smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccccc2C(=O)[O-])cc1	ZINC000004962409	204181257	/nfs/dbraw/zinc/18/12/57/204181257.db2.gz	YFHFNBMDMAXDSL-UHFFFAOYSA-N	-2	0	363.391	2.363	50	0		FEAARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC000048331763	205157895	/nfs/dbraw/zinc/15/78/95/205157895.db2.gz	XSXPRCZGQMIVIW-UHFFFAOYSA-N	-2	0	365.407	2.440	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])C1=CC[C@H]2C(=O)[O-]	ZINC000257348132	549728705	/nfs/dbraw/zinc/72/87/05/549728705.db2.gz	BQNJRUIPWDGFHP-IVWBDYMHSA-N	-2	0	364.438	2.191	50	0		FEAARL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C(F)(F)F	ZINC000546621242	673806943	/nfs/dbraw/zinc/80/69/43/673806943.db2.gz	LNDQXIYYXLJHHG-UHFFFAOYSA-N	-2	0	369.346	2.308	50	0		FEAARL
NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000058184385	205255033	/nfs/dbraw/zinc/25/50/33/205255033.db2.gz	PDWQYMZGIDFNGV-UHFFFAOYSA-N	-2	0	366.376	2.092	50	0		FEAARL
O=C([O-])CNc1c(Br)cc(Br)cc1C(=O)[O-]	ZINC000002529426	206229753	/nfs/dbraw/zinc/22/97/53/206229753.db2.gz	RZZHPWKPCJVULM-UHFFFAOYSA-N	-2	0	352.966	2.406	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])C1=CC[C@H]2C(=O)[O-]	ZINC000254840327	549702232	/nfs/dbraw/zinc/70/22/32/549702232.db2.gz	BQNJRUIPWDGFHP-SHGGDFGISA-N	-2	0	364.438	2.191	50	0		FEAARL
Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s[n-]1	ZINC000647700071	677304851	/nfs/dbraw/zinc/30/48/51/677304851.db2.gz	UAYYMLCQEGQUAM-DTWKUNHWSA-N	-2	0	352.441	2.372	50	0		FEAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1	ZINC000076082355	542231062	/nfs/dbraw/zinc/23/10/62/542231062.db2.gz	OJCNPPMODMBODW-UHFFFAOYSA-N	-2	0	355.803	2.446	50	0		FEAARL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)noc1C	ZINC000267982687	329373879	/nfs/dbraw/zinc/37/38/79/329373879.db2.gz	GWWYPNVHNNRZIW-UHFFFAOYSA-N	-2	0	354.384	2.118	50	0		FEAARL
O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002556456	204044096	/nfs/dbraw/zinc/04/40/96/204044096.db2.gz	KSDTXRUIZMTBNV-INIZCTEOSA-N	-2	0	355.346	2.453	50	0		FEAARL
CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)n1nnc(C(=O)[O-])c1C(=O)[O-]	ZINC000004969657	204180472	/nfs/dbraw/zinc/18/04/72/204180472.db2.gz	ZUVDTSKBTDCLJJ-JTQLQIEISA-N	-2	0	366.761	2.226	50	0		FEAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1	ZINC000058366557	205272971	/nfs/dbraw/zinc/27/29/71/205272971.db2.gz	HLRXLWZGBRYPDU-UHFFFAOYSA-N	-2	0	357.391	2.430	50	0		FEAARL
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000000826888	206134982	/nfs/dbraw/zinc/13/49/82/206134982.db2.gz	AKCDZBMNVBGZKM-HNNXBMFYSA-N	-2	0	373.317	2.381	50	0		FEAARL
Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1C(=O)[O-]	ZINC000076016763	542224234	/nfs/dbraw/zinc/22/42/34/542224234.db2.gz	VZBLTBIEWCIEJV-UHFFFAOYSA-N	-2	0	359.354	2.264	50	0		FEAARL
Cn1c2ccccc2c([O-])c(Cc2c([O-])c3ccccc3n(C)c2=O)c1=O	ZINC000100829409	543026047	/nfs/dbraw/zinc/02/60/47/543026047.db2.gz	JCLGYGPWVWEPSU-UHFFFAOYSA-N	-2	0	362.385	2.392	50	0	endogenous,in-man	FEAARL
C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@H]1CC[C@H]2C(=O)[O-]	ZINC000257348215	549728855	/nfs/dbraw/zinc/72/88/55/549728855.db2.gz	CJYUFWOVLMFZOX-BHLFPSDHSA-N	-2	0	366.454	2.270	50	0		FEAARL
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1	ZINC000013345269	206301496	/nfs/dbraw/zinc/30/14/96/206301496.db2.gz	MPBWPGOKNKLPKZ-FPYGCLRLSA-N	-2	0	361.375	2.356	50	0		FEAARL
CCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000091830371	221802426	/nfs/dbraw/zinc/80/24/26/221802426.db2.gz	JSBRSVFBYQCORS-CQSZACIVSA-N	-2	0	361.441	2.102	50	0		FEAARL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2O)cc1C(=O)[O-]	ZINC000072312997	541798681	/nfs/dbraw/zinc/79/86/81/541798681.db2.gz	IXRYQZJHHLPCSR-UHFFFAOYSA-N	-2	0	362.363	2.162	50	0		FEAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1F)OCCO2	ZINC000013090203	204522256	/nfs/dbraw/zinc/52/22/56/204522256.db2.gz	QIFMXCKMSWAYGV-UHFFFAOYSA-N	-2	0	371.317	2.235	50	0		FEAARL
COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])c(C(=O)[O-])cc1OC	ZINC000070666331	205025322	/nfs/dbraw/zinc/02/53/22/205025322.db2.gz	HEGLLELRKYTVRF-UHFFFAOYSA-N	-2	0	359.334	2.281	50	0		FEAARL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C2CCOCC2)n1	ZINC000656636318	677798843	/nfs/dbraw/zinc/79/88/43/677798843.db2.gz	CVEKATAZPCCLFA-UHFFFAOYSA-N	-2	0	371.440	2.104	50	0		FEAARL
Cc1cc(SC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-])c2ccccc2n1	ZINC000012526590	539563109	/nfs/dbraw/zinc/56/31/09/539563109.db2.gz	GECLDGPLUQRBHM-ZDUSSCGKSA-N	-2	0	362.407	2.070	50	0		FEAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)ccc1F	ZINC000055685715	205223713	/nfs/dbraw/zinc/22/37/13/205223713.db2.gz	AAJGZKSNMQQNTD-UHFFFAOYSA-N	-2	0	353.327	2.096	50	0		FEAARL
CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000013362342	206301977	/nfs/dbraw/zinc/30/19/77/206301977.db2.gz	SWVJSENQRWRARH-UHFFFAOYSA-N	-2	0	352.343	2.283	50	0		FEAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c1	ZINC000096435764	542999425	/nfs/dbraw/zinc/99/94/25/542999425.db2.gz	CONWQAUWCXIITE-UHFFFAOYSA-N	-2	0	374.418	2.422	50	0		FEAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)noc1C1CC1	ZINC000463788100	560824360	/nfs/dbraw/zinc/82/43/60/560824360.db2.gz	PNMSRBXOEGQJDA-UHFFFAOYSA-N	-2	0	366.395	2.297	50	0		FEAARL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cc1)C(=O)[O-]	ZINC000629292947	676841899	/nfs/dbraw/zinc/84/18/99/676841899.db2.gz	AAKLBHJGJZYGEQ-ZDUSSCGKSA-N	-2	0	351.428	2.183	50	0		FEAARL
COc1ccc(-c2c(C)[n-]n3c2nc(CCc2cc(=O)[n-]o2)cc3=O)cc1	ZINC000023232397	539708959	/nfs/dbraw/zinc/70/89/59/539708959.db2.gz	KZTYBKGSZVKQOW-UHFFFAOYSA-N	-2	0	366.377	2.485	50	0		FEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1	ZINC000047030387	209328716	/nfs/dbraw/zinc/32/87/16/209328716.db2.gz	ZIOLIKOPBNOFJB-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
Cn1cnc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)n1	ZINC000096011288	209096888	/nfs/dbraw/zinc/09/68/88/209096888.db2.gz	QDDWOTPWAJWIEN-UHFFFAOYSA-N	-2	0	364.408	2.043	50	0		FEAARL
COc1cc([N-]S(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])cc1OC	ZINC000047214466	209328806	/nfs/dbraw/zinc/32/88/06/209328806.db2.gz	SZDKCYRXCYZECD-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
