0	241.287	1.931	40	30		BDEBRM
NN=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000254869162	527268742	/nfs/dbraw/zinc/26/87/42/527268742.db2.gz	MFGATNXEAQDBJY-UHFFFAOYSA-N	-1	0	205.044	1.992	40	30		BDEBRM
O=CC(=CNc1ccc(C(=O)[O-])cc1)[N+](=O)[O-]	ZINC000104157176	398323830	/nfs/dbraw/zinc/32/38/30/398323830.db2.gz	UOLZXAWDNSWALY-XIPKQYMXSA-N	-1	0	236.183	1.763	40	30		BDEBRM
COC(=O)C=C([O-])c1cccc(C#N)c1	ZINC000084199428	344102234	/nfs/dbraw/zinc/10/22/34/344102234.db2.gz	ZOAIIXLGOOLTPF-UHFFFAOYSA-N	-1	0	203.197	1.304	40	30		BDEBRM
CCc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000003605209	188275336	/nfs/dbraw/zinc/27/53/36/188275336.db2.gz	UASHLASOQTVJOD-XFFZJAGNSA-N	-1	0	220.224	1.958	40	30		BDEBRM
CC(=N/[O-])/C(C)=N\OC(=O)C(F)(F)F	ZINC000018996801	188280635	/nfs/dbraw/zinc/28/06/35/188280635.db2.gz	YWTQZAVYZGZNSF-NPHMRBADSA-N	-1	0	212.127	1.318	40	30		BDEBRM
C=C(Br)Cn1cc(C(=O)[O-])cn1	ZINC000037681717	188287468	/nfs/dbraw/zinc/28/74/68/188287468.db2.gz	CVLYEMBPUDDMEY-UHFFFAOYSA-N	-1	0	231.049	1.490	40	30		BDEBRM
N#Cc1c2c([n-]c(=O)c1C(N)=O)CCCCCC2	ZINC000078549850	181078992	/nfs/dbraw/zinc/07/89/92/181078992.db2.gz	NZOQFKFHKVWSTM-UHFFFAOYSA-N	-1	0	245.282	1.004	40	30		BDEBRM
N#Cc1cc([N+](=O)[O-])ccc1SCC(=O)[O-]	ZINC000016385683	181093379	/nfs/dbraw/zinc/09/33/79/181093379.db2.gz	BGRJRMQXABEJAZ-UHFFFAOYSA-N	-1	0	238.224	1.643	40	30		BDEBRM
NC1=C([S-])C(=O)c2ccccc2C1=O	ZINC000100565925	181337728	/nfs/dbraw/zinc/33/77/28/181337728.db2.gz	KOWUSQUHRUZOIH-UHFFFAOYSA-N	-1	0	205.238	1.166	40	30		BDEBRM
C=CCSc1ncc(/C=C/C(=O)[O-])cn1	ZINC000008730880	383931094	/nfs/dbraw/zinc/93/10/94/383931094.db2.gz	HABMKELCMAOAFT-ONEGZZNKSA-N	-1	0	222.269	1.853	40	30		BDEBRM
COc1cc(/C=N/O)cc(/C=N/[O-])c1O	ZINC000100978992	384359907	/nfs/dbraw/zinc/35/99/07/384359907.db2.gz	FZBDFWKLMTWREJ-ZVSIBQGLSA-N	-1	0	210.189	1.017	40	30		BDEBRM
O=C([O-])CO/N=C/c1ccccc1Cl	ZINC000001732190	384449833	/nfs/dbraw/zinc/44/98/33/384449833.db2.gz	AACSAEBQEMHMPL-VZUCSPMQSA-N	-1	0	213.620	1.775	40	30		BDEBRM
CC1(C)C/C(=N\O)C[C@@](C)(S(=O)(=O)[O-])C1	ZINC000104266102	384818495	/nfs/dbraw/zinc/81/84/95/384818495.db2.gz	QXCBQYMBVRDFTF-YIXGCBLDSA-N	-1	0	235.305	1.673	40	30		BDEBRM
O=C(C=Cc1ccco1)C1=C([O-])CCC1=O	ZINC000104233145	384814469	/nfs/dbraw/zinc/81/44/69/384814469.db2.gz	CLJPXFKAMUGLIG-ONEGZZNKSA-N	-1	0	218.208	1.410	40	30		BDEBRM
O=C([O-])c1nn(-c2ccccc2)cc1/C=N/O	ZINC000072238882	384845284	/nfs/dbraw/zinc/84/52/84/384845284.db2.gz	YSKAIIDEXQRXBY-WUXMJOGZSA-N	-1	0	231.211	1.379	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000226102089	398086441	/nfs/dbraw/zinc/08/64/41/398086441.db2.gz	HHSICBLJJCESTP-VIFPVBQESA-N	-1	0	237.642	1.835	40	30		BDEBRM
CC(C)[C@@H](/N=C\c1ccccc1O)C(=O)[O-]	ZINC000100132740	167337989	/nfs/dbraw/zinc/33/79/89/167337989.db2.gz	RUNAUAUFPNXLFO-NUBYWOLOSA-N	-1	0	221.256	1.920	40	30	in-vitro	BDEBRM
CC(C)[C@@H](/N=C/c1ccccc1O)C(=O)[O-]	ZINC000013099239	167338360	/nfs/dbraw/zinc/33/83/60/167338360.db2.gz	RUNAUAUFPNXLFO-ZTFCMROMSA-N	-1	0	221.256	1.920	40	30	in-vitro	BDEBRM
COc1cccc(/C=N/OCC(=O)[O-])c1OC	ZINC000069054831	175241793	/nfs/dbraw/zinc/24/17/93/175241793.db2.gz	CBHJWMXIMZVZGD-WUXMJOGZSA-N	-1	0	239.227	1.139	40	30		BDEBRM
COc1cccc(C[C@H](C#N)C(=O)[O-])c1	ZINC000016697636	175271969	/nfs/dbraw/zinc/27/19/69/175271969.db2.gz	GWCOUECFJCTSLE-SECBINFHSA-N	-1	0	205.213	1.462	40	30		BDEBRM
O=C([O-])C=NNC(=S)Nc1ccccc1	ZINC000001969785	398238545	/nfs/dbraw/zinc/23/85/45/398238545.db2.gz	OOYVPSQEAJXWKY-UXBLZVDNSA-N	-1	0	223.257	1.455	40	30		BDEBRM
O=c1cc([O-])cc(C(Cl)(Cl)Cl)o1	ZINC000001597005	342704995	/nfs/dbraw/zinc/70/49/95/342704995.db2.gz	TXMTZIHJRPOXGQ-UHFFFAOYSA-N	-1	0	229.446	1.757	40	30		BDEBRM
COC(=O)[C@H]1C(=O)CC(=O)[C@H]2CCCC[C@@H]12	ZINC000004879607	342753957	/nfs/dbraw/zinc/75/39/57/342753957.db2.gz	MRQAPASIOWPHFB-VAOFZXAKSA-N	-1	0	224.256	1.607	40	30		BDEBRM
O=C([O-])[C@H]1CCCN1/N=C\c1ccccc1	ZINC000031672605	343222548	/nfs/dbraw/zinc/22/25/48/343222548.db2.gz	VFVVIZATTOUFPZ-NASPGAHYSA-N	-1	0	218.256	1.570	40	30		BDEBRM
[O-]N=Cc1nncc(-c2ccccc2)n1	ZINC000261492866	136281253	/nfs/dbraw/zinc/28/12/53/136281253.db2.gz	MUCFVKVYEZRNGZ-UHFFFAOYSA-N	-1	0	200.201	1.347	40	30		BDEBRM
C#CCCCn1cc(/C=C/C(=O)[O-])cn1	ZINC000575623508	343876380	/nfs/dbraw/zinc/87/63/80/343876380.db2.gz	WEZAAFMDOCXRGC-AATRIKPKSA-N	-1	0	204.229	1.394	40	30		BDEBRM
O=C([O-])c1cccc(C#CCn2cccn2)c1	ZINC000585145432	343881133	/nfs/dbraw/zinc/88/11/33/343881133.db2.gz	ULOFPVQCTPLJHC-UHFFFAOYSA-N	-1	0	226.235	1.633	40	30		BDEBRM
O=C([O-])c1cccnc1C#CCn1cccn1	ZINC000585145141	344179903	/nfs/dbraw/zinc/17/99/03/344179903.db2.gz	DWDUQRQXJMOEQD-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
