smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(NN=C[N+](=O)[O-])cc1	ZINC000039087123	343382108	/nfs/dbraw/zinc/38/21/08/343382108.db2.gz	DDNOADCZXQNZJP-KTKRTIGZSA-N	-1	0	209.161	1.703	10	10		BDCERM
Cc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1O	ZINC000083236734	187266910	/nfs/dbraw/zinc/26/69/10/187266910.db2.gz	FSTKATSQERJULM-WCBMZHEXSA-N	-1	0	239.296	1.489	10	10		BDCERM
O=C([O-])c1cc(O)c(O)cc1Br	ZINC000034492966	346299259	/nfs/dbraw/zinc/29/92/59/346299259.db2.gz	UITLOCZYUZNLJH-UHFFFAOYSA-N	-1	0	233.017	1.559	10	10		BDCERM
CCc1nc2c(n1O)C(=O)c1ccccc1C2=O	ZINC000096336142	172009283	/nfs/dbraw/zinc/00/92/83/172009283.db2.gz	MDRAYJJARMCXCY-UHFFFAOYSA-N	-1	0	242.234	1.458	10	10		BDCERM
CCN(CC)C(=O)c1ccc(O)c(O)c1	ZINC000045805256	343534237	/nfs/dbraw/zinc/53/42/37/343534237.db2.gz	ZGCJRVCUJYJIST-UHFFFAOYSA-N	-1	0	209.245	1.580	10	10		BDCERM
O=C([O-])/C=C/CSc1nccs1	ZINC000051858983	182410915	/nfs/dbraw/zinc/41/09/15/182410915.db2.gz	JKPWYMZDAUGUNO-OWOJBTEDSA-N	-1	0	201.272	1.876	10	10		BDCERM
Cc1cc(N2CCOCC2)ccc1/C=C/C(=O)[O-]	ZINC000050577473	132359309	/nfs/dbraw/zinc/35/93/09/132359309.db2.gz	IQHVLBNYODMWIG-HWKANZROSA-N	-1	0	247.294	1.929	10	10		BDCERM
COc1ccc(N(C)C[C@@H](C)C(=O)[O-])cc1	ZINC000049819322	175136317	/nfs/dbraw/zinc/13/63/17/175136317.db2.gz	PPOHNMOGHWXAJT-SECBINFHSA-N	-1	0	223.272	1.852	10	10		BDCERM
O=C([O-])C(F)(F)CSc1nccs1	ZINC000685956665	538903319	/nfs/dbraw/zinc/90/33/19/538903319.db2.gz	YLGHQVZBOAERLL-UHFFFAOYSA-N	-1	0	225.241	1.955	10	10		BDCERM
O=C([O-])[C@H](F)Cc1ccc(O)c(O)c1	ZINC000039096190	344812500	/nfs/dbraw/zinc/81/25/00/344812500.db2.gz	DBQVBSXCICUQIM-ZCFIWIBFSA-N	-1	0	200.165	1.063	10	10		BDCERM
O=S(=O)([O-])c1cc(O)c(O)c2ccccc21	ZINC000019733154	187314186	/nfs/dbraw/zinc/31/41/86/187314186.db2.gz	YBEQJFZNOBLHMJ-UHFFFAOYSA-N	-1	0	240.236	1.498	10	10		BDCERM
O=C([O-])c1cnc(Sc2nccs2)nc1	ZINC000307503790	353080132	/nfs/dbraw/zinc/08/01/32/353080132.db2.gz	JXTKQPLOCJCIBB-UHFFFAOYSA-N	-1	0	239.281	1.783	10	10		BDCERM
O=c1ccoc(-c2ccc(O)c(O)c2)c1	ZINC000039096365	183007322	/nfs/dbraw/zinc/00/73/22/183007322.db2.gz	UQZBNJFTFZEDOC-UHFFFAOYSA-N	-1	0	204.181	1.718	10	10		BDCERM
Cc1[n-]n(-c2ccc(N)cc2)c(=O)c1C	ZINC000005141763	168134306	/nfs/dbraw/zinc/13/43/06/168134306.db2.gz	UOCOWPDBMOCDPI-ZETCQYMHSA-N	-1	0	203.245	1.627	10	10		BDCERM
CCOC(=O)c1c(CC)[n-]n2c1nc(C)cc2=O	ZINC000072226814	170288171	/nfs/dbraw/zinc/28/81/71/170288171.db2.gz	LMMNTADOKLCLEB-UHFFFAOYSA-N	-1	0	249.270	1.482	10	10		BDCERM
COCc1cc(=O)n(-c2ccc(N)cc2)[n-]1	ZINC000051699828	174116818	/nfs/dbraw/zinc/11/68/18/174116818.db2.gz	DOWMFBPIUKIFOE-UHFFFAOYSA-N	-1	0	219.244	1.008	10	10		BDCERM
COc1ccc(CC(=S)C(=O)[O-])cc1OC	ZINC000000097552	175087580	/nfs/dbraw/zinc/08/75/80/175087580.db2.gz	BGVNIAULGFRVKJ-UHFFFAOYSA-N	-1	0	240.280	1.701	10	10		BDCERM
O=C([O-])/C=C\c1ccc(N2CCC2)c([N+](=O)[O-])c1	ZINC000384977656	971970411	/nfs/dbraw/zinc/97/04/11/971970411.db2.gz	MLPVJAGODSEREL-HYXAFXHYSA-N	-1	0	248.238	1.903	10	10		BDCERM
CC[N@H+](CC(=O)[O-])Cc1cc(F)cc(F)c1[O-]	ZINC000708076081	977414085	/nfs/dbraw/zinc/41/40/85/977414085.db2.gz	RMTSFPLYMGRHTO-UHFFFAOYSA-N	-1	0	245.225	1.577	10	10		BDCERM
Cc1cccc(O)c1[C@@H]1N[C@H](C(=O)[O-])CS1	ZINC000083236716	179161995	/nfs/dbraw/zinc/16/19/95/179161995.db2.gz	UUTAWQLYOPMUQN-OIBJUYFYSA-N	-1	0	239.296	1.489	10	10		BDCERM
Cc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)c1O	ZINC000083236739	179205691	/nfs/dbraw/zinc/20/56/91/179205691.db2.gz	FSTKATSQERJULM-SCZZXKLOSA-N	-1	0	239.296	1.489	10	10		BDCERM