O=C([O-])CNC(=O)C1[C@@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1	ZINC000004508948	207023358	/nfs/dbraw/zinc/02/33/58/207023358.db2.gz	GFPKMPHIPGSJCZ-MRLCAUJQSA-N	-2	0	353.374	2.085	50	0		FEAARL
CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1	ZINC000656626125	677791502	/nfs/dbraw/zinc/79/15/02/677791502.db2.gz	IPWMBMWLEPGJEN-SNVBAGLBSA-N	-2	0	353.400	2.096	50	0		FEAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1O	ZINC000006623462	539431251	/nfs/dbraw/zinc/43/12/51/539431251.db2.gz	WYFGAPMZRGQTAV-UHFFFAOYSA-N	-2	0	359.306	2.493	50	0		FEAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1F)OCCO2	ZINC000013090267	539583538	/nfs/dbraw/zinc/58/35/38/539583538.db2.gz	PYCLVNWZFGVUKT-UHFFFAOYSA-N	-2	0	371.317	2.235	50	0		FEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1F	ZINC000045947276	209329225	/nfs/dbraw/zinc/32/92/25/209329225.db2.gz	BDISMBRBNAFXSQ-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
COc1cc(OC)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])c1	ZINC000060362429	541107313	/nfs/dbraw/zinc/10/73/13/541107313.db2.gz	DUNFDXYUYAHHKN-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
CCCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n[nH]1	ZINC000079111595	542500964	/nfs/dbraw/zinc/50/09/64/542500964.db2.gz	LDLKTTKDMFCAME-UHFFFAOYSA-N	-2	0	353.400	2.260	50	0		FEAARL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cs1	ZINC000484495920	561298592	/nfs/dbraw/zinc/29/85/92/561298592.db2.gz	CDSICIANQTYTDJ-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)n1	ZINC000426643048	559739496	/nfs/dbraw/zinc/73/94/96/559739496.db2.gz	UKMXBBVOKCFXIO-GFCCVEGCSA-N	-2	0	363.801	2.347	50	0		FEAARL
O=C([O-])c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000003172938	539359568	/nfs/dbraw/zinc/35/95/68/539359568.db2.gz	SZXYEHVLWAFWJJ-HDICACEKSA-N	-2	0	360.318	2.240	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1	ZINC000078815074	542482560	/nfs/dbraw/zinc/48/25/60/542482560.db2.gz	LXFDWDBDQFUBEE-UHFFFAOYSA-N	-2	0	363.317	2.253	50	0		FEAARL
O=C([O-])c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000003172939	539359601	/nfs/dbraw/zinc/35/96/01/539359601.db2.gz	SZXYEHVLWAFWJJ-QZTJIDSGSA-N	-2	0	360.318	2.240	50	0		FEAARL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000012604581	539568023	/nfs/dbraw/zinc/56/80/23/539568023.db2.gz	IZCWQHMHXUQBIU-UHFFFAOYSA-N	-2	0	353.327	2.111	50	0		FEAARL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000026527736	539789231	/nfs/dbraw/zinc/78/92/31/539789231.db2.gz	XNEVSYJRRPSGDA-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC	ZINC000677996524	679708760	/nfs/dbraw/zinc/70/87/60/679708760.db2.gz	MZWFURIRXKCFIZ-UHFFFAOYSA-N	-2	0	367.427	2.053	50	0		FEAARL
CC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000005031124	539400179	/nfs/dbraw/zinc/40/01/79/539400179.db2.gz	QLWNVFNABLFSKF-PTNGSMBKSA-N	-2	0	365.345	2.354	50	0		FEAARL
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000000826887	209377462	/nfs/dbraw/zinc/37/74/62/209377462.db2.gz	AKCDZBMNVBGZKM-OAHLLOKOSA-N	-2	0	373.317	2.381	50	0		FEAARL
O=C([O-])CN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002379492	539347562	/nfs/dbraw/zinc/34/75/62/539347562.db2.gz	LNHILYINDTUUMZ-UHFFFAOYSA-N	-2	0	355.346	2.407	50	0		FEAARL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000096182855	209886349	/nfs/dbraw/zinc/88/63/49/209886349.db2.gz	KRBACRNSYPDOCQ-HNNXBMFYSA-N	-2	0	369.439	2.331	50	0		FEAARL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)n1	ZINC000489025425	561401942	/nfs/dbraw/zinc/40/19/42/561401942.db2.gz	WGOKEVBKRXICSU-LLVKDONJSA-N	-2	0	367.427	2.206	50	0		FEAARL
COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)n1	ZINC000567870907	675331551	/nfs/dbraw/zinc/33/15/51/675331551.db2.gz	XCLOFHKYPFXQSQ-VIFPVBQESA-N	-2	0	371.390	2.037	50	0		FEAARL
Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl	ZINC000003129732	539359742	/nfs/dbraw/zinc/35/97/42/539359742.db2.gz	JAGRWTLXHSHWRT-UHFFFAOYSA-N	-2	0	370.770	2.119	50	0		FEAARL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-]	ZINC000096182857	209886628	/nfs/dbraw/zinc/88/66/28/209886628.db2.gz	KRBACRNSYPDOCQ-OAHLLOKOSA-N	-2	0	369.439	2.331	50	0		FEAARL
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1	ZINC000096305784	542997907	/nfs/dbraw/zinc/99/79/07/542997907.db2.gz	VZPGZBQHTAXBCN-UHFFFAOYSA-N	-2	0	351.380	2.268	50	0		FEAARL
COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000170604828	546163526	/nfs/dbraw/zinc/16/35/26/546163526.db2.gz	XCDGBYNOTXCCTN-UHFFFAOYSA-N	-2	0	369.370	2.350	50	0		FEAARL
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000170601030	546163714	/nfs/dbraw/zinc/16/37/14/546163714.db2.gz	GPQDVAHKHBQWGK-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)[O-])CC(=O)[O-]	ZINC000000001317	210247377	/nfs/dbraw/zinc/24/73/77/210247377.db2.gz	UDUSOMRJOPCWHT-UHFFFAOYSA-N	-2	0	350.415	2.343	50	0	fda	FEAARL
COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1	ZINC000101260810	222267043	/nfs/dbraw/zinc/26/70/43/222267043.db2.gz	HKLDUTJAZFUCGE-HOTGVXAUSA-N	-2	0	352.350	2.202	50	0		FEAARL
CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000012346099	539556270	/nfs/dbraw/zinc/55/62/70/539556270.db2.gz	ONQUDWNJNBNMFH-WBMJQRKESA-N	-2	0	355.412	2.399	50	0		FEAARL
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)s1	ZINC000012605669	539568226	/nfs/dbraw/zinc/56/82/26/539568226.db2.gz	SNZSGBKZALYLEC-UHFFFAOYSA-N	-2	0	355.393	2.327	50	0		FEAARL
COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000024528432	539733917	/nfs/dbraw/zinc/73/39/17/539733917.db2.gz	LAUWDJXZHNGHFT-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1	ZINC000244633760	222925935	/nfs/dbraw/zinc/92/59/35/222925935.db2.gz	GJERZRCRXJEBMW-HNNXBMFYSA-N	-2	0	372.377	2.073	50	0		FEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1	ZINC000047202359	540296545	/nfs/dbraw/zinc/29/65/45/540296545.db2.gz	VQZNAABYLVWOLQ-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