Cn1c2ccccc2nc1/C(C#N)=N\[O-]	ZINC000018165016	347278837	/nfs/dbraw/zinc/27/88/37/347278837.db2.gz	SVFFZAWSUDKAQB-JYRVWZFOSA-N	-1	0	200.201	1.275	40	30		BDEBRM
CC(C)[C@H](/N=C\c1ccccc1O)C(=O)[O-]	ZINC000013099241	188279820	/nfs/dbraw/zinc/27/98/20/188279820.db2.gz	RUNAUAUFPNXLFO-HKMIMPICSA-N	-1	0	221.256	1.920	40	30	in-vitro	BDEBRM
COc1ccc(NC(=O)/C=N/[O-])c(Cl)c1	ZINC000017301272	188281250	/nfs/dbraw/zinc/28/12/50/188281250.db2.gz	GRSYEABXQWAIBV-VZUCSPMQSA-N	-1	0	228.635	1.747	40	30		BDEBRM
O=C([O-])/C=C/C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000034797461	188284559	/nfs/dbraw/zinc/28/45/59/188284559.db2.gz	XBGYVGSMVMQCQH-AATRIKPKSA-N	-1	0	221.168	1.418	40	30		BDEBRM
N#Cc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000001719015	181129418	/nfs/dbraw/zinc/12/94/18/181129418.db2.gz	WVANBSNWXQURMW-UHFFFAOYSA-N	-1	0	233.248	1.958	40	30		BDEBRM
C#CCOc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000034958360	356703583	/nfs/dbraw/zinc/70/35/83/356703583.db2.gz	VKSAXVAXVFUADJ-UHFFFAOYSA-N	-1	0	221.168	1.305	40	30		BDEBRM
[O-]/N=C(/c1ccco1)[C@H](O)c1ccco1	ZINC000017286059	384486311	/nfs/dbraw/zinc/48/63/11/384486311.db2.gz	IBNMNXJQIJQANW-QLWWJYNRSA-N	-1	0	207.185	1.785	40	30		BDEBRM
[O-]/N=C1\CCCCn2c1nnc2C(F)(F)F	ZINC000096509926	385246217	/nfs/dbraw/zinc/24/62/17/385246217.db2.gz	NGOOXFITLWGHSI-LHHJGKSTSA-N	-1	0	234.181	1.659	40	30		BDEBRM
CCC(=O)C(C(=O)[O-])=C1SCCS1	ZINC000062716049	388655159	/nfs/dbraw/zinc/65/51/59/388655159.db2.gz	MRIZSWRMBPLSON-UHFFFAOYSA-N	-1	0	218.299	1.742	40	30		BDEBRM
C#CCOc1cc(C=O)cc(OCC)c1[O-]	ZINC000226233654	166197745	/nfs/dbraw/zinc/19/77/45/166197745.db2.gz	AQRAZPNQRCBADP-UHFFFAOYSA-N	-1	0	220.224	1.615	40	30		BDEBRM
C=CCN1C(=O)N=C([O-])[C@@H](c2ccccc2)C1=O	ZINC000001563717	166350123	/nfs/dbraw/zinc/35/01/23/166350123.db2.gz	JURRXBKKSGGYFV-SNVBAGLBSA-N	-1	0	244.250	1.035	40	30		BDEBRM
CCn1c(C)cc(/C=N/OCC(=O)[O-])c1C	ZINC000086592195	172134137	/nfs/dbraw/zinc/13/41/37/172134137.db2.gz	ITSBNMPATLIWSH-WUXMJOGZSA-N	-1	0	224.260	1.560	40	30		BDEBRM
O=C1c2cc3c(cc2C(=O)C(O)=C1[O-])OCO3	ZINC000104240384	491128133	/nfs/dbraw/zinc/12/81/33/491128133.db2.gz	WHKPLWQNGMNKMZ-UHFFFAOYSA-N	-1	0	234.163	1.122	40	30		BDEBRM
N#Cc1c(F)c(F)c(C(=O)[O-])c(F)c1F	ZINC000136842576	526521913	/nfs/dbraw/zinc/52/19/13/526521913.db2.gz	ZJQYQPPPUBJOER-UHFFFAOYSA-N	-1	0	219.093	1.813	40	30		BDEBRM
COc1cc(/C(C)=N/O)cc(OC)c1OC	ZINC000014774868	342886752	/nfs/dbraw/zinc/88/67/52/342886752.db2.gz	LGCDHCGMGDSSIO-KPKJPENVSA-N	-1	0	225.244	1.911	40	30		BDEBRM
O=C([O-])c1ccnc(C#CCn2cccn2)c1	ZINC000585145378	344180433	/nfs/dbraw/zinc/18/04/33/344180433.db2.gz	PUAXYHYPUOXYNV-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
CCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000001747163	346471086	/nfs/dbraw/zinc/47/10/86/346471086.db2.gz	AKNYOKYZDYHBIY-JTQLQIEISA-N	-1	0	215.293	1.936	40	30		BDEBRM
CCCCCCCC(=O)N(C)CC(=O)[O-]	ZINC000100921960	168648216	/nfs/dbraw/zinc/64/82/16/168648216.db2.gz	ZSVCWNGWNORSJG-UHFFFAOYSA-N	-1	0	215.293	1.890	40	30		BDEBRM
C#CCOc1ccc([N+](=O)[O-])c([O-])c1C	ZINC000036018989	188233647	/nfs/dbraw/zinc/23/36/47/188233647.db2.gz	VLIIAPZQLMXDLR-UHFFFAOYSA-N	-1	0	207.185	1.621	40	30		BDEBRM
O=C([O-])C(Cl)=C(Cl)C=Nc1nc[nH]n1	ZINC000001579919	188274423	/nfs/dbraw/zinc/27/44/23/188274423.db2.gz	SLJKYSKEHJSPHV-GPVLFDCGSA-N	-1	0	235.030	1.281	40	30		BDEBRM
C/C(=N\O)c1ccc(OC[C@@H](C)O)cc1O	ZINC000005532433	188277363	/nfs/dbraw/zinc/27/73/63/188277363.db2.gz	NATRJXKKFIHPAW-MEEZGBQKSA-N	-1	0	225.244	1.350	40	30		BDEBRM
N#C[C@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575289	188277778	/nfs/dbraw/zinc/27/77/78/188277778.db2.gz	QTKKXJDUWHUMDJ-OUAUKWLOSA-N	-1	0	248.307	1.409	40	30		BDEBRM
CN(C)c1ccc(/C(=N\O)C(=O)[O-])cc1	ZINC000017380703	188280561	/nfs/dbraw/zinc/28/05/61/188280561.db2.gz	OAUSXRPIWRCJBI-PKNBQFBNSA-N	-1	0	208.217	1.016	40	30		BDEBRM
Cc1ccc(C)c([C@H](C#N)C(=O)C(=O)[O-])c1	ZINC000002035518	383947092	/nfs/dbraw/zinc/94/70/92/383947092.db2.gz	GBIBWCFHETWHQN-JTQLQIEISA-N	-1	0	217.224	1.564	40	30		BDEBRM
COc1cc(/C=N/OCC(=O)[O-])cc(OC)c1	ZINC000069054834	384029889	/nfs/dbraw/zinc/02/98/89/384029889.db2.gz	JJJOEAATIOKXAX-WUXMJOGZSA-N	-1	0	239.227	1.139	40	30		BDEBRM
COC(=O)c1ccccc1NN=C(C#N)C#N	ZINC000018126510	384499623	/nfs/dbraw/zinc/49/96/23/384499623.db2.gz	WUXGVDWNPKOHJX-CCEZHUSRSA-N	-1	0	228.211	1.973	40	30		BDEBRM
CCOc1ccccc1C(=O)CC(=O)C(=O)[O-]	ZINC000106679636	384926119	/nfs/dbraw/zinc/92/61/19/384926119.db2.gz	DLIZOJKGNUQSBF-YFHOEESVSA-N	-1	0	236.223	1.795	40	30		BDEBRM
Cc1nn(CC(C)C)c(C)c1C#CC(=O)[O-]	ZINC000072209908	385086545	/nfs/dbraw/zinc/08/65/45/385086545.db2.gz	BPUNCZVEBQZFGX-UHFFFAOYSA-N	-1	0	220.272	1.592	40	30		BDEBRM