CCCCN1C(=O)[C@H](CC(=O)[O-])SC1=S	ZINC000584609025	358269784	/nfs/dbraw/zinc/26/97/84/358269784.db2.gz	AELDIHAMSOGDDN-LURJTMIESA-N	-1	0	247.341	1.490	10	10		BDCERM
O=CCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000136083767	181835044	/nfs/dbraw/zinc/83/50/44/181835044.db2.gz	YIQRQXPLRNCYEN-AATRIKPKSA-N	-1	0	207.185	1.395	10	10		BDCERM
O=Cc1ccc([O-])c(O)c1C(F)(F)F	ZINC000039096450	384104442	/nfs/dbraw/zinc/10/44/42/384104442.db2.gz	TXWRCLYQXNTTSW-UHFFFAOYSA-N	-1	0	206.119	1.929	10	10		BDCERM
CN(C)c1ccc(-c2nc(C(=O)[O-])c[nH]2)cc1	ZINC000071535158	172547634	/nfs/dbraw/zinc/54/76/34/172547634.db2.gz	ZIXLUPQIUXDEGB-UHFFFAOYSA-N	-1	0	231.255	1.841	10	10		BDCERM
CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-]	ZINC000097563276	187326957	/nfs/dbraw/zinc/32/69/57/187326957.db2.gz	UBFRDSVEMZHKQO-XQRVVYSFSA-N	-1	0	236.227	1.759	10	10		BDCERM
Cc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)c1O	ZINC000083236736	179205712	/nfs/dbraw/zinc/20/57/12/179205712.db2.gz	FSTKATSQERJULM-WPRPVWTQSA-N	-1	0	239.296	1.489	10	10		BDCERM
CCCN1C(=O)[C@H](CC(=O)[O-])SC1=S	ZINC000584609172	358269850	/nfs/dbraw/zinc/26/98/50/358269850.db2.gz	DDWJHTNIUYOMID-YFKPBYRVSA-N	-1	0	233.314	1.100	10	10		BDCERM
O=C([O-])/C=C/c1ccc(N2CCC2)cc1	ZINC000306450206	360019923	/nfs/dbraw/zinc/01/99/23/360019923.db2.gz	BUTAJRSRJVUXIM-QPJJXVBHSA-N	-1	0	203.241	1.995	10	10		BDCERM
NNCc1cc(Cl)cc(Cl)c1[O-]	ZINC000307408925	386635947	/nfs/dbraw/zinc/63/59/47/386635947.db2.gz	FUCFOCPFZBUUHZ-UHFFFAOYSA-N	-1	0	207.060	1.662	10	10		BDCERM
CN(C)/N=N/c1ccc(CC(=O)[O-])cc1	ZINC000005957204	172353887	/nfs/dbraw/zinc/35/38/87/172353887.db2.gz	TVMSFPBRHZUEQE-VAWYXSNFSA-N	-1	0	207.233	1.874	10	10		BDCERM
O=C([O-])C1C[NH+](Cc2cc(F)cc(F)c2[O-])C1	ZINC000708075168	977413702	/nfs/dbraw/zinc/41/37/02/977413702.db2.gz	JZFRUZLLWSSYPN-UHFFFAOYSA-N	-1	0	243.209	1.187	10	10		BDCERM
CC(=O)C=C(O)C(=O)C=C([O-])c1ccccc1	ZINC000148726363	346041746	/nfs/dbraw/zinc/04/17/46/346041746.db2.gz	LPNIEPWHIFFJOX-UHFFFAOYSA-N	-1	0	232.235	1.377	10	10		BDCERM
O=C1NCCc2c(Cl)c([O-])c(O)cc21	ZINC000095835609	388787250	/nfs/dbraw/zinc/78/72/50/388787250.db2.gz	WQPWJBHZYLBHDX-UHFFFAOYSA-N	-1	0	213.620	1.037	10	10		BDCERM
Nc1ccc(N2C(=O)CCCC2=O)c(C(=O)[O-])c1	ZINC000062831608	132388350	/nfs/dbraw/zinc/38/83/50/132388350.db2.gz	IFMSQJZTTLPUOC-UHFFFAOYSA-N	-1	0	248.238	1.011	10	10		BDCERM
C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C(=O)[O-]	ZINC000062748219	176889080	/nfs/dbraw/zinc/88/90/80/176889080.db2.gz	UJDBXANUCMZTMF-BQBZGAKWSA-N	-1	0	227.235	1.655	10	10		BDCERM
C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC000703330745	954910660	/nfs/dbraw/zinc/91/06/60/954910660.db2.gz	YUANYPTXIPFNQF-YFKPBYRVSA-N	-1	0	231.198	1.233	10	10		BDCERM
C[C@H](C(=O)[O-])[N@H+](C)Cc1cc(F)cc(F)c1[O-]	ZINC000708076160	977413499	/nfs/dbraw/zinc/41/34/99/977413499.db2.gz	SWZNMSBMNXKAEW-ZCFIWIBFSA-N	-1	0	245.225	1.575	10	10		BDCERM
Cc1[n-]n(-c2ccc(N)cc2)c(=O)c1C	ZINC000100366973	168133866	/nfs/dbraw/zinc/13/38/66/168133866.db2.gz	UOCOWPDBMOCDPI-SSDOTTSWSA-N	-1	0	203.245	1.627	10	10		BDCERM
COc1ccc(N(C)CCC(=O)[O-])c(OC)c1	ZINC000049829586	175136275	/nfs/dbraw/zinc/13/62/75/175136275.db2.gz	NDDXVDFFHLINNJ-UHFFFAOYSA-N	-1	0	239.271	1.615	10	10		BDCERM
CC1=NNC(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000032106502	343230027	/nfs/dbraw/zinc/23/00/27/343230027.db2.gz	OIPKOPFPMRJBIZ-UITAMQMPSA-N	-1	0	247.210	1.190	10	10		BDCERM
