smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000001233290	203995502	/nfs/dbraw/zinc/99/55/02/203995502.db2.gz	YZGMMKKSMUKBLU-JXAWBTAJSA-N	-1	0	369.465	3.327	10	10		FGCERM
Cc1cccc(N2C(=O)[N-]C(=O)C(=C[C@H]3c4ccccc4N[C@@H]3C)C2=O)c1	ZINC000059442836	136132306	/nfs/dbraw/zinc/13/23/06/136132306.db2.gz	ZXNUVSYXGXIROW-ZLLMVIPJSA-N	-1	0	361.401	3.102	10	10		FGCERM
Cc1csc([C@@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCO2)n1	ZINC000092789922	494749766	/nfs/dbraw/zinc/74/97/66/494749766.db2.gz	SOGVBNWUJKGNEI-ZDUSSCGKSA-N	-1	0	369.830	3.292	10	10		FGCERM
O=C([O-])[C@@H]1C(=S)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000223505543	497038680	/nfs/dbraw/zinc/03/86/80/497038680.db2.gz	VMMPEULFJROLPI-SFHVURJKSA-N	-1	0	367.426	3.464	10	10		FGCERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3nc4ccccc4[nH]3)S2)c1	ZINC000016936387	204644679	/nfs/dbraw/zinc/64/46/79/204644679.db2.gz	KKCDYCJOTNURKA-ZROIWOOFSA-N	-1	0	364.386	3.344	10	10		FGCERM
O=C([O-])Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1	ZINC000027530459	203869255	/nfs/dbraw/zinc/86/92/55/203869255.db2.gz	PMNYDYSJMOODLG-GXDHUFHOSA-N	-1	0	356.428	3.115	10	10		FGCERM
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCC(=O)[O-]	ZINC000005745876	204223347	/nfs/dbraw/zinc/22/33/47/204223347.db2.gz	NYWCLYBNKBIECA-BOPFTXTBSA-N	-1	0	350.374	3.265	10	10		FGCERM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1O	ZINC000001197604	132380993	/nfs/dbraw/zinc/38/09/93/132380993.db2.gz	MAAMEHFIPKSHGS-NTEUORMPSA-N	-1	0	368.414	3.381	10	10		FGCERM
O=C([O-])c1ccc(NC2=NC(=O)C(=Cc3ccc(F)cc3)S2)cc1O	ZINC000016933233	204643853	/nfs/dbraw/zinc/64/38/53/204643853.db2.gz	HATRJGQBCFVYHF-AUWJEWJLSA-N	-1	0	358.350	3.312	10	10		FGCERM
[O-]c1c(Br)cccc1CN1CCO[C@@H](c2nccs2)C1	ZINC000092831675	700441980	/nfs/dbraw/zinc/44/19/80/700441980.db2.gz	YZQSURBTBLTGIC-GFCCVEGCSA-N	-1	0	355.257	3.185	10	10		FGCERM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(O)cc1O	ZINC000083330505	700347083	/nfs/dbraw/zinc/34/70/83/700347083.db2.gz	ZVDZBKMYYYDZNI-MLPAPPSSSA-N	-1	0	374.805	3.423	10	10		FGCERM
CNc1cc(S(=O)(=O)[O-])c2nc(C)cc3c2c1C(=O)c1ccccc1-3	ZINC000003900449	206993641	/nfs/dbraw/zinc/99/36/41/206993641.db2.gz	DDMQVXQAVRAZKW-UHFFFAOYSA-N	-1	0	354.387	3.043	10	10		FGCERM
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-]	ZINC000013915489	494297911	/nfs/dbraw/zinc/29/79/11/494297911.db2.gz	NYWCLYBNKBIECA-GZTJUZNOSA-N	-1	0	350.374	3.265	10	10		FGCERM
CCn1cc([C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)cn1	ZINC000191715940	496864474	/nfs/dbraw/zinc/86/44/74/496864474.db2.gz	GNSYJYQDPLWRIG-HNNXBMFYSA-N	-1	0	356.253	3.489	10	10		FGCERM
Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C	ZINC000059533350	136132234	/nfs/dbraw/zinc/13/22/34/136132234.db2.gz	POKLEAOMKLPXQX-PDGQHHTCSA-N	-1	0	373.412	3.462	10	10		FGCERM