CCS(=O)(=O)C/C(=N/[O-])c1ccccc1C	ZINC000096524464	385274684	/nfs/dbraw/zinc/27/46/84/385274684.db2.gz	JHQXEKLVFNGVRE-QXMHVHEDSA-N	-1	0	241.312	1.608	40	30		BDEBRM
CCc1c(C#N)c([S-])[nH]c(=S)c1C#N	ZINC000005847174	386286324	/nfs/dbraw/zinc/28/63/24/386286324.db2.gz	DGARLFVTBHMOEB-UHFFFAOYSA-N	-1	0	221.310	1.965	40	30		BDEBRM
N#Cc1cc(N2CCC(C(=O)[O-])CC2)ccn1	ZINC000061811388	132387181	/nfs/dbraw/zinc/38/71/81/132387181.db2.gz	ADKPIFNTZPKQHY-UHFFFAOYSA-N	-1	0	231.255	1.254	40	30		BDEBRM
COc1cccc(/C=N/OCC(=O)[O-])c1	ZINC000068892469	175241276	/nfs/dbraw/zinc/24/12/76/175241276.db2.gz	WWVUWKYYVOKNEN-IZZDOVSWSA-N	-1	0	209.201	1.130	40	30		BDEBRM
O=C([O-])/C(Cc1ccnc2ccccc12)=N/O	ZINC000008626764	491087081	/nfs/dbraw/zinc/08/70/81/491087081.db2.gz	RQUIQZCARLEUHE-SDNWHVSQSA-N	-1	0	230.223	1.692	40	30	in-vitro	BDEBRM
CC(C)=NOC(=O)c1ccccc1C(=O)[O-]	ZINC000006317806	342776160	/nfs/dbraw/zinc/77/61/60/342776160.db2.gz	ACTLNBMVYKBXFT-UHFFFAOYSA-N	-1	0	221.212	1.937	40	30		BDEBRM
Cc1ccsc1CN=Nc1nnn[n-]1	ZINC000013633656	346963065	/nfs/dbraw/zinc/96/30/65/346963065.db2.gz	AZVHNFWKXYZJCJ-XBXARRHUSA-N	-1	0	208.250	1.016	40	30		BDEBRM
CC(C)C(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000001613247	346459505	/nfs/dbraw/zinc/45/95/05/346459505.db2.gz	YWYSZMYFYSMUOM-UHFFFAOYSA-N	-1	0	227.285	1.988	40	30		BDEBRM
N#Cc1cc(N)c(C(=O)[O-])cc1Br	ZINC000169801048	181089383	/nfs/dbraw/zinc/08/93/83/181089383.db2.gz	NKOPJFXGOLFLRK-UHFFFAOYSA-N	-1	0	241.044	1.601	40	30		BDEBRM
N#Cc1cncc(Br)c1C(=O)[O-]	ZINC000217582743	181164127	/nfs/dbraw/zinc/16/41/27/181164127.db2.gz	ZLTPRKHZFWOKOU-UHFFFAOYSA-N	-1	0	227.017	1.414	40	30		BDEBRM
COc1cc(C[C@H](C#N)C(=O)[O-])cc(OC)c1	ZINC000016697652	355889843	/nfs/dbraw/zinc/88/98/43/355889843.db2.gz	DMZHAPCKOQXWAO-SECBINFHSA-N	-1	0	235.239	1.471	40	30		BDEBRM
COc1c(Cl)cc(C(=O)[O-])cc1C#N	ZINC000026508510	357158169	/nfs/dbraw/zinc/15/81/69/357158169.db2.gz	OCTTYRYINIDHGX-UHFFFAOYSA-N	-1	0	211.604	1.918	40	30		BDEBRM
CCOS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000001558121	383905530	/nfs/dbraw/zinc/90/55/30/383905530.db2.gz	NUYAVDLRVAIXLS-UHFFFAOYSA-N	-1	0	230.241	1.110	40	30		BDEBRM
CC(=O)c1c([O-])c2ccccc2[nH]c1=O	ZINC000117753192	384182113	/nfs/dbraw/zinc/18/21/13/384182113.db2.gz	UGOVOCGXGNCRCJ-RMKNXTFCSA-N	-1	0	203.197	1.653	40	30		BDEBRM
COC(=O)C([O-])=C(C#N)c1cccs1	ZINC000012357224	384314421	/nfs/dbraw/zinc/31/44/21/384314421.db2.gz	DSTQAOALXQBPJB-LURJTMIESA-N	-1	0	209.226	1.097	40	30		BDEBRM
O=[N+]([O-])c1ccc(/C=N\[O-])c([N+](=O)[O-])c1	ZINC000100024087	384611334	/nfs/dbraw/zinc/61/13/34/384611334.db2.gz	YVCGJBIQVLGPRJ-YWEYNIOJSA-N	-1	0	211.133	1.311	40	30		BDEBRM
CCC[C@H](O)CCC(=O)C1=C([O-])CCC1=O	ZINC000101176057	384666263	/nfs/dbraw/zinc/66/62/63/384666263.db2.gz	XELANFVNQQLZSI-QMMMGPOBSA-N	-1	0	226.272	1.672	40	30		BDEBRM
O=C([O-])/C(Cc1ccc([N+](=O)[O-])cc1)=N\O	ZINC000022910924	384778565	/nfs/dbraw/zinc/77/85/65/384778565.db2.gz	FDYHTQWURRLKGH-NTMALXAHSA-N	-1	0	224.172	1.052	40	30	in-vitro	BDEBRM
CC(=O)/C(=N/[O-])C(=O)OCc1ccccc1	ZINC000104063297	384798039	/nfs/dbraw/zinc/79/80/39/384798039.db2.gz	NUEOCDPXZSQJMD-BENRWUELSA-N	-1	0	221.212	1.149	40	30		BDEBRM
C=CCn1c(CCOC)ccc1C(=O)[O-]	ZINC000226030750	384925616	/nfs/dbraw/zinc/92/56/16/384925616.db2.gz	WOUGYQKOGQHCCL-UHFFFAOYSA-N	-1	0	209.245	1.561	40	30		BDEBRM
Cc1ccc(F)c(C(=O)C=C(O)C(=O)[O-])c1	ZINC000106679578	384926184	/nfs/dbraw/zinc/92/61/84/384926184.db2.gz	ZIPRXPPGVTZCCS-YHYXMXQVSA-N	-1	0	224.187	1.843	40	30		BDEBRM
C=CCn1c(CCC)nnc1SCC(=O)[O-]	ZINC000085397441	385161366	/nfs/dbraw/zinc/16/13/66/385161366.db2.gz	RCAVXCAONDTSPZ-UHFFFAOYSA-N	-1	0	241.316	1.593	40	30		BDEBRM
C/C(=N\[O-])c1nccc(C(F)(F)F)n1	ZINC000085397217	385161760	/nfs/dbraw/zinc/16/17/60/385161760.db2.gz	NESJBUSITYWOQE-YIXHJXPBSA-N	-1	0	205.139	1.694	40	30		BDEBRM
COc1c(C#N)cc(C(=O)[O-])cc1C#N	ZINC000026508612	174918042	/nfs/dbraw/zinc/91/80/42/174918042.db2.gz	YTGOMZFWOSYMLN-UHFFFAOYSA-N	-1	0	202.169	1.137	40	30		BDEBRM
COc1cc2c(cc1OC)C([O-])=CC(=O)C2=O	ZINC000004962995	175023924	/nfs/dbraw/zinc/02/39/24/175023924.db2.gz	BXXKPDIPOWURRS-UHFFFAOYSA-N	-1	0	234.207	1.525	40	30		BDEBRM
COc1ccc(OC)c([C@H](/C=N\[O-])OC)c1	ZINC000017061559	175168207	/nfs/dbraw/zinc/16/82/07/175168207.db2.gz	SOOFYWAERRTYCE-ZWIPKHHJSA-N	-1	0	225.244	1.851	40	30		BDEBRM
Cc1cc([O-])n(Nc2ccccc2)c(=O)c1C#N	ZINC000006069599	178200982	/nfs/dbraw/zinc/20/09/82/178200982.db2.gz	KVWONRVEOSFECU-UHFFFAOYSA-N	-1	0	241.250	1.609	40	30		BDEBRM
O=C([O-])c1cc(C#CCn2ccnc2)cs1	ZINC000585145177	344179944	/nfs/dbraw/zinc/17/99/44/344179944.db2.gz	GDHGIVHHJCCHIX-UHFFFAOYSA-N	-1	0	232.264	1.695	40	30		BDEBRM