N#[N+][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000307749895	353126849	/nfs/dbraw/zinc/12/68/49/353126849.db2.gz	IDQMFKOVZYIGLS-UHFFFAOYSA-N	-1	0	233.230	1.445	10	10		BDCERM
Cc1[n-][nH]c(=O)c1N=Nc1ccccc1	ZINC000101122734	168137030	/nfs/dbraw/zinc/13/70/30/168137030.db2.gz	YHCCPHWHJQNCNK-TWLKNAOBSA-N	-1	0	202.217	1.645	10	10		BDCERM
Cc1cccc(O)c1[C@H]1N[C@H](C(=O)[O-])CS1	ZINC000083236718	179161957	/nfs/dbraw/zinc/16/19/57/179161957.db2.gz	UUTAWQLYOPMUQN-XVKPBYJWSA-N	-1	0	239.296	1.489	10	10		BDCERM
Cc1cc(S(=O)(=O)[N-][N+]#N)sc1C(=O)[O-]	ZINC000307651360	352742630	/nfs/dbraw/zinc/74/26/30/352742630.db2.gz	LTXYJEDGQBYVPF-UHFFFAOYSA-N	-1	0	247.257	1.754	10	10		BDCERM
O=C([O-])c1ccc2cc(O)c(O)cc2c1	ZINC000006535079	182573411	/nfs/dbraw/zinc/57/34/11/182573411.db2.gz	NEEWJIPREFDATB-UHFFFAOYSA-N	-1	0	204.181	1.949	10	10		BDCERM
O=C([O-])c1c(F)c(O)c(O)c(F)c1F	ZINC000039096728	384102704	/nfs/dbraw/zinc/10/27/04/384102704.db2.gz	YUHVKHYMBFPRNG-UHFFFAOYSA-N	-1	0	208.091	1.213	10	10		BDCERM
O=C([O-])[C@H]1Nc2c(O)cccc2[C@@H]2C=CC[C@H]21	ZINC000013116420	384348594	/nfs/dbraw/zinc/34/85/94/384348594.db2.gz	VQPJWSZWDZNVOJ-VMAXQDLPSA-N	-1	0	231.251	1.931	10	10		BDCERM
Cc1cc(O)c(O)c2oc(=O)cc([O-])c12	ZINC000014814586	178196670	/nfs/dbraw/zinc/19/66/70/178196670.db2.gz	YCWXVXKGTYLDQL-UHFFFAOYSA-N	-1	0	208.169	1.218	10	10		BDCERM
COc1ccc2c(c1)[C@H](C(=O)[O-])[C@H](C)N2C	ZINC000669372542	636548963	/nfs/dbraw/zinc/54/89/63/636548963.db2.gz	RNDWXOHHDMYKAV-WRWORJQWSA-N	-1	0	221.256	1.702	10	10		BDCERM
Nc1ccc(O)c(C[N-]C(=O)C(F)(F)F)c1	ZINC000229557238	372163907	/nfs/dbraw/zinc/16/39/07/372163907.db2.gz	XBIIBNZZRWXFQC-UHFFFAOYSA-N	-1	0	234.177	1.153	10	10		BDCERM
O=C([O-])c1cc2ccc(O)c(=O)c-2c[nH]1	ZINC000039096526	182559575	/nfs/dbraw/zinc/55/95/75/182559575.db2.gz	OZICLPSVYUHJPG-UHFFFAOYSA-N	-1	0	205.169	1.344	10	10		BDCERM
O=[N+]([O-])c1ccc([O-])c(O)c1Br	ZINC000575686256	387375349	/nfs/dbraw/zinc/37/53/49/387375349.db2.gz	KMJLMIUUHPKLMN-UHFFFAOYSA-N	-1	0	234.005	1.769	10	10		BDCERM
CCCCc1ccc(C(=O)C(=O)C(=O)[O-])cc1	ZINC000077368011	169019144	/nfs/dbraw/zinc/01/91/44/169019144.db2.gz	ONTHYKWODBSDRW-UHFFFAOYSA-N	-1	0	234.251	1.866	10	10		BDCERM
CC(=O)c1c(C)[n-]n2c1nc(C)cc2=O	ZINC000072416688	384118120	/nfs/dbraw/zinc/11/81/20/384118120.db2.gz	NKTQIASCMVWCNA-UHFFFAOYSA-N	-1	0	205.217	1.254	10	10		BDCERM
[O-]c1c(O)ccc(F)c1Br	ZINC000575686187	387374894	/nfs/dbraw/zinc/37/48/94/387374894.db2.gz	IYEKHXCNXQMKSX-UHFFFAOYSA-N	-1	0	206.998	1.999	10	10		BDCERM
O=C([O-])[C@@H](F)Cc1ccc(O)c(O)c1	ZINC000039096188	344812370	/nfs/dbraw/zinc/81/23/70/344812370.db2.gz	DBQVBSXCICUQIM-LURJTMIESA-N	-1	0	200.165	1.063	10	10		BDCERM
O=C([O-])CCC[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703379401	954911495	/nfs/dbraw/zinc/91/14/95/954911495.db2.gz	KFIMDPJZXOLYHZ-UHFFFAOYSA-N	-1	0	245.225	1.625	10	10		BDCERM
[NH3+][C@H](C(=O)[O-])c1cc(F)c(Cl)cc1[O-]	ZINC000072196276	191004544	/nfs/dbraw/zinc/00/45/44/191004544.db2.gz	FQMDNSQAANDHPQ-ZETCQYMHSA-N	-1	0	219.599	1.269	10	10		BDCERM
O=C([O-])c1cnc(Sc2ccncn2)s1	ZINC000307694149	352971711	/nfs/dbraw/zinc/97/17/11/352971711.db2.gz	ZRAXEGIBSHVPIU-UHFFFAOYSA-N	-1	0	239.281	1.783	10	10		BDCERM
O=C([O-])CCCCc1cc(O)c(O)c(O)c1	ZINC000584637226	358322440	/nfs/dbraw/zinc/32/24/40/358322440.db2.gz	MASHJJSDLKLZLA-UHFFFAOYSA-N	-1	0	226.228	1.601	10	10		BDCERM
C[C@@H](CC(=O)[O-])C(=O)c1cccc(O)c1O	ZINC000014660282	560224155	/nfs/dbraw/zinc/22/41/55/560224155.db2.gz	SGNALGPYOOQHOT-LURJTMIESA-N	-1	0	224.212	1.391	10	10	biogenic,in-vitro	BDCERM