COC(=O)c1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000095455626	542971198	/nfs/dbraw/zinc/97/11/98/542971198.db2.gz	AWQGQTUEQDWLFV-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccn(C2CCOCC2)n1	ZINC000656636563	677798862	/nfs/dbraw/zinc/79/88/62/677798862.db2.gz	MXWSRDSZKQMJRL-UHFFFAOYSA-N	-2	0	365.411	2.042	50	0		FEAARL
Cc1c(O)ccc2c(CC(=O)NCC3CCC(C(=O)[O-])CC3)cc(=O)oc12	ZINC000002105285	539344689	/nfs/dbraw/zinc/34/46/89/539344689.db2.gz	AAGZXUAWWBZQIW-UHFFFAOYSA-N	-2	0	373.405	2.357	50	0	biogenic	FEAARL
Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)sc1C(=O)[O-]	ZINC000055685523	540670955	/nfs/dbraw/zinc/67/09/55/540670955.db2.gz	WDQRZVZPWDGKIV-UHFFFAOYSA-N	-2	0	355.393	2.327	50	0		FEAARL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)F)n1	ZINC000530665665	562419949	/nfs/dbraw/zinc/41/99/49/562419949.db2.gz	HIKFKCHGHJIAPJ-UHFFFAOYSA-N	-2	0	351.356	2.017	50	0		FEAARL
O=C([O-])C[C@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)[O-]	ZINC000003534501	539369578	/nfs/dbraw/zinc/36/95/78/539369578.db2.gz	ZHNSKKAECWOWAJ-VIFPVBQESA-N	-2	0	362.201	2.049	50	0		FEAARL
COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])cc1OC	ZINC000013087519	220057810	/nfs/dbraw/zinc/05/78/10/220057810.db2.gz	ZYSKUFZRVMFWFD-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
O=C([O-])c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)[O-])cc2)cc1	ZINC000003172940	539359436	/nfs/dbraw/zinc/35/94/36/539359436.db2.gz	SZXYEHVLWAFWJJ-ROUUACIJSA-N	-2	0	360.318	2.240	50	0		FEAARL
O=C([O-])CSc1nc2[nH]c3c(c2c(SCC(=O)[O-])n1)CCCC3	ZINC000002286530	210388173	/nfs/dbraw/zinc/38/81/73/210388173.db2.gz	FKBAGZZGTHHSIH-UHFFFAOYSA-N	-2	0	353.425	2.190	50	0		FEAARL
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000677185571	679666445	/nfs/dbraw/zinc/66/64/45/679666445.db2.gz	ZTXFXMJHURLFDM-UHFFFAOYSA-N	-2	0	355.391	2.183	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C(=O)[O-])[C@H]1CC[C@H]2C(=O)[O-]	ZINC000257348216	223073729	/nfs/dbraw/zinc/07/37/29/223073729.db2.gz	CJYUFWOVLMFZOX-QUVJNAKSSA-N	-2	0	366.454	2.270	50	0		FEAARL
O=C([O-])c1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)c1	ZINC000091848727	542828464	/nfs/dbraw/zinc/82/84/64/542828464.db2.gz	SXRGYQYTHYWHHX-JKSUJKDBSA-N	-2	0	357.337	2.464	50	0		FEAARL
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)[O-])cc1)c2=O	ZINC000032959323	539961209	/nfs/dbraw/zinc/96/12/09/539961209.db2.gz	BSHCEEVOKPQYAJ-UHFFFAOYSA-N	-2	0	370.386	2.218	50	0		FEAARL
O=C([O-])CCc1cc2n(n1)CCCN(c1ncc(C(=O)[O-])cc1Cl)C2	ZINC000072447391	541815690	/nfs/dbraw/zinc/81/56/90/541815690.db2.gz	JESZYZWHSRFPHD-UHFFFAOYSA-N	-2	0	364.789	2.057	50	0		FEAARL
CCOc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1OCC(=O)[O-]	ZINC000012916344	211007753	/nfs/dbraw/zinc/00/77/53/211007753.db2.gz	KAOYJQOLDWWHDZ-UHFFFAOYSA-N	-2	0	373.361	2.177	50	0		FEAARL
COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(F)cccc2F)c1OC	ZINC000072306287	221460724	/nfs/dbraw/zinc/46/07/24/221460724.db2.gz	SEJCZIUWYHHYCY-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
C[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000095970093	542984697	/nfs/dbraw/zinc/98/46/97/542984697.db2.gz	FOVDDRRLYBLYSW-SNVBAGLBSA-N	-2	0	368.436	2.094	50	0		FEAARL
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12	ZINC000095961601	221982340	/nfs/dbraw/zinc/98/23/40/221982340.db2.gz	RIJNOZBBMFIUHA-UHFFFAOYSA-N	-2	0	353.306	2.340	50	0		FEAARL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)cc1)C(=O)[O-]	ZINC000187047711	548248064	/nfs/dbraw/zinc/24/80/64/548248064.db2.gz	ASQADNSQFLXMDI-AWEZNQCLSA-N	-2	0	365.455	2.491	50	0		FEAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1	ZINC000035349181	539980863	/nfs/dbraw/zinc/98/08/63/539980863.db2.gz	YSRDVMCSNAPEHT-UHFFFAOYSA-N	-2	0	360.391	2.078	50	0		FEAARL
CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000484978731	561309788	/nfs/dbraw/zinc/30/97/88/561309788.db2.gz	SGVMTKFMIKSORU-UHFFFAOYSA-N	-2	0	365.411	2.116	50	0		FEAARL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)n1	ZINC000489032917	561401888	/nfs/dbraw/zinc/40/18/88/561401888.db2.gz	AHPNVFUMCOZXGK-LLVKDONJSA-N	-2	0	367.427	2.206	50	0		FEAARL
O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002440513	539347854	/nfs/dbraw/zinc/34/78/54/539347854.db2.gz	QJRQSKXFWWADBJ-CMDGGOBGSA-N	-2	0	354.318	2.216	50	0		FEAARL
Cc1cc(C(=O)N(Cc2ccccc2)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000151594260	544560515	/nfs/dbraw/zinc/56/05/15/544560515.db2.gz	UHCJMHBVHLNOJZ-UHFFFAOYSA-N	-2	0	352.394	2.383	50	0		FEAARL
COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000170604825	546163074	/nfs/dbraw/zinc/16/30/74/546163074.db2.gz	DTKIILGDQBCVPB-UHFFFAOYSA-N	-2	0	369.370	2.350	50	0		FEAARL
Cc1c(O)ccc2c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc12	ZINC000002098976	539345087	/nfs/dbraw/zinc/34/50/87/539345087.db2.gz	NVUSCGNULWDBOO-SFHVURJKSA-N	-2	0	367.357	2.292	50	0	biogenic	FEAARL
O=C([O-])c1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1	ZINC000005590921	539412721	/nfs/dbraw/zinc/41/27/21/539412721.db2.gz	MISHZJJICXGDAI-UHFFFAOYSA-N	-2	0	354.362	2.045	50	0		FEAARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000007056467	539447053	/nfs/dbraw/zinc/44/70/53/539447053.db2.gz	ICYIHNITNHCQRR-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000011865662	539537319	/nfs/dbraw/zinc/53/73/19/539537319.db2.gz	DGKFDADMJOAQJL-OAHLLOKOSA-N	-2	0	367.785	2.228	50	0		FEAARL
COc1ccc(CCNC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])cc1OC	ZINC000008714608	219866771	/nfs/dbraw/zinc/86/67/71/219866771.db2.gz	IWKHDCYZQVSCAM-UHFFFAOYSA-N	-2	0	373.361	2.073	50	0		FEAARL
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(C(=O)[O-])s2)c1	ZINC000071771528	221373551	/nfs/dbraw/zinc/37/35/51/221373551.db2.gz	UAOJSHKVYOHOPJ-UHFFFAOYSA-N	-2	0	369.420	2.498	50	0		FEAARL
Nc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl	ZINC000003833246	539373192	/nfs/dbraw/zinc/37/31/92/539373192.db2.gz	JYSOXSKGHTYTRW-UHFFFAOYSA-N	-2	0	370.770	2.119	50	0		FEAARL
Cc1nn(CC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1c(C)cccc1Cl	ZINC000055182944	221060660	/nfs/dbraw/zinc/06/06/60/221060660.db2.gz	XRNODLXHNYEHKQ-UHFFFAOYSA-N	-2	0	357.819	2.347	50	0		FEAARL