Cn1c2ccccc2s/c1=N/N=C/C(=O)[O-]	ZINC000012912451	180605894	/nfs/dbraw/zinc/60/58/94/180605894.db2.gz	ZCLADCIJWYXODG-BFPRWLMKSA-N	-1	0	235.268	1.211	40	30		BDEBRM
CCOc1ccc(C[C@@H](C#N)C(=O)[O-])cc1	ZINC000019730244	352063367	/nfs/dbraw/zinc/06/33/67/352063367.db2.gz	VXBWRTRFBKMTJC-JTQLQIEISA-N	-1	0	219.240	1.852	40	30		BDEBRM
N#Cc1ccc(-n2cnc(C(=O)[O-])c2)cc1	ZINC000045949339	187779350	/nfs/dbraw/zinc/77/93/50/187779350.db2.gz	QUWHSQBPHSHPPU-UHFFFAOYSA-N	-1	0	213.196	1.442	40	30		BDEBRM
CCOc1c(O)ccc(/C=N/[O-])c1[N+](=O)[O-]	ZINC000002737795	353477294	/nfs/dbraw/zinc/47/72/94/353477294.db2.gz	YVZOECVZALIZPY-BJMVGYQFSA-N	-1	0	226.188	1.507	40	30		BDEBRM
N#Cc1cc(C(C#N)C#N)c([O-])cc1C(C#N)C#N	ZINC000006862773	181085126	/nfs/dbraw/zinc/08/51/26/181085126.db2.gz	RKMVNPCIPHHNMM-UHFFFAOYSA-N	-1	0	247.217	1.525	40	30		BDEBRM
C=CCNC(=S)Nc1ccccc1C(=O)[O-]	ZINC000205313436	166398045	/nfs/dbraw/zinc/39/80/45/166398045.db2.gz	IIKDPLUKDPUGQB-UHFFFAOYSA-N	-1	0	236.296	1.857	40	30		BDEBRM
CCCc1cc(COC)c(C#N)c(=O)[n-]1	ZINC000008602463	370336150	/nfs/dbraw/zinc/33/61/50/370336150.db2.gz	LDWHLYYIBAQNPG-UHFFFAOYSA-N	-1	0	206.245	1.345	40	30	in-vitro	BDEBRM
O=CC(=CNc1ccc(C(=O)[O-])cc1)[N+](=O)[O-]	ZINC000104157174	182563796	/nfs/dbraw/zinc/56/37/96/182563796.db2.gz	UOLZXAWDNSWALY-DGEPIGJSSA-N	-1	0	236.183	1.763	40	30		BDEBRM
C=CCOC(=O)c1cc2n[nH]nc2c(Cl)c1	ZINC000073633955	384025676	/nfs/dbraw/zinc/02/56/76/384025676.db2.gz	PNZFBXJYTUKALE-UHFFFAOYSA-N	-1	0	237.646	1.954	40	30		BDEBRM
Nc1nonc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000038163556	384077572	/nfs/dbraw/zinc/07/75/72/384077572.db2.gz	IWIXERFIRRZJOZ-NYYWCZLTSA-N	-1	0	249.186	1.016	40	30		BDEBRM
COC(=O)C([O-])=C(C#N)c1cccs1	ZINC000012357225	384313120	/nfs/dbraw/zinc/31/31/20/384313120.db2.gz	DSTQAOALXQBPJB-ZCFIWIBFSA-N	-1	0	209.226	1.097	40	30		BDEBRM
C[C@@H](Oc1ccc(C=NO)cc1)C(=O)[O-]	ZINC000408845243	385340327	/nfs/dbraw/zinc/34/03/27/385340327.db2.gz	LRBVOAIPBJCBTD-SSDOTTSWSA-N	-1	0	209.201	1.347	40	30		BDEBRM
C=C1C(C)(C)[C@@]2(C(=O)[O-])CC[C@]1(C(N)=O)C2	ZINC000026441732	387024567	/nfs/dbraw/zinc/02/45/67/387024567.db2.gz	UEWSBSSBTWURBG-RYUDHWBXSA-N	-1	0	223.272	1.309	40	30		BDEBRM
CO/N=C1\C[C@H](C(=O)[O-])Oc2ccc(F)cc21	ZINC000217604520	388377830	/nfs/dbraw/zinc/37/78/30/388377830.db2.gz	VPZFNIFMPOBBQL-SEEODLKFSA-N	-1	0	239.202	1.412	40	30		BDEBRM
C=CCOc1cc(C(=O)[O-])cc2c1CCO2	ZINC000218820821	388392499	/nfs/dbraw/zinc/39/24/99/388392499.db2.gz	UQKNCSZWOQYWEB-UHFFFAOYSA-N	-1	0	220.224	1.885	40	30		BDEBRM
N#Cc1cc(O)c([O-])c(Br)c1	ZINC000225720604	388843058	/nfs/dbraw/zinc/84/30/58/388843058.db2.gz	XDDZGFVFCNKJLT-UHFFFAOYSA-N	-1	0	214.018	1.732	40	30		BDEBRM
COc1ccc2c(c1)c(CC#N)cn2CC(=O)[O-]	ZINC000503893990	533305937	/nfs/dbraw/zinc/30/59/37/533305937.db2.gz	DTVJEHKMAYWACA-UHFFFAOYSA-N	-1	0	244.250	1.801	40	30		BDEBRM
CCOC(=O)/C(=N/[O-])c1ccccc1[N+](=O)[O-]	ZINC000034082338	134161442	/nfs/dbraw/zinc/16/14/42/134161442.db2.gz	RLNHFZRONMGHIH-PKNBQFBNSA-N	-1	0	238.199	1.336	40	30		BDEBRM
CCOC(=O)c1c[n-]c2ccc(C#N)cc2c1=O	ZINC000038844855	170302414	/nfs/dbraw/zinc/30/24/14/170302414.db2.gz	DRNLVFZCTWSAOW-UHFFFAOYSA-N	-1	0	242.234	1.989	40	30		BDEBRM
COc1ccc(/C=C/C(=O)[O-])c(C#N)c1	ZINC000039218351	175047146	/nfs/dbraw/zinc/04/71/46/175047146.db2.gz	YWQPOGXXWTVVQY-HWKANZROSA-N	-1	0	203.197	1.665	40	30		BDEBRM
COc1ccc(/C=N/OCC(=O)[O-])cc1OC	ZINC000005661857	175049084	/nfs/dbraw/zinc/04/90/84/175049084.db2.gz	CDZYLSIKUXZYHK-WUXMJOGZSA-N	-1	0	239.227	1.139	40	30		BDEBRM
COc1ccc(C[C@H](C#N)C(=O)[O-])c(OC)c1	ZINC000019730257	175116573	/nfs/dbraw/zinc/11/65/73/175116573.db2.gz	LASCFJMMMNJZQW-SECBINFHSA-N	-1	0	235.239	1.471	40	30		BDEBRM
COc1cc(/C(Cl)=N/[O-])ccc1O	ZINC000228914044	521922673	/nfs/dbraw/zinc/92/26/73/521922673.db2.gz	BGOCCYKFRLZEJT-NTMALXAHSA-N	-1	0	201.609	1.775	40	30		BDEBRM
CC(C)(C)c1csc(C(=N[O-])C(N)=O)n1	ZINC000379697180	343133474	/nfs/dbraw/zinc/13/34/74/343133474.db2.gz	VFSXWADOIYVJJI-UHFFFAOYSA-N	-1	0	227.289	1.104	40	30		BDEBRM
O=C([O-])c1c[nH]cc(-c2ccc(F)cc2)c1=O	ZINC000584906594	343716884	/nfs/dbraw/zinc/71/68/84/343716884.db2.gz	SWTXUBRXOXPDLW-SNVBAGLBSA-N	-1	0	233.198	1.521	40	30		BDEBRM
O=C([O-])c1ccccc1C#CCCCO	ZINC000585144882	343879970	/nfs/dbraw/zinc/87/99/70/343879970.db2.gz	LRUJJLBLFVEPTI-UHFFFAOYSA-N	-1	0	204.225	1.509	40	30		BDEBRM
O=C([O-])c1cc(C#CCN2CCCC2=O)cs1	ZINC000585145206	344179991	/nfs/dbraw/zinc/17/99/91/344179991.db2.gz	HTGHQNBTGRDXOC-UHFFFAOYSA-N	-1	0	249.291	1.420	40	30		BDEBRM
Cc1ccc(O)c(C(=O)/C=C/C(=O)[O-])c1	ZINC000005542024	346622948	/nfs/dbraw/zinc/62/29/48/346622948.db2.gz	DXFVUDLTRQWOSQ-SNAWJCMRSA-N	-1	0	206.197	1.524	40	30		BDEBRM
CC1(C)[C@@H]2CC[C@@]1(C)C(O)=C2C(=O)C(=O)[O-]	ZINC000016778832	362931382	/nfs/dbraw/zinc/93/13/82/362931382.db2.gz	ILLBDUDUKPLSTP-VAPHEVMYSA-N	-1	0	224.256	1.908	40	30		BDEBRM