Nc1cccc(C(=O)[O-])c1NC1CCC1	ZINC000164086058	640439846	/nfs/dbraw/zinc/43/98/46/640439846.db2.gz	OTAHVCNKSKUXPT-UHFFFAOYSA-N	-1	0	206.245	1.931	10	10		BDCERM
COC(=O)CSc1ncc(C(=O)[O-])s1	ZINC000379519760	971641970	/nfs/dbraw/zinc/64/19/70/971641970.db2.gz	BXERQXXLAZVAPO-UHFFFAOYSA-N	-1	0	233.270	1.106	10	10		BDCERM
O=C([O-])c1nc(-c2ccc(O)c(O)c2)cs1	ZINC000381378369	971758179	/nfs/dbraw/zinc/75/81/79/971758179.db2.gz	JRCHMAYOCOESRR-UHFFFAOYSA-N	-1	0	237.236	1.920	10	10		BDCERM
O=C([O-])c1cc2cc(O)c(O)cc2cn1	ZINC000039096528	343382663	/nfs/dbraw/zinc/38/26/63/343382663.db2.gz	PQOLJBHSFABTRG-UHFFFAOYSA-N	-1	0	205.169	1.344	10	10		BDCERM
O=C(c1ccco1)c1cccc(O)c1[O-]	ZINC000148502376	346036016	/nfs/dbraw/zinc/03/60/16/346036016.db2.gz	SBCITTMAJKRYJJ-UHFFFAOYSA-N	-1	0	204.181	1.922	10	10		BDCERM
Cc1cccc(/N=N/S(=O)(=O)[O-])c1	ZINC000034361553	179003246	/nfs/dbraw/zinc/00/32/46/179003246.db2.gz	IXDVMYIXEDDYHM-CMDGGOBGSA-N	-1	0	200.219	1.882	10	10		BDCERM
O=C([O-])c1ccc(Sc2nccs2)nn1	ZINC000040676409	188118218	/nfs/dbraw/zinc/11/82/18/188118218.db2.gz	TZQYINRMYGOGPR-UHFFFAOYSA-N	-1	0	239.281	1.783	10	10		BDCERM
CC(=O)c1cnc(SCC(=O)[O-])s1	ZINC000083252140	188122119	/nfs/dbraw/zinc/12/21/19/188122119.db2.gz	WDAVMVXZRWUIIC-UHFFFAOYSA-N	-1	0	217.271	1.522	10	10		BDCERM
O=C([O-])[C@@H]1CC(=O)C(=O)C12CCCCC2	ZINC000584652545	358307731	/nfs/dbraw/zinc/30/77/31/358307731.db2.gz	XZRGXBSPQYHKAV-ZETCQYMHSA-N	-1	0	210.229	1.180	10	10		BDCERM
O=C([O-])[C@H]1CC(=O)C(=O)C12CCCCC2	ZINC000584652539	358307746	/nfs/dbraw/zinc/30/77/46/358307746.db2.gz	XZRGXBSPQYHKAV-SSDOTTSWSA-N	-1	0	210.229	1.180	10	10		BDCERM
O=C([O-])c1cnc(Sc2ncco2)s1	ZINC000307349969	386129924	/nfs/dbraw/zinc/12/99/24/386129924.db2.gz	PEXQYHHEXXKZJT-UHFFFAOYSA-N	-1	0	228.254	1.981	10	10		BDCERM
O=C([O-])/C=C\c1ccc(N2CCOCC2)cc1	ZINC000002825763	132238744	/nfs/dbraw/zinc/23/87/44/132238744.db2.gz	PTIOADUSEPAKPX-UTCJRWHESA-N	-1	0	233.267	1.621	10	10		BDCERM
CC[C@@H]1SC(=S)N([C@H](C)C(=O)[O-])C1=O	ZINC000072412548	171154685	/nfs/dbraw/zinc/15/46/85/171154685.db2.gz	JDVMTMASNBRKDA-UHNVWZDZSA-N	-1	0	233.314	1.098	10	10		BDCERM
O=C([O-])c1cccc2ccc(O)c(O)c21	ZINC000004655008	560199396	/nfs/dbraw/zinc/19/93/96/560199396.db2.gz	UACHLBCIWAPMNM-UHFFFAOYSA-N	-1	0	204.181	1.949	10	10	in-vitro	BDCERM
COC(=O)c1cc([O-])c(C(C)=O)s1	ZINC000039075284	388407108	/nfs/dbraw/zinc/40/71/08/388407108.db2.gz	XLHGRPHSXOGTRP-UHFFFAOYSA-N	-1	0	200.215	1.443	10	10		BDCERM
Cc1[n-]n(-c2ccccc2)c(=O)c1CN=O	ZINC000103547170	168135465	/nfs/dbraw/zinc/13/54/65/168135465.db2.gz	OBKFQPBXEBTYBI-JXMROGBWSA-N	-1	0	217.228	1.272	10	10		BDCERM
Cc1[n-][nH]c(=O)c1N=Nc1ccccc1	ZINC000101122737	168136032	/nfs/dbraw/zinc/13/60/32/168136032.db2.gz	YHCCPHWHJQNCNK-XRNDOFNESA-N	-1	0	202.217	1.645	10	10		BDCERM
CN1CCc2cc(/C=C\C(=O)[O-])ccc21	ZINC000090685150	173170116	/nfs/dbraw/zinc/17/01/16/173170116.db2.gz	LXXWSNSRUZKVHI-HYXAFXHYSA-N	-1	0	203.241	1.777	10	10		BDCERM
C[C@H](c1ccccc1O)N(C)C(=O)/C=C/C(=O)[O-]	ZINC000037836133	177043226	/nfs/dbraw/zinc/04/32/26/177043226.db2.gz	XJDPSLHIMOPFDQ-FCZSHJHJSA-N	-1	0	249.266	1.552	10	10		BDCERM
C[C@H](NC(=O)CC(=O)[O-])c1ccccc1O	ZINC000381469165	971761554	/nfs/dbraw/zinc/76/15/54/971761554.db2.gz	MATVVNYVFJSVBO-ZETCQYMHSA-N	-1	0	223.228	1.044	10	10		BDCERM
O=C([O-])CC[NH2+]Cc1cc(F)cc(F)c1[O-]	ZINC000708074782	969033217	/nfs/dbraw/zinc/03/32/17/969033217.db2.gz	FUPJROGASGAEJY-UHFFFAOYSA-N	-1	0	231.198	1.235	10	10		BDCERM