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1	ZINC000089984871	542780547	/nfs/dbraw/zinc/78/05/47/542780547.db2.gz	UNDBKFMGJFEHIY-UHFFFAOYSA-N	-2	0	364.379	2.066	50	0		FEAARL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1C	ZINC000582647336	672020999	/nfs/dbraw/zinc/02/09/99/672020999.db2.gz	RPNNOIOSQKIJPD-SNVBAGLBSA-N	-2	0	371.440	2.022	50	0		FEAARL
NC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)ccc1[O-]	ZINC000002849816	539354861	/nfs/dbraw/zinc/35/48/61/539354861.db2.gz	GMLZPGWZDYJMIQ-UHFFFAOYSA-N	-2	0	371.212	2.054	50	0		FEAARL
COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1OC	ZINC000026527720	539789158	/nfs/dbraw/zinc/78/91/58/539789158.db2.gz	YWZSLCACPXKAIS-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
COc1cc(OC)c([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])c1	ZINC000060362428	221130142	/nfs/dbraw/zinc/13/01/42/221130142.db2.gz	CLBONYFPANQVIE-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
COC(=O)c1cscc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000095455628	542971125	/nfs/dbraw/zinc/97/11/25/542971125.db2.gz	KKHGOQCHEYVRGO-UHFFFAOYSA-N	-2	0	361.422	2.404	50	0		FEAARL
COC(=O)c1cscc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000095455623	542971265	/nfs/dbraw/zinc/97/12/65/542971265.db2.gz	BKZRXBGEMNTESA-UHFFFAOYSA-N	-2	0	369.420	2.353	50	0		FEAARL
CCc1nn(C)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000272772804	550470361	/nfs/dbraw/zinc/47/03/61/550470361.db2.gz	VKMAAFKMQSLQDE-UHFFFAOYSA-N	-2	0	365.455	2.336	50	0		FEAARL
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000005101473	539402277	/nfs/dbraw/zinc/40/22/77/539402277.db2.gz	FIEGWROUEMSNIZ-ZSOIEALJSA-N	-2	0	368.345	2.153	50	0		FEAARL
COc1cc(F)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1OC	ZINC000047202397	220989372	/nfs/dbraw/zinc/98/93/72/220989372.db2.gz	JIIWODORBUXBBC-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
O=C([O-])Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1	ZINC000101388176	222273262	/nfs/dbraw/zinc/27/32/62/222273262.db2.gz	PNAJYMUHFHBDDH-UHFFFAOYSA-N	-2	0	364.357	2.143	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O	ZINC000170597590	546163939	/nfs/dbraw/zinc/16/39/39/546163939.db2.gz	YEDBSIKISNCLBE-CQSZACIVSA-N	-2	0	363.391	2.310	50	0		FEAARL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)[O-]	ZINC000484979169	561309797	/nfs/dbraw/zinc/30/97/97/561309797.db2.gz	UVTAQGSUQPMZIT-ZDUSSCGKSA-N	-2	0	363.439	2.283	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C(=O)[O-])C1=CC[C@H]2C(=O)[O-]	ZINC000254840325	549702138	/nfs/dbraw/zinc/70/21/38/549702138.db2.gz	BQNJRUIPWDGFHP-GZBJJQBTSA-N	-2	0	364.438	2.191	50	0		FEAARL
O=C([O-])c1cc(NC(=O)c2nccnc2C(=O)[O-])c(Cl)cc1Cl	ZINC000095476848	542973350	/nfs/dbraw/zinc/97/33/50/542973350.db2.gz	QMSXQMVYANWVLC-UHFFFAOYSA-N	-2	0	356.121	2.432	50	0		FEAARL
O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002244302	539346398	/nfs/dbraw/zinc/34/63/98/539346398.db2.gz	KSDTXRUIZMTBNV-MRXNPFEDSA-N	-2	0	355.346	2.453	50	0		FEAARL
COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000007709029	539464530	/nfs/dbraw/zinc/46/45/30/539464530.db2.gz	PWVRTHBSWXYEKY-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1	ZINC000012552615	539565962	/nfs/dbraw/zinc/56/59/62/539565962.db2.gz	OYWIPTAAGGRFBG-UHFFFAOYSA-N	-2	0	360.391	2.312	50	0		FEAARL
CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1	ZINC000244633761	222925858	/nfs/dbraw/zinc/92/58/58/222925858.db2.gz	GJERZRCRXJEBMW-OAHLLOKOSA-N	-2	0	372.377	2.073	50	0		FEAARL
O=C([O-])[C@@H]1[C@@H](C(=O)[O-])N(Cc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000006096317	219714223	/nfs/dbraw/zinc/71/42/23/219714223.db2.gz	QSMUFXXTSUEZJA-HOTGVXAUSA-N	-2	0	354.362	2.031	50	0		FEAARL
Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1	ZINC000066813769	541374904	/nfs/dbraw/zinc/37/49/04/541374904.db2.gz	BJTKCEGBSVPKPY-UHFFFAOYSA-N	-2	0	350.183	2.226	50	0		FEAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000048354318	221010320	/nfs/dbraw/zinc/01/03/20/221010320.db2.gz	VOCPAFOXJYHUMM-UHFFFAOYSA-N	-2	0	357.334	2.401	50	0		FEAARL
Cc1cc(C)c(NC(=O)CCC(=O)[O-])c(C)c1NC(=O)CCC(=O)[O-]	ZINC000000176896	539331621	/nfs/dbraw/zinc/33/16/21/539331621.db2.gz	OWYFEBIAEPEWNK-UHFFFAOYSA-N	-2	0	350.371	2.218	50	0		FEAARL
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(OC)c1	ZINC000007057312	539446572	/nfs/dbraw/zinc/44/65/72/539446572.db2.gz	ZNKPRPAGEALCJN-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccccc1F)OCCO2	ZINC000012541644	539564885	/nfs/dbraw/zinc/56/48/85/539564885.db2.gz	BKCHAKDOMIJUKI-UHFFFAOYSA-N	-2	0	353.327	2.096	50	0		FEAARL
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-]	ZINC000024433034	539731637	/nfs/dbraw/zinc/73/16/37/539731637.db2.gz	BEJJHEUPDOGCRC-UHFFFAOYSA-N	-2	0	353.327	2.331	50	0		FEAARL
O=C([O-])c1ccccc1OC(=O)CCC(=O)Oc1ccccc1C(=O)[O-]	ZINC000004978944	204182423	/nfs/dbraw/zinc/18/24/23/204182423.db2.gz	PREOBXYMXLETCA-UHFFFAOYSA-N	-2	0	358.302	2.374	50	0		FEAARL
COc1cccc([C@@H]2CN(C(=O)c3ccc(C(=O)[O-])cc3)C[C@H]2C(=O)[O-])c1	ZINC000091665371	205686898	/nfs/dbraw/zinc/68/68/98/205686898.db2.gz	NRRYSDGELBBJEX-DLBZAZTESA-N	-2	0	369.373	2.334	50	0		FEAARL
COc1cc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1OC(C)=O	ZINC000000692519	539332443	/nfs/dbraw/zinc/33/24/43/539332443.db2.gz	HBJJTVBAMYHOBC-UHFFFAOYSA-N	-2	0	373.317	2.269	50	0		FEAARL
O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc2nnn([O-])c2c1	ZINC000002659246	204051183	/nfs/dbraw/zinc/05/11/83/204051183.db2.gz	WNRJSGYYMMEUSS-UHFFFAOYSA-N	-2	0	356.310	2.071	50	0		FEAARL
CC1(C)[C@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000012346116	204453975	/nfs/dbraw/zinc/45/39/75/204453975.db2.gz	ONQUDWNJNBNMFH-BLLLJJGKSA-N	-2	0	355.412	2.399	50	0		FEAARL
COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2OC)c(C(=O)[O-])c1	ZINC000058245014	205267412	/nfs/dbraw/zinc/26/74/12/205267412.db2.gz	DXHDOSKCOORGKT-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
O=C([O-])COc1cc([O-])c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O	ZINC000020111246	206327537	/nfs/dbraw/zinc/32/75/37/206327537.db2.gz	YLPRMPHWVXULJH-UHFFFAOYSA-N	-2	0	370.313	2.400	50	0		FEAARL
COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1F	ZINC000170073056	571261740	/nfs/dbraw/zinc/26/17/40/571261740.db2.gz	NKQRRUKGBIEMRJ-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
CC1(C)[C@@H](C(=O)[O-])CC[C@]1(C)C(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000012346110	539556137	/nfs/dbraw/zinc/55/61/37/539556137.db2.gz	ONQUDWNJNBNMFH-MLGOLLRUSA-N	-2	0	355.412	2.399	50	0		FEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1	ZINC000032810994	539954570	/nfs/dbraw/zinc/95/45/70/539954570.db2.gz	SKEPEXNSZGNWRR-UHFFFAOYSA-N	-2	0	355.393	2.408	50	0		FEAARL
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccccc2C(=O)[O-])c1	ZINC000071681264	541768136	/nfs/dbraw/zinc/76/81/36/541768136.db2.gz	PFRCWDHIDALUPO-UHFFFAOYSA-N	-2	0	363.391	2.437	50	0		FEAARL
CCOC(=O)N=c1[n-]nc(Cc2n[n-]c(=NC(=O)OCC)s2)s1	ZINC000004109095	204121620	/nfs/dbraw/zinc/12/16/20/204121620.db2.gz	YDLYBNBLZICZPN-UHFFFAOYSA-N	-2	0	358.405	2.117	50	0		FEAARL
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000040071339	205052659	/nfs/dbraw/zinc/05/26/59/205052659.db2.gz	XKWDCCJKUGTQFG-UHFFFAOYSA-N	-2	0	361.832	2.294	50	0		FEAARL
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCCCC(=O)[O-])c2=O	ZINC000002969911	206157541	/nfs/dbraw/zinc/15/75/41/206157541.db2.gz	XMPLMDFRCFNLJA-UHFFFAOYSA-N	-2	0	350.396	2.491	50	0		FEAARL
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013300739	206301831	/nfs/dbraw/zinc/30/18/31/206301831.db2.gz	VMAFZGXVNBDALP-UHFFFAOYSA-N	-2	0	370.408	2.214	50	0		FEAARL
O=C([O-])COc1cc(OCC(=O)[O-])c2c(c1)oc(=O)cc2-c1ccccc1	ZINC000000942393	539335672	/nfs/dbraw/zinc/33/56/72/539335672.db2.gz	HHZXEPBSXHXMSV-UHFFFAOYSA-N	-2	0	370.313	2.387	50	0	biogenic	FEAARL
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000013059513	539583498	/nfs/dbraw/zinc/58/34/98/539583498.db2.gz	PZJKPZKTAXPOKU-UHFFFAOYSA-N	-2	0	364.379	2.153	50	0		FEAARL
COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000015012696	539609295	/nfs/dbraw/zinc/60/92/95/539609295.db2.gz	DCCMODPUGGYYCH-ZSOIEALJSA-N	-2	0	368.345	2.153	50	0		FEAARL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)cc1C(=O)[O-]	ZINC000032090613	539929297	/nfs/dbraw/zinc/92/92/97/539929297.db2.gz	VXGXUJBQLODWEQ-UHFFFAOYSA-N	-2	0	362.407	2.196	50	0		FEAARL
O=C([O-])/C=C/C(=O)OCCCCCCCCCCOC(=O)/C=C\C(=O)[O-]	ZINC000108903851	206042151	/nfs/dbraw/zinc/04/21/51/206042151.db2.gz	MUIVCYSAOWLAIZ-DSOJMZEYSA-N	-2	0	370.398	2.475	50	0		FEAARL
CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000091021316	542790812	/nfs/dbraw/zinc/79/08/12/542790812.db2.gz	TYABLZHYOUYNNR-UHFFFAOYSA-N	-2	0	357.819	2.443	50	0		FEAARL
CCc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1CC1CC1	ZINC000663255649	678709766	/nfs/dbraw/zinc/70/97/66/678709766.db2.gz	DVGOIPGZUMNVKW-UHFFFAOYSA-N	-2	0	367.402	2.494	50	0		FEAARL
O=C([O-])CNC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@H]1c1ccccc1	ZINC000004508946	204143418	/nfs/dbraw/zinc/14/34/18/204143418.db2.gz	GFPKMPHIPGSJCZ-VYMRPNJYSA-N	-2	0	353.374	2.085	50	0		FEAARL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)cc1)C(=O)[O-]	ZINC000484979167	561309823	/nfs/dbraw/zinc/30/98/23/561309823.db2.gz	UVTAQGSUQPMZIT-CYBMUJFWSA-N	-2	0	363.439	2.283	50	0		FEAARL
Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C	ZINC000285196189	551718918	/nfs/dbraw/zinc/71/89/18/551718918.db2.gz	SJVIXRFPTUIQRY-UHFFFAOYSA-N	-2	0	353.400	2.015	50	0		FEAARL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cc1)C(=O)[O-]	ZINC000629292946	676841886	/nfs/dbraw/zinc/84/18/86/676841886.db2.gz	AAKLBHJGJZYGEQ-CYBMUJFWSA-N	-2	0	351.428	2.183	50	0		FEAARL
CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1	ZINC000656626124	677791507	/nfs/dbraw/zinc/79/15/07/677791507.db2.gz	IPWMBMWLEPGJEN-JTQLQIEISA-N	-2	0	353.400	2.096	50	0		FEAARL
Cc1c(C)c(C)c(NC(=O)/C=C/C(=O)[O-])c(NC(=O)/C=C/C(=O)[O-])c1C	ZINC000003119385	204078777	/nfs/dbraw/zinc/07/87/77/204078777.db2.gz	VVALNJQDUQWVNL-KQQUZDAGSA-N	-2	0	360.366	2.079	50	0		FEAARL
O=C([O-])CCc1nnc(SCc2ccc(Br)cc2)[n-]c1=O	ZINC000004317175	204133102	/nfs/dbraw/zinc/13/31/02/204133102.db2.gz	LLVHUKMGVUTUGI-UHFFFAOYSA-N	-2	0	370.228	2.237	50	0		FEAARL
O=C([O-])[C@H]1[C@H](C(=O)[O-])N(Cc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000006096324	204237435	/nfs/dbraw/zinc/23/74/35/204237435.db2.gz	QSMUFXXTSUEZJA-HZPDHXFCSA-N	-2	0	354.362	2.031	50	0		FEAARL
Cc1[nH]c(=O)c(C(=O)c2cc(Br)ccc2[O-])cc1C(=O)[O-]	ZINC000006694193	204260326	/nfs/dbraw/zinc/26/03/26/204260326.db2.gz	CFWIDQWDROMJJL-UHFFFAOYSA-N	-2	0	352.140	2.081	50	0		FEAARL
CCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000091830370	542827622	/nfs/dbraw/zinc/82/76/22/542827622.db2.gz	JSBRSVFBYQCORS-AWEZNQCLSA-N	-2	0	361.441	2.102	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c2ccccc2oc1C(N)=O	ZINC000023883422	539721636	/nfs/dbraw/zinc/72/16/36/539721636.db2.gz	UUOAJQHGHLDBJS-UHFFFAOYSA-N	-2	0	374.374	2.339	50	0		FEAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCOCC1	ZINC000032962214	539961172	/nfs/dbraw/zinc/96/11/72/539961172.db2.gz	POAPDUDUDJEQDG-UHFFFAOYSA-N	-2	0	368.436	2.084	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@H]1CC[C@H]2C(=O)[O-]	ZINC000257348218	549728875	/nfs/dbraw/zinc/72/88/75/549728875.db2.gz	CJYUFWOVLMFZOX-XHETVWOSSA-N	-2	0	366.454	2.270	50	0		FEAARL
Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1	ZINC000463781167	560824083	/nfs/dbraw/zinc/82/40/83/560824083.db2.gz	HMMXTUQZGUVDJC-UHFFFAOYSA-N	-2	0	370.358	2.264	50	0		FEAARL
Cc1c(C)c(NC(=O)/C=C/C(=O)[O-])c(C)c(C)c1NC(=O)/C=C/C(=O)[O-]	ZINC000001735869	204018024	/nfs/dbraw/zinc/01/80/24/204018024.db2.gz	QGURKEDVMAPLBA-KQQUZDAGSA-N	-2	0	360.366	2.079	50	0		FEAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1	ZINC000012816206	206297598	/nfs/dbraw/zinc/29/75/98/206297598.db2.gz	ZHBTUDCEOZBWFA-UHFFFAOYSA-N	-2	0	359.356	2.173	50	0		FEAARL
O=C([O-])CNC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000239305943	527612794	/nfs/dbraw/zinc/61/27/94/527612794.db2.gz	GFPKMPHIPGSJCZ-USTZCAOPSA-N	-2	0	353.374	2.085	50	0		FEAARL
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C(=O)[O-])C1=CC[C@H]2C(=O)[O-]	ZINC000257348131	549729005	/nfs/dbraw/zinc/72/90/05/549729005.db2.gz	BQNJRUIPWDGFHP-INEDDVPMSA-N	-2	0	364.438	2.191	50	0		FEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1	ZINC000004001817	539375061	/nfs/dbraw/zinc/37/50/61/539375061.db2.gz	KRVAMTIHIOPOLY-UHFFFAOYSA-N	-2	0	351.380	2.132	50	0		FEAARL