Cc1nc(SCC#N)c(C(=O)[O-])s1	ZINC000218308557	180029236	/nfs/dbraw/zinc/02/92/36/180029236.db2.gz	FAPCLBXUUHFOIA-UHFFFAOYSA-N	-1	0	214.271	1.765	40	30		BDEBRM
CCn1ncc(C#CC(=O)[O-])c1C1CC1	ZINC000072339652	188580489	/nfs/dbraw/zinc/58/04/89/188580489.db2.gz	IMTYQJOMPNJKMU-UHFFFAOYSA-N	-1	0	204.229	1.217	40	30		BDEBRM
N#Cc1c2c([nH]c(=O)c1C(=O)[O-])CCCCC2	ZINC000078549811	181078894	/nfs/dbraw/zinc/07/88/94/181078894.db2.gz	SVKTUSYVPGHCFH-UHFFFAOYSA-N	-1	0	232.239	1.214	40	30		BDEBRM
C[C@@H](CCC#CC(=O)[O-])O[C@H]1CCCCO1	ZINC000001642764	355909682	/nfs/dbraw/zinc/90/96/82/355909682.db2.gz	FPHLQDZWQSLPMK-JQWIXIFHSA-N	-1	0	226.272	1.786	40	30		BDEBRM
CN(C)c1ccc(/C(=N/O)C(=O)[O-])cc1	ZINC000001667944	383918336	/nfs/dbraw/zinc/91/83/36/383918336.db2.gz	OAUSXRPIWRCJBI-LUAWRHEFSA-N	-1	0	208.217	1.016	40	30		BDEBRM
Cc1[n-]c(=O)c(C#N)c(C(F)(F)F)c1[N+](=O)[O-]	ZINC000004360889	384332347	/nfs/dbraw/zinc/33/23/47/384332347.db2.gz	VBZATTIMIASLRS-UHFFFAOYSA-N	-1	0	247.132	1.894	40	30		BDEBRM
N#Cc1c2ccccc2ccc1S(=O)(=O)[O-]	ZINC000071256882	384747276	/nfs/dbraw/zinc/74/72/76/384747276.db2.gz	ONUTVURHFSOAFS-UHFFFAOYSA-N	-1	0	233.248	1.958	40	30		BDEBRM
COc1ccc(NC(=O)/C=N\[O-])c(Cl)c1	ZINC000104359238	384823395	/nfs/dbraw/zinc/82/33/95/384823395.db2.gz	GRSYEABXQWAIBV-WZUFQYTHSA-N	-1	0	228.635	1.747	40	30		BDEBRM
COC(=O)CC1=Nc2scc([O-])c2[C@H](C)C1	ZINC000104223314	384814815	/nfs/dbraw/zinc/81/48/15/384814815.db2.gz	RZMDAJDYPOWCRZ-CDXJMXTPSA-N	-1	0	239.296	1.200	40	30		BDEBRM
Cc1nn(C(C)C)c(C)c1C#CC(=O)[O-]	ZINC000072209903	385086800	/nfs/dbraw/zinc/08/68/00/385086800.db2.gz	XSXFTCLOPNSKDI-UHFFFAOYSA-N	-1	0	206.245	1.517	40	30		BDEBRM
C=CCn1cc(C(=O)[O-])c(Br)n1	ZINC000085392308	385156214	/nfs/dbraw/zinc/15/62/14/385156214.db2.gz	INDSDSVREWDMBI-UHFFFAOYSA-N	-1	0	231.049	1.530	40	30		BDEBRM
O=C([O-])C(=O)/C=C\c1cccc([N+](=O)[O-])c1	ZINC000016980368	385287306	/nfs/dbraw/zinc/28/73/06/385287306.db2.gz	ZFLQRNNAXIJMSS-PLNGDYQASA-N	-1	0	221.168	1.262	40	30		BDEBRM
NC(=O)COc1ccc(Cl)cc1/C=N/[O-]	ZINC000409227186	385516008	/nfs/dbraw/zinc/51/60/08/385516008.db2.gz	TXCMGHVDXHQCNW-UUILKARUSA-N	-1	0	228.635	1.012	40	30		BDEBRM
C[C@H](/C(=N/[O-])c1ccccc1)N1CC[C@H](O)O1	ZINC000102861407	387356352	/nfs/dbraw/zinc/35/63/52/387356352.db2.gz	IYWNAOSGSFKBIF-UOARKACSSA-N	-1	0	236.271	1.209	40	30		BDEBRM
O=C([O-])C#Cc1nc(C(F)(F)F)cs1	ZINC000218732592	388391981	/nfs/dbraw/zinc/39/19/81/388391981.db2.gz	BGBFBAPAHYOSIB-UHFFFAOYSA-N	-1	0	221.159	1.598	40	30		BDEBRM
CC1(C)C/C(=N/O)C[C@](C)(S(=O)(=O)[O-])C1	ZINC000005734316	167881999	/nfs/dbraw/zinc/88/19/99/167881999.db2.gz	QXCBQYMBVRDFTF-CBFJXKFUSA-N	-1	0	235.305	1.673	40	30		BDEBRM
CCn1c(=O)c(/C=N/O)c([O-])c2ccccc21	ZINC000100192974	172132382	/nfs/dbraw/zinc/13/23/82/172132382.db2.gz	KHBNXTSEHQDEOR-NTUHNPAUSA-N	-1	0	232.239	1.535	40	30		BDEBRM
Cc1nc(N[C@@H]2CCC[C@@H]2C(=O)[O-])ccc1C#N	ZINC000311232337	711682872	/nfs/dbraw/zinc/68/28/72/711682872.db2.gz	LCFLWTXYJHWGFG-WDEREUQCSA-N	-1	0	245.282	1.927	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccc(F)cc1	ZINC000000258404	342681302	/nfs/dbraw/zinc/68/13/02/342681302.db2.gz	OGYAEXJXCNPJOH-VIFPVBQESA-N	-1	0	221.187	1.321	40	30		BDEBRM
CC(=O)C1=C([O-])C(=Cc2ccccc2)NC1=O	ZINC000004771978	342751829	/nfs/dbraw/zinc/75/18/29/342751829.db2.gz	MFLUAQHOSAZYSB-YFHOEESVSA-N	-1	0	229.235	1.558	40	30		BDEBRM
N#C[C@H](Cc1c(F)cccc1F)C(=O)[O-]	ZINC000585656306	345468642	/nfs/dbraw/zinc/46/86/42/345468642.db2.gz	CJVGYPIQMUITHT-LURJTMIESA-N	-1	0	211.167	1.732	40	30		BDEBRM
C=CCc1cc(C=O)ccc1OCC(=O)[O-]	ZINC000006856327	188520032	/nfs/dbraw/zinc/52/00/32/188520032.db2.gz	JHTZLTSWFINVPW-UHFFFAOYSA-N	-1	0	220.224	1.691	40	30		BDEBRM
Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=N/[O-]	ZINC000012444967	370876751	/nfs/dbraw/zinc/87/67/51/370876751.db2.gz	MMAPNSMANRYQBT-JLHYYAGUSA-N	-1	0	245.190	1.199	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1Cl	ZINC000100947320	384364931	/nfs/dbraw/zinc/36/49/31/384364931.db2.gz	VABLOMCQMPAAPU-QMMMGPOBSA-N	-1	0	237.642	1.835	40	30		BDEBRM
COC(=O)CC1=Nc2scc([O-])c2[C@@H](C)C1	ZINC000104223320	384813703	/nfs/dbraw/zinc/81/37/03/384813703.db2.gz	RZMDAJDYPOWCRZ-PDKRUMACSA-N	-1	0	239.296	1.200	40	30		BDEBRM
CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N([O-])C(=O)[C@H]12	ZINC000253595892	385687045	/nfs/dbraw/zinc/68/70/45/385687045.db2.gz	KEUDCDGBJILYHA-TXFQPVFDSA-N	-1	0	249.310	1.989	40	30		BDEBRM
N#Cc1nn(-c2ccccc2)nc1/C=C/C(=O)[O-]	ZINC000000369518	386056677	/nfs/dbraw/zinc/05/66/77/386056677.db2.gz	VSTBEMGLFFTZEA-VOTSOKGWSA-N	-1	0	240.222	1.237	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000226102125	386235588	/nfs/dbraw/zinc/23/55/88/386235588.db2.gz	HSQGFYAZRNOIEC-VIFPVBQESA-N	-1	0	221.187	1.321	40	30		BDEBRM