C[C@H]1CC(=O)N(Cc2ccc(C(=O)[O-])cc2O)C1	ZINC000584597785	358255325	/nfs/dbraw/zinc/25/53/25/358255325.db2.gz	LLKFUUTWOBVWHY-QMMMGPOBSA-N	-1	0	249.266	1.459	10	10		BDCERM
CC(C)C(=O)C(=O)C[C@H](C)CC(=O)[O-]	ZINC000584608956	358270010	/nfs/dbraw/zinc/27/00/10/358270010.db2.gz	GYNMXJPOPURIGW-ZETCQYMHSA-N	-1	0	200.234	1.282	10	10		BDCERM
[O-]c1c(Cl)cc(Cl)cc1[C@@H](CO)NO	ZINC000306511384	360335137	/nfs/dbraw/zinc/33/51/37/360335137.db2.gz	MTPVFMRGOFKXAU-SSDOTTSWSA-N	-1	0	238.070	1.711	10	10		BDCERM
CCN(O)N=Nc1ccccc1C(=O)[O-]	ZINC000215964794	398091549	/nfs/dbraw/zinc/09/15/49/398091549.db2.gz	PQQNTCYMDSCTGI-QXMHVHEDSA-N	-1	0	209.205	1.694	10	10		BDCERM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1	ZINC000033395134	178355735	/nfs/dbraw/zinc/35/57/35/178355735.db2.gz	JPJWJZPIXBFQJZ-JXMROGBWSA-N	-1	0	244.250	1.087	10	10		BDCERM
O=C([O-])c1coc(Sc2nccs2)n1	ZINC000165933352	344240316	/nfs/dbraw/zinc/24/03/16/344240316.db2.gz	BSISPUAEQLYVJZ-UHFFFAOYSA-N	-1	0	228.254	1.981	10	10		BDCERM
[O-]c1c(Cl)cc(Cl)cc1[C@H](CO)NO	ZINC000306511385	360334534	/nfs/dbraw/zinc/33/45/34/360334534.db2.gz	MTPVFMRGOFKXAU-ZETCQYMHSA-N	-1	0	238.070	1.711	10	10		BDCERM
COc1ccc(N(C)C[C@H](C)C(=O)[O-])cc1	ZINC000049819321	175135970	/nfs/dbraw/zinc/13/59/70/175135970.db2.gz	PPOHNMOGHWXAJT-VIFPVBQESA-N	-1	0	223.272	1.852	10	10		BDCERM
COc1ccc2c(c1)[C@@H](C(=O)[O-])[C@@H](C)N2C	ZINC000669372540	636547606	/nfs/dbraw/zinc/54/76/06/636547606.db2.gz	RNDWXOHHDMYKAV-HQJQHLMTSA-N	-1	0	221.256	1.702	10	10		BDCERM
O=C([O-])c1cc(F)c([O-])c([C@@H]2CCC[NH2+]2)c1	ZINC000072202367	343071503	/nfs/dbraw/zinc/07/15/03/343071503.db2.gz	XXLQZVUCUGXLHH-VIFPVBQESA-N	-1	0	225.219	1.654	10	10		BDCERM
Cc1cccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1O	ZINC000083236737	188295569	/nfs/dbraw/zinc/29/55/69/188295569.db2.gz	FSTKATSQERJULM-PSASIEDQSA-N	-1	0	239.296	1.489	10	10		BDCERM
CCCCN1C(=O)[C@@H](CC(=O)[O-])SC1=S	ZINC000584609026	358269915	/nfs/dbraw/zinc/26/99/15/358269915.db2.gz	AELDIHAMSOGDDN-ZCFIWIBFSA-N	-1	0	247.341	1.490	10	10		BDCERM
Clc1cnc(Sc2nnn[n-]2)s1	ZINC000060217279	368261889	/nfs/dbraw/zinc/26/18/89/368261889.db2.gz	WCMILOZEPGJEQV-UHFFFAOYSA-N	-1	0	219.682	1.461	10	10		BDCERM
COc1ccc(N(C)CCC(=O)[O-])cc1OC	ZINC000049829587	175136451	/nfs/dbraw/zinc/13/64/51/175136451.db2.gz	STSSABSYKFWRBD-UHFFFAOYSA-N	-1	0	239.271	1.615	10	10		BDCERM
COc1ccc2c(c1)[C@@H](C(=O)[O-])[C@H](C)N2C	ZINC000669372539	566421282	/nfs/dbraw/zinc/42/12/82/566421282.db2.gz	RNDWXOHHDMYKAV-CPCISQLKSA-N	-1	0	221.256	1.702	10	10		BDCERM
Cc1cc(O)c2c([O-])cc(=O)c(O)c-2o1	ZINC000014814606	342887805	/nfs/dbraw/zinc/88/78/05/342887805.db2.gz	MBNBHJBTPBFJAD-UHFFFAOYSA-N	-1	0	208.169	1.218	10	10		BDCERM
CC(=O)c1ccc([O-])c(CN2CCN(C)CC2)c1	ZINC000035054480	187594329	/nfs/dbraw/zinc/59/43/29/187594329.db2.gz	FOOGFUKOEOWDQD-UHFFFAOYSA-N	-1	0	248.326	1.342	10	10		BDCERM
O=C([O-])c1cc(O)c(Cl)c(O)c1O	ZINC000075605259	182557241	/nfs/dbraw/zinc/55/72/41/182557241.db2.gz	DDBZSFXQQLXQPS-UHFFFAOYSA-N	-1	0	204.565	1.155	10	10		BDCERM
O=C([O-])CSc1ccc(O)c(O)c1	ZINC000039096141	384103972	/nfs/dbraw/zinc/10/39/72/384103972.db2.gz	KHIWBJULINRVGR-UHFFFAOYSA-N	-1	0	200.215	1.275	10	10		BDCERM
COc1ccc2c(c1)[C@H](C(=O)[O-])[C@@H](C)N2C	ZINC000669372541	636548648	/nfs/dbraw/zinc/54/86/48/636548648.db2.gz	RNDWXOHHDMYKAV-RDDDGLTNSA-N	-1	0	221.256	1.702	10	10		BDCERM
Cc1cc2cc(O)c([O-])c(O)c2c(=O)o1	ZINC000014814612	178296526	/nfs/dbraw/zinc/29/65/26/178296526.db2.gz	FBJMEOFSLTXPKH-UHFFFAOYSA-N	-1	0	208.169	1.218	10	10	biogenic,in-vitro	BDCERM