O=C([O-])COc1cc(OCC(=O)[O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000004073414	207000078	/nfs/dbraw/zinc/00/00/78/207000078.db2.gz	IGCSSLDDCHLXGL-UHFFFAOYSA-N	-2	0	370.313	2.387	50	0	in-man	FEAARL
Cc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)[O-])cc3[nH]c2=O)cc1	ZINC000004169997	207005221	/nfs/dbraw/zinc/00/52/21/207005221.db2.gz	OXSWMKYTXNYKRA-UHFFFAOYSA-N	-2	0	359.359	2.073	50	0		FEAARL
O=C([O-])CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000004885428	207059025	/nfs/dbraw/zinc/05/90/25/207059025.db2.gz	GHLCQQSYRJBFLS-UHFFFAOYSA-N	-2	0	356.334	2.440	50	0		FEAARL
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccs2)c(OC)c1OC	ZINC000008718241	207243965	/nfs/dbraw/zinc/24/39/65/207243965.db2.gz	DNJUKHZLOKBIDP-UHFFFAOYSA-N	-2	0	373.408	2.273	50	0		FEAARL
COc1cc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000170601024	209541611	/nfs/dbraw/zinc/54/16/11/209541611.db2.gz	UNHPIVZIKLHEMZ-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
O=C([O-])c1ccnc(-c2cc(C(=O)[O-])cc(-c3cc(C(=O)[O-])ccn3)n2)c1	ZINC000035654093	208132573	/nfs/dbraw/zinc/13/25/73/208132573.db2.gz	NTXWAWVRPLVLKC-UHFFFAOYSA-N	-3	0	365.301	2.300	50	0		FEAARL
CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000091021725	542790846	/nfs/dbraw/zinc/79/08/46/542790846.db2.gz	LCVZACCDZYEWLV-UHFFFAOYSA-N	-2	0	357.819	2.443	50	0		FEAARL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H]2CCOC2)c1C	ZINC000582647335	672021074	/nfs/dbraw/zinc/02/10/74/672021074.db2.gz	RPNNOIOSQKIJPD-JTQLQIEISA-N	-2	0	371.440	2.022	50	0		FEAARL
COC[C@@H](C)n1ccc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)n1	ZINC000567870906	675331542	/nfs/dbraw/zinc/33/15/42/675331542.db2.gz	XCLOFHKYPFXQSQ-SECBINFHSA-N	-2	0	371.390	2.037	50	0		FEAARL
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)sc1C(=O)[O-]	ZINC000045774641	209329412	/nfs/dbraw/zinc/32/94/12/209329412.db2.gz	NAKHFGPOQLOWKE-UHFFFAOYSA-N	-2	0	355.393	2.327	50	0		FEAARL
CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C	ZINC000076041166	542227075	/nfs/dbraw/zinc/22/70/75/542227075.db2.gz	RVEQGKCJTGRGII-UHFFFAOYSA-N	-2	0	355.391	2.466	50	0		FEAARL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])N(Cc2ccccc2)C(=O)N1Cc1ccccc1	ZINC000006096316	207129453	/nfs/dbraw/zinc/12/94/53/207129453.db2.gz	QSMUFXXTSUEZJA-IYBDPMFKSA-N	-2	0	354.362	2.031	50	0		FEAARL
Cc1ccc(S(=O)(=O)[N-]c2c3ccccc3oc2C(N)=O)cc1C(=O)[O-]	ZINC000014672510	207523160	/nfs/dbraw/zinc/52/31/60/207523160.db2.gz	RAUYRWQSZUHLKT-UHFFFAOYSA-N	-2	0	374.374	2.339	50	0		FEAARL
Cc1c(O)ccc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc12	ZINC000002098276	539344913	/nfs/dbraw/zinc/34/49/13/539344913.db2.gz	SZFVOYUIBASGIE-UHFFFAOYSA-N	-2	0	361.394	2.419	50	0	biogenic	FEAARL
O=C([O-])CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002736567	539351883	/nfs/dbraw/zinc/35/18/83/539351883.db2.gz	NHJYQRNRXQVGBW-UHFFFAOYSA-N	-2	0	369.424	2.137	50	0		FEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(OC)c1	ZINC000001050066	219359071	/nfs/dbraw/zinc/35/90/71/219359071.db2.gz	XUYMOMCZANCCQH-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)sc3c2)c1	ZINC000072306282	541798208	/nfs/dbraw/zinc/79/82/08/541798208.db2.gz	PKMDVCVYMKAFQC-UHFFFAOYSA-N	-2	0	356.406	2.150	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1	ZINC000036386007	208158967	/nfs/dbraw/zinc/15/89/67/208158967.db2.gz	ZYVNOQKKSNOTQD-UHFFFAOYSA-N	-2	0	374.418	2.386	50	0		FEAARL
CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1	ZINC000072307284	208828995	/nfs/dbraw/zinc/82/89/95/208828995.db2.gz	IXZJURHNPQGLKL-UHFFFAOYSA-N	-2	0	351.380	2.468	50	0		FEAARL
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1C(=O)[O-]	ZINC000078938835	542489051	/nfs/dbraw/zinc/48/90/51/542489051.db2.gz	JORXKXLKHQFXIY-UHFFFAOYSA-N	-2	0	365.363	2.206	50	0		FEAARL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)cc1)C(=O)[O-]	ZINC000187047730	327999084	/nfs/dbraw/zinc/99/90/84/327999084.db2.gz	ASQADNSQFLXMDI-CQSZACIVSA-N	-2	0	365.455	2.491	50	0		FEAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1	ZINC000095428144	209048998	/nfs/dbraw/zinc/04/89/98/209048998.db2.gz	GRNQCHWWOAVGPX-UHFFFAOYSA-N	-2	0	363.317	2.421	50	0		FEAARL
CCCC[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-]	ZINC000002108240	539344892	/nfs/dbraw/zinc/34/48/92/539344892.db2.gz	ZXOHMCLAHRPJCP-HNNXBMFYSA-N	-2	0	361.394	2.499	50	0	biogenic	FEAARL
O=C([O-])C[C@@H](SCC(=O)Nc1ccc(Br)cc1)C(=O)[O-]	ZINC000003534503	539369955	/nfs/dbraw/zinc/36/99/55/539369955.db2.gz	ZHNSKKAECWOWAJ-SECBINFHSA-N	-2	0	362.201	2.049	50	0		FEAARL
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000023806035	539720680	/nfs/dbraw/zinc/72/06/80/539720680.db2.gz	HJDWABBLPPMDIT-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1F	ZINC000170593702	546162461	/nfs/dbraw/zinc/16/24/61/546162461.db2.gz	BKYJTNHXQGOACI-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)nc1C	ZINC000543662018	673659289	/nfs/dbraw/zinc/65/92/89/673659289.db2.gz	IYBWVHNZKIWJGK-NSHDSACASA-N	-2	0	351.428	2.275	50	0		FEAARL
COc1cc(OC)cc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1	ZINC000101260812	209222656	/nfs/dbraw/zinc/22/26/56/209222656.db2.gz	HKLDUTJAZFUCGE-CVEARBPZSA-N	-2	0	352.350	2.202	50	0		FEAARL
Cc1cc(S(=O)(=O)[N-]c2ccn(C3CCOCC3)n2)ccc1C(=O)[O-]	ZINC000656636471	677798639	/nfs/dbraw/zinc/79/86/39/677798639.db2.gz	HQEYOXKZCUVQFA-UHFFFAOYSA-N	-2	0	365.411	2.042	50	0		FEAARL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc(OC)c1	ZINC000001050063	219358478	/nfs/dbraw/zinc/35/84/78/219358478.db2.gz	NLCBCHQEGYMYBT-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1	ZINC000063877058	541190723	/nfs/dbraw/zinc/19/07/23/541190723.db2.gz	XMDYFUAKWQZWBS-UHFFFAOYSA-N	-2	0	360.750	2.382	50	0		FEAARL
O=C([O-])/C=C/C(=O)OCCCCCCCCCCOC(=O)/C=C/C(=O)[O-]	ZINC000006157421	207132137	/nfs/dbraw/zinc/13/21/37/207132137.db2.gz	MUIVCYSAOWLAIZ-WGDLNXRISA-N	-2	0	370.398	2.475	50	0		FEAARL
Cc1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])cc1Cl	ZINC000008990311	207254221	/nfs/dbraw/zinc/25/42/21/207254221.db2.gz	JCYNTNGZTKZTHN-UHFFFAOYSA-N	-2	0	355.714	2.469	50	0		FEAARL