C[C@@]1(CCC(=O)[O-])[C@H]2CC[C@]1(C)/C(=N/N)C2	ZINC000225603819	388839404	/nfs/dbraw/zinc/83/94/04/388839404.db2.gz	WWAVABRYZCOUEX-UBPOHEGBSA-N	-1	0	224.304	1.992	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(F)c1	ZINC000226102133	173762741	/nfs/dbraw/zinc/76/27/41/173762741.db2.gz	HSQGFYAZRNOIEC-SECBINFHSA-N	-1	0	221.187	1.321	40	30		BDEBRM
COc1ccc(C(=O)CC(=O)C(=O)[O-])c(C)c1	ZINC000106679702	175051877	/nfs/dbraw/zinc/05/18/77/175051877.db2.gz	JVRMNXGSMKVROP-WDZFZDKYSA-N	-1	0	236.223	1.713	40	30		BDEBRM
COc1ccc(C[C@@H](C#N)C(=O)[O-])cc1OC	ZINC000016697630	175115117	/nfs/dbraw/zinc/11/51/17/175115117.db2.gz	KKZDZTIKRNEPQG-VIFPVBQESA-N	-1	0	235.239	1.471	40	30		BDEBRM
O=C([O-])c1ccc(C#CCn2cccn2)nc1	ZINC000585144944	343880425	/nfs/dbraw/zinc/88/04/25/343880425.db2.gz	BEHYYYQJHMVHPF-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
O=C([O-])/C=C\C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000168695338	346741147	/nfs/dbraw/zinc/74/11/47/346741147.db2.gz	XBGYVGSMVMQCQH-WAYWQWQTSA-N	-1	0	221.168	1.418	40	30		BDEBRM
N#CCn1ccc2ccc(C(=O)[O-])cc21	ZINC000002541454	181051938	/nfs/dbraw/zinc/05/19/38/181051938.db2.gz	HOZVCQVCRNSXNF-UHFFFAOYSA-N	-1	0	200.197	1.863	40	30		BDEBRM
N#C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000006512684	181062860	/nfs/dbraw/zinc/06/28/60/181062860.db2.gz	JHRNZUKOUPPCRV-QMMMGPOBSA-N	-1	0	206.157	1.287	40	30		BDEBRM
N#Cc1oc(C(=O)[O-])cc1Br	ZINC000085395531	181178001	/nfs/dbraw/zinc/17/80/01/181178001.db2.gz	HTPWZMHBKNNFDA-UHFFFAOYSA-N	-1	0	215.990	1.612	40	30		BDEBRM
C=CCNc1nn(-c2ccccc2)nc1C(=O)[O-]	ZINC000256048565	359338773	/nfs/dbraw/zinc/33/87/73/359338773.db2.gz	UKZRPNDDOPVVHQ-UHFFFAOYSA-N	-1	0	244.254	1.563	40	30		BDEBRM
O=C([O-])C[C@H](C(=O)[O-])[n+]1ccc2ccccc2c1	ZINC000003921349	182482012	/nfs/dbraw/zinc/48/20/12/182482012.db2.gz	OSLAYRYGZWZBKP-LLVKDONJSA-O	-1	0	246.242	1.228	40	30		BDEBRM
O=C([O-])C=NNc1ccccc1[N+](=O)[O-]	ZINC000016450237	384455251	/nfs/dbraw/zinc/45/52/51/384455251.db2.gz	BWMOCWXHOIBAPE-WEVVVXLNSA-N	-1	0	209.161	1.077	40	30		BDEBRM
C#CCOc1c(C)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000225279728	384835150	/nfs/dbraw/zinc/83/51/50/384835150.db2.gz	UKQOQDGPMIBSGX-UHFFFAOYSA-N	-1	0	235.195	1.613	40	30		BDEBRM
CCOc1ccc(C(=O)CC(=O)C(=O)[O-])cc1	ZINC000106679695	384925442	/nfs/dbraw/zinc/92/54/42/384925442.db2.gz	BBAMNAUXOXXPOS-XFFZJAGNSA-N	-1	0	236.223	1.795	40	30		BDEBRM
[O-]/N=C1/CCCn2c1nnc2C(F)(F)F	ZINC000096509917	385246029	/nfs/dbraw/zinc/24/60/29/385246029.db2.gz	IWIZYJQPOZIIMQ-PQMHYQBVSA-N	-1	0	220.154	1.269	40	30		BDEBRM
C=C(Cl)Cn1cc(/C=C/C(=O)[O-])cn1	ZINC000096528140	385275683	/nfs/dbraw/zinc/27/56/83/385275683.db2.gz	MECYQMCYSGUYTH-NSCUHMNNSA-N	-1	0	212.636	1.733	40	30		BDEBRM
CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N([O-])C(=O)[C@H]12	ZINC000253595893	385686878	/nfs/dbraw/zinc/68/68/78/385686878.db2.gz	KEUDCDGBJILYHA-XXSPCDMZSA-N	-1	0	249.310	1.989	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000226102228	386235255	/nfs/dbraw/zinc/23/52/55/386235255.db2.gz	UEQSSFMNHCXCCW-SECBINFHSA-N	-1	0	248.194	1.090	40	30		BDEBRM
Cc1c(Br)cc(C#N)n1CC(=O)[O-]	ZINC000078405588	388680694	/nfs/dbraw/zinc/68/06/94/388680694.db2.gz	HVNWDSVNKIDVMT-UHFFFAOYSA-N	-1	0	243.060	1.515	40	30		BDEBRM
CCCCN1c2ccccc2C(=O)/C(=N\[O-])C1=O	ZINC000006757181	132318330	/nfs/dbraw/zinc/31/83/30/132318330.db2.gz	YIDPFNFHYOWHRD-SDNWHVSQSA-N	-1	0	246.266	1.846	40	30		BDEBRM
CC[C@H](Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000013609260	409919293	/nfs/dbraw/zinc/91/92/93/409919293.db2.gz	GZCMZWXXAXPCOG-JTQLQIEISA-N	-1	0	205.213	1.800	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1cccc(OC)c1	ZINC000226102192	173665740	/nfs/dbraw/zinc/66/57/40/173665740.db2.gz	NOOARSCDVWIQCI-JTQLQIEISA-N	-1	0	233.223	1.191	40	30		BDEBRM
COc1ccc(/C=C\C(=O)C(=O)[O-])cc1	ZINC000004743817	175048411	/nfs/dbraw/zinc/04/84/11/175048411.db2.gz	SHVBLFWLPMOIIO-DAXSKMNVSA-N	-1	0	206.197	1.362	40	30		BDEBRM
COc1ccc(C=Nc2nc(C(=O)[O-])n[nH]2)cc1	ZINC000005513485	175049325	/nfs/dbraw/zinc/04/93/25/175049325.db2.gz	BBMSHJQYHPDYSK-WUXMJOGZSA-N	-1	0	246.226	1.262	40	30		BDEBRM
COc1ccc(C#CC(=O)[O-])c(OC)c1	ZINC000001706036	175051425	/nfs/dbraw/zinc/05/14/25/175051425.db2.gz	XNZOFKVGVSEHPS-UHFFFAOYSA-N	-1	0	206.197	1.140	40	30		BDEBRM
COc1ccc(C)cc1C(=O)CC(=O)C(=O)[O-]	ZINC000106679650	175073168	/nfs/dbraw/zinc/07/31/68/175073168.db2.gz	GWZKGPADUMRISB-POHAHGRESA-N	-1	0	236.223	1.713	40	30		BDEBRM
[O-]N=C1CCCc2c1nn(-c1ccccc1)[n+]2[O-]	ZINC000256016999	526391126	/nfs/dbraw/zinc/39/11/26/526391126.db2.gz	ZYNLIBFRCCLRLW-UHFFFAOYSA-N	-1	0	244.254	1.020	40	30		BDEBRM