N#[N+][N-]CCn1[n-]c(-c2cccnc2)cc1=O	ZINC000409437766	343848795	/nfs/dbraw/zinc/84/87/95/343848795.db2.gz	IMSUYOKGALPBJK-UHFFFAOYSA-N	-1	0	230.231	1.961	10	10		BDCERM
N#[N+][N-]CCn1[n-]c(-c2ccccn2)cc1=O	ZINC000409440187	343851023	/nfs/dbraw/zinc/85/10/23/343851023.db2.gz	SHINZLDMDRJQDU-UHFFFAOYSA-N	-1	0	230.231	1.961	10	10		BDCERM
Cc1cccc(O)c1[C@@H]1N[C@@H](C(=O)[O-])CS1	ZINC000083236719	179161785	/nfs/dbraw/zinc/16/17/85/179161785.db2.gz	UUTAWQLYOPMUQN-GMSGAONNSA-N	-1	0	239.296	1.489	10	10		BDCERM
Cn1ncnc1Sc1ncc(C(=O)[O-])s1	ZINC000306524705	360369227	/nfs/dbraw/zinc/36/92/27/360369227.db2.gz	ZSIPPTVNEYUFTA-UHFFFAOYSA-N	-1	0	242.285	1.121	10	10		BDCERM
O=Cc1cc(O)c([O-])c(C(F)(F)F)c1	ZINC000027897048	384917508	/nfs/dbraw/zinc/91/75/08/384917508.db2.gz	ZPXDAYCKOAHUCE-UHFFFAOYSA-N	-1	0	206.119	1.929	10	10		BDCERM
CN(C)c1ccc(CNC(=O)/C=C/C(=O)[O-])cc1	ZINC000037792148	172553416	/nfs/dbraw/zinc/55/34/16/172553416.db2.gz	WTUUWRKOOGNJSR-BQYQJAHWSA-N	-1	0	248.282	1.010	10	10		BDCERM
CCOC(=O)CSc1ncc(C(=O)[O-])s1	ZINC000379992469	971668569	/nfs/dbraw/zinc/66/85/69/971668569.db2.gz	YILCACDKBUBUDK-UHFFFAOYSA-N	-1	0	247.297	1.497	10	10		BDCERM
C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC000708393323	954998905	/nfs/dbraw/zinc/99/89/05/954998905.db2.gz	CVNBZXFILLYSAQ-RXMQYKEDSA-N	-1	0	231.198	1.233	10	10		BDCERM
CC[C@@H](NO)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000308868497	342874564	/nfs/dbraw/zinc/87/45/64/342874564.db2.gz	LVSJPZWVRRGEDQ-MRVPVSSYSA-N	-1	0	212.205	1.730	10	10		BDCERM
N#[N+][N-]CCn1[n-]c(-c2cnccn2)cc1=O	ZINC000409441157	343855755	/nfs/dbraw/zinc/85/57/55/343855755.db2.gz	WWAZHCAHCPQTIZ-UHFFFAOYSA-N	-1	0	231.219	1.356	10	10		BDCERM
Cc1onc(Cc2ccc(N)cc2)c1C(=O)[O-]	ZINC000725267038	538096785	/nfs/dbraw/zinc/09/67/85/538096785.db2.gz	BWENOXBFKPGKDO-UHFFFAOYSA-N	-1	0	232.239	1.854	10	10		BDCERM
NC1=NC(=O)[N-]C(=O)C1=CC=Cc1ccccc1	ZINC000040176436	181207212	/nfs/dbraw/zinc/20/72/12/181207212.db2.gz	AVGOSWSYCXZMSW-DAAQNPAKSA-N	-1	0	241.250	1.647	10	10		BDCERM
O=Cc1cc(Br)cc(O)c1O	ZINC000059617869	385051342	/nfs/dbraw/zinc/05/13/42/385051342.db2.gz	QOJBBGBTZFXYBV-UHFFFAOYSA-N	-1	0	217.018	1.673	10	10		BDCERM
COc1cc(/C=C\C(=O)[O-])cc(O)c1O	ZINC000013514649	174940765	/nfs/dbraw/zinc/94/07/65/174940765.db2.gz	YFXWTVLDSKSYLW-IHWYPQMZSA-N	-1	0	210.185	1.204	10	10		BDCERM
CN(C)C(=O)CSc1ncc(C(=O)[O-])s1	ZINC000379804941	971660392	/nfs/dbraw/zinc/66/03/92/971660392.db2.gz	NNPVZCDOLAZGGK-UHFFFAOYSA-N	-1	0	246.313	1.022	10	10		BDCERM
C[N@H+](CC(=O)[O-])Cc1cc(F)cc(F)c1[O-]	ZINC000708075209	954991116	/nfs/dbraw/zinc/99/11/16/954991116.db2.gz	KFWYVINJTPPFHC-UHFFFAOYSA-N	-1	0	231.198	1.187	10	10		BDCERM
O=C([O-])c1cc(O)c2cc(O)c(O)cc2c1	ZINC000014815383	342888004	/nfs/dbraw/zinc/88/80/04/342888004.db2.gz	SOOITHILOFOVHO-UHFFFAOYSA-N	-1	0	220.180	1.655	10	10		BDCERM
O=C1CCCc2cc(O)c([O-])c([N+](=O)[O-])c21	ZINC000025989269	343098893	/nfs/dbraw/zinc/09/88/93/343098893.db2.gz	CXOQHHVPOJWTNP-UHFFFAOYSA-N	-1	0	223.184	1.525	10	10	in-vivo	BDCERM
N#[N+][N-]CCn1[n-]c(C(F)(F)F)cc1=O	ZINC000409437813	343848858	/nfs/dbraw/zinc/84/88/58/343848858.db2.gz	JAJYMRFIUDTOLX-UHFFFAOYSA-N	-1	0	221.142	1.918	10	10		BDCERM
Cc1cccc(O)c1[C@H]1N[C@@H](C(=O)[O-])CS1	ZINC000083236722	179162179	/nfs/dbraw/zinc/16/21/79/179162179.db2.gz	UUTAWQLYOPMUQN-XCBNKYQSSA-N	-1	0	239.296	1.489	10	10		BDCERM
CC[C@H]1SC(=S)N([C@H](C)C(=O)[O-])C1=O	ZINC000072412547	398124749	/nfs/dbraw/zinc/12/47/49/398124749.db2.gz	JDVMTMASNBRKDA-RFZPGFLSSA-N	-1	0	233.314	1.098	10	10		BDCERM