C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000095970092	209090780	/nfs/dbraw/zinc/09/07/80/209090780.db2.gz	FOVDDRRLYBLYSW-JTQLQIEISA-N	-2	0	368.436	2.094	50	0		FEAARL
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1CC(F)(F)F	ZINC000416964490	559340617	/nfs/dbraw/zinc/34/06/17/559340617.db2.gz	XCMQEDLWWYTSJM-UHFFFAOYSA-N	-2	0	369.346	2.314	50	0		FEAARL
CC[C@H](C(=O)Nc1cc(Cl)ccc1C)n1nnc(C(=O)[O-])c1C(=O)[O-]	ZINC000004969658	210586136	/nfs/dbraw/zinc/58/61/36/210586136.db2.gz	ZUVDTSKBTDCLJJ-SNVBAGLBSA-N	-2	0	366.761	2.226	50	0		FEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1	ZINC000023819053	220435385	/nfs/dbraw/zinc/43/53/85/220435385.db2.gz	WFQKNEJSQUVJOV-UHFFFAOYSA-N	-2	0	366.420	2.139	50	0		FEAARL
CCn1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(F)(F)F	ZINC000410402097	558755480	/nfs/dbraw/zinc/75/54/80/558755480.db2.gz	HTDRGLQIIRRAGS-UHFFFAOYSA-N	-2	0	369.346	2.482	50	0		FEAARL
O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3ccc([O-])c(Cl)c3)C2)n1	ZINC000426643049	559739509	/nfs/dbraw/zinc/73/95/09/559739509.db2.gz	UKMXBBVOKCFXIO-LBPRGKRZSA-N	-2	0	363.801	2.347	50	0		FEAARL
C[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000653542515	677536578	/nfs/dbraw/zinc/53/65/78/677536578.db2.gz	SWEASLBQTKYHCO-HRDYMLBCSA-N	-2	0	360.336	2.174	50	0		FEAARL
Cc1cc(SC[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-])c2ccccc2n1	ZINC000012526589	539563691	/nfs/dbraw/zinc/56/36/91/539563691.db2.gz	GECLDGPLUQRBHM-CYBMUJFWSA-N	-2	0	362.407	2.070	50	0		FEAARL
C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C(=O)[O-])[C@H]1CC[C@H]2C(=O)[O-]	ZINC000257348217	223073362	/nfs/dbraw/zinc/07/33/62/223073362.db2.gz	CJYUFWOVLMFZOX-QVIXOJIWSA-N	-2	0	366.454	2.270	50	0		FEAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2	ZINC000065548200	221232618	/nfs/dbraw/zinc/23/26/18/221232618.db2.gz	WSFRZKKPCLPHTQ-UHFFFAOYSA-N	-2	0	363.391	2.058	50	0		FEAARL
COc1cccc([C@@H]2CN(C(=O)c3cccc(C(=O)[O-])c3)C[C@H]2C(=O)[O-])c1	ZINC000091943894	542833146	/nfs/dbraw/zinc/83/31/46/542833146.db2.gz	QPDLEJUXOQFWRZ-DLBZAZTESA-N	-2	0	369.373	2.334	50	0		FEAARL
COC[C@H](C)n1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)n1	ZINC000489025427	561401907	/nfs/dbraw/zinc/40/19/07/561401907.db2.gz	WGOKEVBKRXICSU-NSHDSACASA-N	-2	0	367.427	2.206	50	0		FEAARL
CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1	ZINC000426604587	559738747	/nfs/dbraw/zinc/73/87/47/559738747.db2.gz	RWUXHCYQVNGLQJ-UHFFFAOYSA-N	-2	0	364.398	2.035	50	0		FEAARL
COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000647129637	677295821	/nfs/dbraw/zinc/29/58/21/677295821.db2.gz	PCRZRICTPKBUOC-UHFFFAOYSA-N	-2	0	367.427	2.225	50	0		FEAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1)OCCO2	ZINC000012548405	539564712	/nfs/dbraw/zinc/56/47/12/539564712.db2.gz	FDWZAMSNHGCJKB-UHFFFAOYSA-N	-2	0	371.317	2.235	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F	ZINC000024433409	539731101	/nfs/dbraw/zinc/73/11/01/539731101.db2.gz	UXDARHFEYMWKRC-UHFFFAOYSA-N	-2	0	353.327	2.331	50	0		FEAARL
COc1cc2[n-]c([O-])c(C(=O)Nc3cccc(C)n3)c(=O)c2cc1OC	ZINC000018169868	211193241	/nfs/dbraw/zinc/19/32/41/211193241.db2.gz	BKSXIULRBLCMCQ-UHFFFAOYSA-N	-2	0	355.350	2.207	50	0		FEAARL
COc1cc(C(SCC(=O)[O-])SCC(=O)[O-])cc(OC)c1OC	ZINC000002160570	210381975	/nfs/dbraw/zinc/38/19/75/210381975.db2.gz	JRTUBSRGQBERQQ-UHFFFAOYSA-N	-2	0	362.425	2.347	50	0		FEAARL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000078797005	542481736	/nfs/dbraw/zinc/48/17/36/542481736.db2.gz	VKMQQGSOBUUFBS-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
O=C([N-]C(=O)c1ccccc1)OCCOC(=O)[N-]C(=O)c1ccccc1	ZINC000001893152	539343640	/nfs/dbraw/zinc/34/36/40/539343640.db2.gz	WCIXJBYZPKELHL-UHFFFAOYSA-N	-2	0	356.334	2.120	50	0		FEAARL
Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000002108268	539344781	/nfs/dbraw/zinc/34/47/81/539344781.db2.gz	HYVLYSMWAYMBEH-UHFFFAOYSA-N	-2	0	373.405	2.357	50	0	biogenic	FEAARL
COc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1	ZINC000048356632	570950469	/nfs/dbraw/zinc/95/04/69/570950469.db2.gz	VBYYUFGTJDLZBT-UHFFFAOYSA-N	-2	0	351.380	2.132	50	0		FEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC)c(F)c1	ZINC000055682556	540670793	/nfs/dbraw/zinc/67/07/93/540670793.db2.gz	OMHSYKBEGUNJOH-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
CCc1ccc(NC(=O)CSc2[n-]c(=O)c(C(=O)[O-])cc2C#N)cc1	ZINC000004136129	539377799	/nfs/dbraw/zinc/37/77/99/539377799.db2.gz	SFNQEUHTVXTMHE-UHFFFAOYSA-N	-2	0	357.391	2.238	50	0		FEAARL
Cc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C	ZINC000007779352	539466796	/nfs/dbraw/zinc/46/67/96/539466796.db2.gz	NBJQSDHZWLCASO-UHFFFAOYSA-N	-2	0	350.348	2.468	50	0		FEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2O	ZINC000170597589	546163280	/nfs/dbraw/zinc/16/32/80/546163280.db2.gz	YEDBSIKISNCLBE-AWEZNQCLSA-N	-2	0	363.391	2.310	50	0		FEAARL
CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)noc1C	ZINC000462099431	560797002	/nfs/dbraw/zinc/79/70/02/560797002.db2.gz	FJTVKUSKUWTASD-UHFFFAOYSA-N	-2	0	358.347	2.328	50	0		FEAARL
CCc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cn1CC1CC1	ZINC000663252607	678708644	/nfs/dbraw/zinc/70/86/44/678708644.db2.gz	NBYMNISHLQSZLF-UHFFFAOYSA-N	-2	0	367.402	2.494	50	0		FEAARL
O=C([O-])CN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000009264499	539499879	/nfs/dbraw/zinc/49/98/79/539499879.db2.gz	GSRSOYZLIGAKPR-MDWZMJQESA-N	-2	0	372.358	2.296	50	0		FEAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC	ZINC000057117344	540769118	/nfs/dbraw/zinc/76/91/18/540769118.db2.gz	QUHMMRRQLDQCHN-UHFFFAOYSA-N	-2	0	369.370	2.271	50	0		FEAARL
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000012630508	220015778	/nfs/dbraw/zinc/01/57/78/220015778.db2.gz	NTZMZVCTVDNZTP-UHFFFAOYSA-N	-2	0	364.379	2.153	50	0		FEAARL
COc1cc2[n-]c([O-])c(C(=O)Nc3ncccc3C)c(=O)c2cc1OC	ZINC000018046882	211190105	/nfs/dbraw/zinc/19/01/05/211190105.db2.gz	HARWISFGYMRQIA-UHFFFAOYSA-N	-2	0	355.350	2.207	50	0		FEAARL
COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C(=O)[O-])cc1OC	ZINC000095351576	221850782	/nfs/dbraw/zinc/85/07/82/221850782.db2.gz	NNNFBRMINCAVNV-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000004675537	539390351	/nfs/dbraw/zinc/39/03/51/539390351.db2.gz	DCCMODPUGGYYCH-RIYZIHGNSA-N	-2	0	368.345	2.153	50	0		FEAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)[nH]c3c2)c1	ZINC000013683064	220085988	/nfs/dbraw/zinc/08/59/88/220085988.db2.gz	GBGQWWXXTJGABQ-UHFFFAOYSA-N	-2	0	367.770	2.009	50	0		FEAARL
CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccccc1	ZINC000101765751	222283157	/nfs/dbraw/zinc/28/31/57/222283157.db2.gz	KIEQPCLOGITGMH-GFCCVEGCSA-N	-2	0	358.423	2.236	50	0		FEAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)nc1C	ZINC000543662017	673659279	/nfs/dbraw/zinc/65/92/79/673659279.db2.gz	IYBWVHNZKIWJGK-LLVKDONJSA-N	-2	0	351.428	2.275	50	0		FEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC	ZINC000026546443	539789907	/nfs/dbraw/zinc/78/99/07/539789907.db2.gz	GVQZUWNGRYYLCB-UHFFFAOYSA-N	-2	0	355.343	2.342	50	0		FEAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc1	ZINC000048382965	221011950	/nfs/dbraw/zinc/01/19/50/221011950.db2.gz	UXFBRCJYQJPIQG-UHFFFAOYSA-N	-2	0	357.391	2.430	50	0		FEAARL
O=C([O-])/C=C\C(=O)OCCCCCCCCCCOC(=O)/C=C\C(=O)[O-]	ZINC000100714672	222250310	/nfs/dbraw/zinc/25/03/10/222250310.db2.gz	MUIVCYSAOWLAIZ-HWAYABPNSA-N	-2	0	370.398	2.475	50	0		FEAARL
Cc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000000302749	525039983	/nfs/dbraw/zinc/03/99/83/525039983.db2.gz	JZYMQYJOPYQMMG-GDNBJRDFSA-N	-2	0	350.330	2.360	50	0		FEAARL
C[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C	ZINC000653542516	677536565	/nfs/dbraw/zinc/53/65/65/677536565.db2.gz	SWEASLBQTKYHCO-XHNCKOQMSA-N	-2	0	360.336	2.174	50	0		FEAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1	ZINC000036385121	539989315	/nfs/dbraw/zinc/98/93/15/539989315.db2.gz	BYTOVYYVQPIVSJ-UHFFFAOYSA-N	-2	0	360.391	2.078	50	0		FEAARL
COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1OC	ZINC000045797175	540227979	/nfs/dbraw/zinc/22/79/79/540227979.db2.gz	IKCSXXHHGNDTQU-UHFFFAOYSA-N	-2	0	373.333	2.481	50	0		FEAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1	ZINC000048365307	221010954	/nfs/dbraw/zinc/01/09/54/221010954.db2.gz	ZJAZDIGOMDOODY-UHFFFAOYSA-N	-2	0	357.334	2.401	50	0		FEAARL
COC[C@H](C)n1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)n1	ZINC000489032918	561401834	/nfs/dbraw/zinc/40/18/34/561401834.db2.gz	AHPNVFUMCOZXGK-NSHDSACASA-N	-2	0	367.427	2.206	50	0		FEAARL
CC1(C)[C@H](C(=O)[O-])CC[C@@]1(C)C(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000012346105	539556657	/nfs/dbraw/zinc/55/66/57/539556657.db2.gz	ONQUDWNJNBNMFH-LRDDRELGSA-N	-2	0	355.412	2.399	50	0		FEAARL
Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)nc1Cl	ZINC000328596250	223115872	/nfs/dbraw/zinc/11/58/72/223115872.db2.gz	YVKYCPLOMGJUQV-UHFFFAOYSA-N	-2	0	366.786	2.121	50	0		FEAARL
N#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000072272774	541796820	/nfs/dbraw/zinc/79/68/20/541796820.db2.gz	NCVYBHCMCQEZKL-UHFFFAOYSA-N	-2	0	350.327	2.227	50	0		FEAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1	ZINC000071818282	221379256	/nfs/dbraw/zinc/37/92/56/221379256.db2.gz	KMPSUEJOFYNXBA-UHFFFAOYSA-N	-2	0	363.391	2.276	50	0		FEAARL
O=c1cnnc(SCc2ccc(CSc3nncc(=O)[n-]3)cc2)[n-]1	ZINC000005928343	539419963	/nfs/dbraw/zinc/41/99/63/539419963.db2.gz	UBVXTMIKZMADOT-UHFFFAOYSA-N	-2	0	360.424	2.052	50	0		FEAARL
O=C([O-])C[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)[O-]	ZINC000009484814	539502653	/nfs/dbraw/zinc/50/26/53/539502653.db2.gz	WCUKVGYFXBBMIQ-AWEZNQCLSA-N	-2	0	354.318	2.153	50	0		FEAARL
Cc1nc(C)c(NC(=O)SCC(=O)[O-])cc1NC(=O)SCC(=O)[O-]	ZINC000033513731	220744307	/nfs/dbraw/zinc/74/43/07/220744307.db2.gz	AKXJLSHURWUIEA-UHFFFAOYSA-N	-2	0	373.412	2.398	50	0		FEAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C	ZINC000003893881	539374006	/nfs/dbraw/zinc/37/40/06/539374006.db2.gz	CKFKONMSELPWBW-UHFFFAOYSA-N	-2	0	355.393	2.342	50	0		FEAARL
CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2cccc(C(=O)[O-])c2)C1=O	ZINC000009460918	539503285	/nfs/dbraw/zinc/50/32/85/539503285.db2.gz	YFCXCCTXUPQDKU-BUHFOSPRSA-N	-2	0	359.382	2.339	50	0		FEAARL
O=C([O-])CCC(=O)Nc1cccc2c(NC(=O)CCC(=O)[O-])cccc12	ZINC000000754104	219318603	/nfs/dbraw/zinc/31/86/03/219318603.db2.gz	OXVNKFJKXCXDQK-UHFFFAOYSA-N	-2	0	358.350	2.446	50	0		FEAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1	ZINC000003884876	219527449	/nfs/dbraw/zinc/52/74/49/219527449.db2.gz	UZKATCMZSZQUCO-UHFFFAOYSA-N	-2	0	374.374	2.036	50	0		FEAARL
CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c1=O	ZINC000013407907	220067013	/nfs/dbraw/zinc/06/70/13/220067013.db2.gz	RPSWICHQELXSNF-UHFFFAOYSA-N	-2	0	364.427	2.344	50	0		FEAARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1	ZINC000002685027	539350901	/nfs/dbraw/zinc/35/09/01/539350901.db2.gz	NDHTZOKAIHEIFY-UHFFFAOYSA-N	-2	0	367.379	2.211	50	0		FEAARL
COc1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])cc1Cl	ZINC000009485130	539503250	/nfs/dbraw/zinc/50/32/50/539503250.db2.gz	CTCXFZCTKSELOJ-UHFFFAOYSA-N	-2	0	371.713	2.169	50	0		FEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1	ZINC000012532568	132373401	/nfs/dbraw/zinc/37/34/01/132373401.db2.gz	GAGQWIISZUDQNV-UHFFFAOYSA-N	-2	0	368.436	2.084	50	0		FEAARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	ZINC000254569037	549701095	/nfs/dbraw/zinc/70/10/95/549701095.db2.gz	HHZNREZBHSAEEX-YKOUBVCDSA-N	-2	0	363.416	2.372	50	0		FEAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000004073877	539376315	/nfs/dbraw/zinc/37/63/15/539376315.db2.gz	VRRXPGYLVVFZPL-LBPRGKRZSA-N	-2	0	365.769	2.079	50	0	biogenic	FEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c1	ZINC000023818058	539720572	/nfs/dbraw/zinc/72/05/72/539720572.db2.gz	PLOWXFVYORMUHK-UHFFFAOYSA-N	-2	0	366.420	2.139	50	0		FEAARL
NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F	ZINC000032087068	539928028	/nfs/dbraw/zinc/92/80/28/539928028.db2.gz	IHWSOMYDSIIGHC-UHFFFAOYSA-N	-2	0	372.761	2.077	50	0		FEAARL
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1N1CCOCC1	ZINC000004297049	132377548	/nfs/dbraw/zinc/37/75/48/132377548.db2.gz	ZQRQXEMDUGCAOJ-UHFFFAOYSA-N	-2	0	368.436	2.084	50	0		FEAARL