O=[N+]([O-])c1ccc(C(Cl)=N[O-])cc1	ZINC000254404259	527346929	/nfs/dbraw/zinc/34/69/29/527346929.db2.gz	PIQHICJFBSZFMS-UHFFFAOYSA-N	-1	0	200.581	1.969	40	30		BDEBRM
O=[N+]([O-])c1ccccc1C(Cl)=N[O-]	ZINC000256081544	527397626	/nfs/dbraw/zinc/39/76/26/527397626.db2.gz	SQHJGNRLAWHRNE-UHFFFAOYSA-N	-1	0	200.581	1.969	40	30		BDEBRM
N#C[C@H](c1ccccc1)[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000005575291	342766457	/nfs/dbraw/zinc/76/64/57/342766457.db2.gz	QTKKXJDUWHUMDJ-VWYCJHECSA-N	-1	0	248.307	1.409	40	30		BDEBRM
O=C([O-])c1cncc(C#CCn2cccn2)c1	ZINC000585145223	344179883	/nfs/dbraw/zinc/17/98/83/344179883.db2.gz	IKLMAYPTLJFODM-UHFFFAOYSA-N	-1	0	227.223	1.028	40	30		BDEBRM
C=CCn1c(Cn2ccnc2)ccc1C(=O)[O-]	ZINC000078404705	192370879	/nfs/dbraw/zinc/37/08/79/192370879.db2.gz	JAAUFJGNJJHZCK-UHFFFAOYSA-N	-1	0	231.255	1.617	40	30		BDEBRM
N#Cc1c(N)sc2c1C[C@H](C(=O)[O-])C2	ZINC000217899754	181078286	/nfs/dbraw/zinc/07/82/86/181078286.db2.gz	TZPXGRASTBADTA-BYPYZUCNSA-N	-1	0	208.242	1.001	40	30		BDEBRM
N#Cc1cccc(N2CCC[C@H]2C(=O)[O-])c1	ZINC000026896446	181138828	/nfs/dbraw/zinc/13/88/28/181138828.db2.gz	GUPLOEBMJRWMEE-NSHDSACASA-N	-1	0	216.240	1.612	40	30		BDEBRM
CCn1cc(C#CC(=O)[O-])c(C2CC2)n1	ZINC000072339650	205849001	/nfs/dbraw/zinc/84/90/01/205849001.db2.gz	ILAHQFMHCMXWNV-UHFFFAOYSA-N	-1	0	204.229	1.217	40	30		BDEBRM
CCCCCCCCc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000001598239	383910114	/nfs/dbraw/zinc/91/01/14/383910114.db2.gz	GLNANLFCPOATHP-UHFFFAOYSA-N	-1	0	240.303	1.719	40	30		BDEBRM
CC1(C)[C@H]2C[C@@H]1C(=O)C=C2/C=N/OCC(=O)[O-]	ZINC000001651737	383917927	/nfs/dbraw/zinc/91/79/27/383917927.db2.gz	SBBOGLWDNWHTEZ-KSRDGVFHSA-N	-1	0	237.255	1.245	40	30		BDEBRM
O=C1[C@H]2CCCC3CCC[C@H](C(=O)N1[O-])C32	ZINC000001735544	383933792	/nfs/dbraw/zinc/93/37/92/383933792.db2.gz	QFTIVHUUCAVAQP-ZNHWEVIXSA-N	-1	0	223.272	1.577	40	30		BDEBRM
C=C(Cl)COc1c(CC(=O)[O-])cnn1C	ZINC000072226178	384254271	/nfs/dbraw/zinc/25/42/71/384254271.db2.gz	MFPCPQSWGOWRMA-UHFFFAOYSA-N	-1	0	230.651	1.179	40	30		BDEBRM
C[C@]12CC[C@H](C/C1=N\N)[C@@]2(C)CC(=O)[O-]	ZINC000217614681	385888092	/nfs/dbraw/zinc/88/80/92/385888092.db2.gz	LQAONRUOCAOQEY-GTKIXJIOSA-N	-1	0	210.277	1.602	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1OC	ZINC000226102163	386235030	/nfs/dbraw/zinc/23/50/30/386235030.db2.gz	QOMVVHQEWCXPGZ-SECBINFHSA-N	-1	0	233.223	1.191	40	30		BDEBRM
C=CCn1c(CC)nnc1SCC(=O)[O-]	ZINC000004294296	386780624	/nfs/dbraw/zinc/78/06/24/386780624.db2.gz	CACOUVJHTRANAQ-UHFFFAOYSA-N	-1	0	227.289	1.203	40	30		BDEBRM
Cn1cc(C=NNc2ccc(C(=O)[O-])cc2)cn1	ZINC000013087003	388727216	/nfs/dbraw/zinc/72/72/16/388727216.db2.gz	RSAJMTXJJQEDBT-AWNIVKPZSA-N	-1	0	244.254	1.564	40	30		BDEBRM
COc1ccc(/C(=N\[O-])C(C)=O)cc1OC	ZINC000104160732	175045466	/nfs/dbraw/zinc/04/54/66/175045466.db2.gz	VTZUTXOYHXRDHA-QXMHVHEDSA-N	-1	0	223.228	1.471	40	30		BDEBRM
COc1ccc(/C=N/[O-])c(OC)c1OC	ZINC000100301451	175048799	/nfs/dbraw/zinc/04/87/99/175048799.db2.gz	ZWGRTKBQWHZYFL-IZZDOVSWSA-N	-1	0	211.217	1.521	40	30		BDEBRM
COc1ccc(C[C@H](C#N)C(=O)[O-])cc1	ZINC000016697656	175116348	/nfs/dbraw/zinc/11/63/48/175116348.db2.gz	QILGOCXNADJVBY-SECBINFHSA-N	-1	0	205.213	1.462	40	30		BDEBRM
COc1ccc(OC)c(C[C@H](C#N)C(=O)[O-])c1	ZINC000019730255	175166098	/nfs/dbraw/zinc/16/60/98/175166098.db2.gz	NZZIPZRDXHRVHA-SECBINFHSA-N	-1	0	235.239	1.471	40	30		BDEBRM
COc1cccc(/C=N/[O-])c1OC(C)=O	ZINC000216770896	175241636	/nfs/dbraw/zinc/24/16/36/175241636.db2.gz	UYXYFOXLBYLUMQ-IZZDOVSWSA-N	-1	0	209.201	1.429	40	30		BDEBRM
C#CCC(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC001560406070	991469520	/nfs/dbraw/zinc/46/95/20/991469520.db2.gz	KLFOXMBNCCJLQJ-UHFFFAOYSA-N	-1	0	212.225	1.151	40	30		BDEBRM
CCCCCCC[C@](C)(NC(N)=O)C(=O)[O-]	ZINC000002048194	342715585	/nfs/dbraw/zinc/71/55/85/342715585.db2.gz	UVMFFBCBXJKVKR-NSHDSACASA-N	-1	0	230.308	1.859	40	30		BDEBRM
[O-]C([C@@H]1CO1)(C(F)(F)F)C(F)(F)F	ZINC000005124879	342758825	/nfs/dbraw/zinc/75/88/25/342758825.db2.gz	OSJJWQKQQXJRGW-REOHCLBHSA-N	-1	0	210.073	1.241	40	30		BDEBRM
CC(C)(C)OC(=O)N[C@H](CCS)C(=O)[O-]	ZINC000118082880	259351484	/nfs/dbraw/zinc/35/14/84/259351484.db2.gz	PQADCRYOPOVXDV-ZCFIWIBFSA-N	-1	0	235.305	1.284	40	30		BDEBRM
C=CCCCn1cc(/C=C/C(=O)[O-])cn1	ZINC000575623428	343876387	/nfs/dbraw/zinc/87/63/87/343876387.db2.gz	QMGVXNLYRCAWMK-AATRIKPKSA-N	-1	0	206.245	1.947	40	30		BDEBRM
N#C[C@@H](Cc1cc([N+](=O)[O-])ccc1F)C(=O)[O-]	ZINC000585656327	345468582	/nfs/dbraw/zinc/46/85/82/345468582.db2.gz	QZJYFUIZRSGDHR-SSDOTTSWSA-N	-1	0	238.174	1.501	40	30		BDEBRM
Cc1n[n-]c(N/N=C/c2ccccc2F)nc1=O	ZINC000006565165	179835512	/nfs/dbraw/zinc/83/55/12/179835512.db2.gz	FIILXISPDZVPEM-AWNIVKPZSA-N	-1	0	247.233	1.058	40	30		BDEBRM