O=C(c1cccc(O)c1[O-])C(F)(F)F	ZINC000148180492	341977386	/nfs/dbraw/zinc/97/73/86/341977386.db2.gz	OSEMCWQDEZUMRJ-UHFFFAOYSA-N	-1	0	206.119	1.843	10	10		BDCERM
CCOC(=O)c1ccc2c(c1)NC(=O)C2=C[O-]	ZINC000143713071	345867097	/nfs/dbraw/zinc/86/70/97/345867097.db2.gz	CDNRPBRIQUJZGL-TWGQIWQCSA-N	-1	0	233.223	1.714	10	10		BDCERM
C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C(=O)[O-]	ZINC000708393324	954998594	/nfs/dbraw/zinc/99/85/94/954998594.db2.gz	CVNBZXFILLYSAQ-YFKPBYRVSA-N	-1	0	231.198	1.233	10	10		BDCERM
Cc1nnc(Sc2ncc(C(=O)[O-])s2)o1	ZINC000306737909	398186551	/nfs/dbraw/zinc/18/65/51/398186551.db2.gz	ZSCFMICUDRRWDE-UHFFFAOYSA-N	-1	0	243.269	1.684	10	10		BDCERM
O=C([O-])c1c(O)c(O)cc(Br)c1O	ZINC000090685669	188498757	/nfs/dbraw/zinc/49/87/57/188498757.db2.gz	JCSLFHWENOBAJX-UHFFFAOYSA-N	-1	0	249.016	1.264	10	10		BDCERM
Cc1ccc(C)n1-c1cc(CC(=O)[O-])n(C)n1	ZINC000584619442	358286198	/nfs/dbraw/zinc/28/61/98/358286198.db2.gz	PBEPFLPDEFYLAM-UHFFFAOYSA-N	-1	0	233.271	1.455	10	10		BDCERM
COc1ccc(CC=S)cc1C(=O)[O-]	ZINC000095933163	384412718	/nfs/dbraw/zinc/41/27/18/384412718.db2.gz	GDAZVCMHEOUCMK-UHFFFAOYSA-N	-1	0	210.254	1.936	10	10		BDCERM
C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C(=O)[O-]	ZINC000703330744	954910808	/nfs/dbraw/zinc/91/08/08/954910808.db2.gz	YUANYPTXIPFNQF-RXMQYKEDSA-N	-1	0	231.198	1.233	10	10		BDCERM
Nc1c(O)c(C(=O)[O-])cc2ccccc12	ZINC000001646062	342706894	/nfs/dbraw/zinc/70/68/94/342706894.db2.gz	VCJJAJXTFPNHON-UHFFFAOYSA-N	-1	0	203.197	1.826	10	10		BDCERM
Cc1oc2ccc(O)c(=O)c-2c([O-])c1O	ZINC000039096787	343382545	/nfs/dbraw/zinc/38/25/45/343382545.db2.gz	ZKGMJXQRUGZMRC-UHFFFAOYSA-N	-1	0	208.169	1.218	10	10		BDCERM
O=C([O-])c1ccc(N=NC2N=CC=N2)cc1	ZINC000255969054	384964889	/nfs/dbraw/zinc/96/48/89/384964889.db2.gz	DGPISKUJMTYTRG-UHFFFAOYSA-N	-1	0	216.200	1.907	10	10		BDCERM
CN1CCc2cc(/C=C/C(=O)[O-])ccc21	ZINC000019721925	173170486	/nfs/dbraw/zinc/17/04/86/173170486.db2.gz	LXXWSNSRUZKVHI-HWKANZROSA-N	-1	0	203.241	1.777	10	10		BDCERM
Cc1cc(Cl)c([O-])c([C@H]([NH3+])C(=O)[O-])c1	ZINC000072196224	178061535	/nfs/dbraw/zinc/06/15/35/178061535.db2.gz	NKARBIBIVHGIRS-ZETCQYMHSA-N	-1	0	215.636	1.438	10	10		BDCERM
Nc1ccc(C[N-]C(=O)C(F)(F)F)cc1	ZINC000034266367	343267614	/nfs/dbraw/zinc/26/76/14/343267614.db2.gz	FCVOVMIYANJKKG-UHFFFAOYSA-N	-1	0	218.178	1.447	10	10		BDCERM
CCNC(=O)c1ccc2c(c1)NC(=O)C2=C[O-]	ZINC000143713537	345866961	/nfs/dbraw/zinc/86/69/61/345866961.db2.gz	MWGPUQLPAJROOB-TWGQIWQCSA-N	-1	0	232.239	1.287	10	10		BDCERM
NC1=NC(=O)[N-]C(=O)C1=Cc1ccccc1	ZINC000040176437	181207678	/nfs/dbraw/zinc/20/76/78/181207678.db2.gz	QXCZFOJLDLGOTO-SOFGYWHQSA-N	-1	0	215.212	1.091	10	10		BDCERM
O=C(NCc1ccccc1)c1cc([O-])[nH]c(=O)c1	ZINC000170223117	361525510	/nfs/dbraw/zinc/52/55/10/361525510.db2.gz	KMGJYSSLLYIULX-UHFFFAOYSA-N	-1	0	244.250	1.423	10	10		BDCERM
[O-]c1c(Br)cccc1CNO	ZINC000082987083	183172806	/nfs/dbraw/zinc/17/28/06/183172806.db2.gz	RXRDALULBVXTDA-UHFFFAOYSA-N	-1	0	218.050	1.634	10	10		BDCERM
CCCOc1ccc(N(C)CC(=O)[O-])cc1	ZINC000077335456	169319191	/nfs/dbraw/zinc/31/91/91/169319191.db2.gz	NOZXEPOEIJYXTG-UHFFFAOYSA-N	-1	0	223.272	1.996	10	10		BDCERM
CC[C@@H]1SC(=S)N([C@@H](C)C(=O)[O-])C1=O	ZINC000072412546	171154198	/nfs/dbraw/zinc/15/41/98/171154198.db2.gz	JDVMTMASNBRKDA-WHFBIAKZSA-N	-1	0	233.314	1.098	10	10		BDCERM
Nc1ccc2c(ccn2CCC(=O)[O-])c1	ZINC000041045876	642508705	/nfs/dbraw/zinc/50/87/05/642508705.db2.gz	ZRGNMUXFXLDYEC-UHFFFAOYSA-N	-1	0	204.229	1.698	10	10		BDCERM