N#CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[n-]1	ZINC000227149471	181049759	/nfs/dbraw/zinc/04/97/59/181049759.db2.gz	RZCBPGSKEPOKJG-UHFFFAOYSA-N	-1	0	247.170	1.445	40	30		BDEBRM
N#Cc1c(N)n(-c2ccccc2)nc1C(=O)[O-]	ZINC000035572003	181072999	/nfs/dbraw/zinc/07/29/99/181072999.db2.gz	XYHLZNGGMFETLT-UHFFFAOYSA-N	-1	0	228.211	1.024	40	30		BDEBRM
COc1ccc(NC(=O)/C(=N/[O-])C(C)=O)cc1	ZINC000016957382	384113789	/nfs/dbraw/zinc/11/37/89/384113789.db2.gz	VUICOSUQFXRPIF-JLHYYAGUSA-N	-1	0	236.227	1.053	40	30		BDEBRM
COC(=C/N=N\c1nc(C#N)c(C#N)[n-]1)OC	ZINC000017196771	388411711	/nfs/dbraw/zinc/41/17/11/388411711.db2.gz	PWADGSXOTUQTER-QINSGFPZSA-N	-1	0	232.203	1.328	40	30		BDEBRM
C[C@@]12CC[C@@H](C/C1=N\N)[C@]2(C)CC(=O)[O-]	ZINC000252515564	388653832	/nfs/dbraw/zinc/65/38/32/388653832.db2.gz	LQAONRUOCAOQEY-HVQQQAMDSA-N	-1	0	210.277	1.602	40	30		BDEBRM
COc1ccc(/C(=N/[O-])C(C)(C)O)cc1	ZINC000100338120	175045991	/nfs/dbraw/zinc/04/59/91/175045991.db2.gz	CGEZMFBKMHEEFA-BENRWUELSA-N	-1	0	209.245	1.644	40	30		BDEBRM
C[C@@H]1CCCC(C)(C)[C@@]1(O)C#CC(=O)[O-]	ZINC000001599883	176062412	/nfs/dbraw/zinc/06/24/12/176062412.db2.gz	CLECYQRDJATPOF-BXKDBHETSA-N	-1	0	210.273	1.652	40	30		BDEBRM
COc1ccc(C=N[O-])c(OC)c1OC	ZINC000252370184	523883938	/nfs/dbraw/zinc/88/39/38/523883938.db2.gz	ZWGRTKBQWHZYFL-UHFFFAOYSA-N	-1	0	211.217	1.521	40	30		BDEBRM
N#CCC(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000228941455	526443421	/nfs/dbraw/zinc/44/34/21/526443421.db2.gz	CDHJQBNIKKLXNS-UHFFFAOYSA-N	-1	0	206.157	1.397	40	30		BDEBRM
CCCc1ccc(/C(=N/O)C(=O)[O-])s1	ZINC000000054864	398145889	/nfs/dbraw/zinc/14/58/89/398145889.db2.gz	WIOYNBRVJPRJJE-NTMALXAHSA-N	-1	0	213.258	1.964	40	30		BDEBRM
O=CC(=CNc1ccc(C(=O)[O-])cc1)[N+](=O)[O-]	ZINC000104157180	398323763	/nfs/dbraw/zinc/32/37/63/398323763.db2.gz	UOLZXAWDNSWALY-JBBYZQPISA-N	-1	0	236.183	1.763	40	30		BDEBRM
C=CCn1nnc2cc(C(=O)[O-])ccc21	ZINC000013681552	343623558	/nfs/dbraw/zinc/62/35/58/343623558.db2.gz	KUSMQSQTUIKHBO-UHFFFAOYSA-N	-1	0	203.201	1.316	40	30		BDEBRM
Cc1ccccc1/C(CS(C)(=O)=O)=N\[O-]	ZINC000096524446	179243609	/nfs/dbraw/zinc/24/36/09/179243609.db2.gz	ISQROZSZBDMGHU-KHPPLWFESA-N	-1	0	227.285	1.218	40	30		BDEBRM
CC(C)(C)c1csc(/C(=N\[O-])C(N)=O)n1	ZINC000005592208	187759090	/nfs/dbraw/zinc/75/90/90/187759090.db2.gz	VFSXWADOIYVJJI-SDQBBNPISA-N	-1	0	227.289	1.104	40	30		BDEBRM
CC(=O)C(C(=O)[O-])=C1SCCS1	ZINC000038234967	384078896	/nfs/dbraw/zinc/07/88/96/384078896.db2.gz	YBESZPJHBPQWGN-UHFFFAOYSA-N	-1	0	204.272	1.352	40	30		BDEBRM
CC1(C)[C@H]2CC[C@]1(C)C(O)=C2C(=O)C(=O)[O-]	ZINC000100746664	384654785	/nfs/dbraw/zinc/65/47/85/384654785.db2.gz	ILLBDUDUKPLSTP-JPEIRLHNSA-N	-1	0	224.256	1.908	40	30		BDEBRM
CN(C)[C@](C#N)(CCC(=O)[O-])c1ccccc1	ZINC000072210162	385064123	/nfs/dbraw/zinc/06/41/23/385064123.db2.gz	GXSWGXNCKIKECL-ZDUSSCGKSA-N	-1	0	232.283	1.832	40	30		BDEBRM
CC(=O)C(C(=O)[O-])=C1SCCCS1	ZINC000034638908	386035612	/nfs/dbraw/zinc/03/56/12/386035612.db2.gz	UZUCFOJNBZYGLO-UHFFFAOYSA-N	-1	0	218.299	1.742	40	30		BDEBRM
COC(=O)C(C#N)=C([O-])c1ccccc1F	ZINC000226102111	386235404	/nfs/dbraw/zinc/23/54/04/386235404.db2.gz	KKCYARBCCTTWPY-MRVPVSSYSA-N	-1	0	221.187	1.321	40	30		BDEBRM
O=C([O-])C#Cc1ccc(Br)o1	ZINC000001737464	386647525	/nfs/dbraw/zinc/64/75/25/386647525.db2.gz	VRVWEWVACGMYNL-UHFFFAOYSA-N	-1	0	215.002	1.478	40	30		BDEBRM
C=CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000026893726	387027483	/nfs/dbraw/zinc/02/74/83/387027483.db2.gz	XVMAKOPYGXUPPU-LLVKDONJSA-N	-1	0	229.276	1.931	40	30		BDEBRM
C[C@@H](CC(=O)[O-])NC(=O)c1ccc(CC#N)cc1	ZINC000262081920	135114448	/nfs/dbraw/zinc/11/44/48/135114448.db2.gz	KIJDBSBBCXJRME-VIFPVBQESA-N	-1	0	246.266	1.346	40	30		BDEBRM
CC[C@@H](Oc1ccc(C#N)cc1)C(=O)[O-]	ZINC000013609256	409918764	/nfs/dbraw/zinc/91/87/64/409918764.db2.gz	GZCMZWXXAXPCOG-SNVBAGLBSA-N	-1	0	205.213	1.800	40	30		BDEBRM
CC1=CC(=O)C(Br)=C/C1=N/[O-]	ZINC000100252319	168090792	/nfs/dbraw/zinc/09/07/92/168090792.db2.gz	WUIIEPJMEOMLOU-TWGQIWQCSA-N	-1	0	216.034	1.624	40	30		BDEBRM
CCS(=O)(=O)C/C(=N/[O-])c1ccc(F)cc1	ZINC000096524461	170607242	/nfs/dbraw/zinc/60/72/42/170607242.db2.gz	GEGUQMDGGSRDGZ-BENRWUELSA-N	-1	0	245.275	1.439	40	30		BDEBRM
COc1ccc2c(c1)C([O-])=CC(=O)C2=O	ZINC000038221059	175206868	/nfs/dbraw/zinc/20/68/68/175206868.db2.gz	RZMSKDLHMYQJGS-UHFFFAOYSA-N	-1	0	204.181	1.516	40	30		BDEBRM
COc1ccccc1C(=O)CC(=O)C(=O)[O-]	ZINC000106679632	175316211	/nfs/dbraw/zinc/31/62/11/175316211.db2.gz	KKQBNRKMXFLWER-TWGQIWQCSA-N	-1	0	222.196	1.404	40	30		BDEBRM
O=C([O-])C#Cc1ccn(C2CCCC2)n1	ZINC000072339534	527549941	/nfs/dbraw/zinc/54/99/41/527549941.db2.gz	YCLGHYNHIZARJH-UHFFFAOYSA-N	-1	0	204.229	1.434	40	30		BDEBRM