CCCN1C(=O)[C@@H](CC(=O)[O-])SC1=S	ZINC000584609171	358269909	/nfs/dbraw/zinc/26/99/09/358269909.db2.gz	DDWJHTNIUYOMID-RXMQYKEDSA-N	-1	0	233.314	1.100	10	10		BDCERM
COC(=O)c1sc2c(c1[O-])COC2	ZINC000584646129	358331216	/nfs/dbraw/zinc/33/12/16/358331216.db2.gz	NMICXYHBBFYZQO-UHFFFAOYSA-N	-1	0	200.215	1.271	10	10		BDCERM
CCCOc1ccc(C(=O)C(=O)C(=O)[O-])cc1	ZINC000077371818	169317335	/nfs/dbraw/zinc/31/73/35/169317335.db2.gz	OXYQEVMXZOHGGS-UHFFFAOYSA-N	-1	0	236.223	1.312	10	10		BDCERM
COc1ccc(N(C)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000019394160	175136088	/nfs/dbraw/zinc/13/60/88/175136088.db2.gz	CKTOJAUGMBKPJS-UHFFFAOYSA-N	-1	0	240.215	1.124	10	10		BDCERM
C[C@@H]([NH2+]CC(=O)[O-])c1ccc(F)cc1[O-]	ZINC000062745593	175864284	/nfs/dbraw/zinc/86/42/84/175864284.db2.gz	AZJMTFSJABXJLV-ZCFIWIBFSA-N	-1	0	213.208	1.267	10	10		BDCERM
O=C([O-])/C=C/c1ccc(N2CCC2)c([N+](=O)[O-])c1	ZINC000384977655	971970480	/nfs/dbraw/zinc/97/04/80/971970480.db2.gz	MLPVJAGODSEREL-HWKANZROSA-N	-1	0	248.238	1.903	10	10		BDCERM
O=C([O-])CC[NH2+]Cc1ccc(F)c(F)c1[O-]	ZINC000703326131	954910628	/nfs/dbraw/zinc/91/06/28/954910628.db2.gz	BIVQSEOQUNKWOV-UHFFFAOYSA-N	-1	0	231.198	1.235	10	10		BDCERM
O=C([O-])c1cnc(SC2COC2)s1	ZINC000307369785	353071239	/nfs/dbraw/zinc/07/12/39/353071239.db2.gz	OJLYNCWRXVLECD-UHFFFAOYSA-N	-1	0	217.271	1.332	10	10		BDCERM
CCOC(=O)Nc1csc(C(=O)OC)c1[O-]	ZINC000584661837	358312624	/nfs/dbraw/zinc/31/26/24/358312624.db2.gz	MIPJSQKDWVMJJD-UHFFFAOYSA-N	-1	0	245.256	1.809	10	10		BDCERM
O=C([O-])[C@H]1Nc2c(O)cccc2[C@H]2C=CC[C@@H]21	ZINC000002387454	383961722	/nfs/dbraw/zinc/96/17/22/383961722.db2.gz	VQPJWSZWDZNVOJ-FDOIEUKUSA-N	-1	0	231.251	1.931	10	10		BDCERM
Cc1cc(O)c2c([O-])c(O)c(=O)cc-2o1	ZINC000014814596	384503744	/nfs/dbraw/zinc/50/37/44/384503744.db2.gz	HEVICQKVVHUFCP-UHFFFAOYSA-N	-1	0	208.169	1.218	10	10		BDCERM
CCCc1cc(OC)c(O)c(O)c1C(=O)[O-]	ZINC000584623788	387502636	/nfs/dbraw/zinc/50/26/36/387502636.db2.gz	OEHDAGOTVSFGQN-UHFFFAOYSA-N	-1	0	226.228	1.757	10	10		BDCERM
O=[N+]([O-])c1cc(O)c([O-])c(Br)c1	ZINC000575687617	398063712	/nfs/dbraw/zinc/06/37/12/398063712.db2.gz	WAICUXBAIUNHBP-UHFFFAOYSA-N	-1	0	234.005	1.769	10	10		BDCERM
CC[C@H]1SC(=S)N([C@@H](C)C(=O)[O-])C1=O	ZINC000072412545	398124767	/nfs/dbraw/zinc/12/47/67/398124767.db2.gz	JDVMTMASNBRKDA-CRCLSJGQSA-N	-1	0	233.314	1.098	10	10		BDCERM
COCCCSc1ncc(C(=O)[O-])s1	ZINC000389295444	972217579	/nfs/dbraw/zinc/21/75/79/972217579.db2.gz	JYHGWQXSAYDOHX-UHFFFAOYSA-N	-1	0	233.314	1.970	10	10		BDCERM
Cc1cc(=O)oc2c(O)c(O)cc(C(=O)[O-])c12	ZINC000039377037	358225672	/nfs/dbraw/zinc/22/56/72/358225672.db2.gz	NLMDNTZVFUXMNT-UHFFFAOYSA-N	-1	0	236.179	1.211	10	10		BDCERM
O=C([O-])C1=NN(c2ccccc2Cl)C(=O)C1	ZINC000100051473	384612096	/nfs/dbraw/zinc/61/20/96/384612096.db2.gz	CXGIZOHEERRFKI-UHFFFAOYSA-N	-1	0	238.630	1.517	10	10		BDCERM
C[C@@H](c1ccccc1O)N(C)C(=O)/C=C/C(=O)[O-]	ZINC000037836132	176025285	/nfs/dbraw/zinc/02/52/85/176025285.db2.gz	XJDPSLHIMOPFDQ-FLOXNTQESA-N	-1	0	249.266	1.552	10	10		BDCERM
O=C([O-])c1cc(F)c([O-])c([C@H]2CCC[NH2+]2)c1	ZINC000072202368	343071562	/nfs/dbraw/zinc/07/15/62/343071562.db2.gz	XXLQZVUCUGXLHH-SECBINFHSA-N	-1	0	225.219	1.654	10	10		BDCERM
Nc1ccc(-n2cccc(C(=O)[O-])c2=O)cc1	ZINC000575419762	387031230	/nfs/dbraw/zinc/03/12/30/387031230.db2.gz	LJDCLJIHYNEQTH-UHFFFAOYSA-N	-1	0	230.223	1.118	10	10		BDCERM
COc1ccc(/N=N/N(C)C)c(C(=O)[O-])c1	ZINC000001761027	175049430	/nfs/dbraw/zinc/04/94/30/175049430.db2.gz	GWOINOIZJZCMFC-VAWYXSNFSA-N	-1	0	223.232	1.954	10	10		BDCERM