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccc(F)cc3)S2)ccc1O	ZINC000016933416	207602095	/nfs/dbraw/zinc/60/20/95/207602095.db2.gz	UHPVGYWCBAPSRF-AUWJEWJLSA-N	-1	0	358.350	3.312	10	10		FGCERM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)SC1=S	ZINC000005814112	493943632	/nfs/dbraw/zinc/94/36/32/493943632.db2.gz	YURKUQBFLHYZLE-JWAFFJSPSA-N	-1	0	356.428	3.109	10	10		FGCERM
CC(C)=CCC1=C([O-])C=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C1=O	ZINC000014648318	494321924	/nfs/dbraw/zinc/32/19/24/494321924.db2.gz	OCIIFJFJVOTFTN-UHFFFAOYSA-N	-1	0	370.357	3.497	10	10	endogenous,in-man	FGCERM
[O-]c1c(Br)cc(Br)cc1[C@@H](NO)C(F)(F)F	ZINC000381444995	499544815	/nfs/dbraw/zinc/54/48/15/499544815.db2.gz	AUSLGIBUAPHXTH-SSDOTTSWSA-N	-1	0	364.943	3.499	10	10		FGCERM
[O-]c1c(Br)cc(Br)cc1[C@H](NO)C(F)(F)F	ZINC000381023307	499544374	/nfs/dbraw/zinc/54/43/74/499544374.db2.gz	AUSLGIBUAPHXTH-ZETCQYMHSA-N	-1	0	364.943	3.499	10	10		FGCERM
Cc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)o1	ZINC000035648539	208133418	/nfs/dbraw/zinc/13/34/18/208133418.db2.gz	BUXTWARIGGNSKA-MKRLJBPISA-N	-1	0	373.455	3.485	10	10		FGCERM
COC(=O)[C@@H](NCc1cccc(Br)c1[O-])c1ccccc1	ZINC000050507649	695903811	/nfs/dbraw/zinc/90/38/11/695903811.db2.gz	SOIYSSTUUGJBDZ-AWEZNQCLSA-N	-1	0	350.212	3.159	10	10		FGCERM
Cc1ccc(N2[N-]C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)cc1C	ZINC000005417247	207099857	/nfs/dbraw/zinc/09/98/57/207099857.db2.gz	WNMHJUTWXNPPLZ-NSIKDUERSA-N	-1	0	370.792	3.147	10	10		FGCERM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000000831357	132378859	/nfs/dbraw/zinc/37/88/59/132378859.db2.gz	PXSWFOGPJIACMA-RAXLEYEMSA-N	-1	0	356.765	3.015	10	10		FGCERM
Cc1cccc(N2C(=O)[N-]C(=O)C(=C[C@H]3c4ccccc4N[C@H]3C)C2=O)c1	ZINC000059442840	136132269	/nfs/dbraw/zinc/13/22/69/136132269.db2.gz	ZXNUVSYXGXIROW-XBZYTORLSA-N	-1	0	361.401	3.102	10	10		FGCERM
Cc1nc(C=Cc2ccc(N3CCCCC3)cc2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000195503685	496943418	/nfs/dbraw/zinc/94/34/18/496943418.db2.gz	OLOLINFVDHIFSJ-YRNVUSSQSA-N	-1	0	367.449	3.256	10	10		FGCERM
Nc1ccc(Nc2c(C(=O)[O-])ccc3c2C(=O)c2ccccc2C3=O)cc1	ZINC000005520547	210084076	/nfs/dbraw/zinc/08/40/76/210084076.db2.gz	OUIKMDYOQVWPFP-UHFFFAOYSA-N	-1	0	358.353	3.486	10	10		FGCERM
COc1cccc(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)c1	ZINC000016905941	211172158	/nfs/dbraw/zinc/17/21/58/211172158.db2.gz	ADCJFLSKNWIJBU-OQLLNIDSSA-N	-1	0	354.387	3.476	10	10		FGCERM
Cc1csc([C@@H]2CN(Cc3cccc(Br)c3[O-])CCO2)n1	ZINC000092790102	700441621	/nfs/dbraw/zinc/44/16/21/700441621.db2.gz	WGDCOCSUGGEVKU-ZDUSSCGKSA-N	-1	0	369.284	3.493	10	10		FGCERM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1O	ZINC000032707942	210167150	/nfs/dbraw/zinc/16/71/50/210167150.db2.gz	WPDJWPKOLWLIQD-VGOFMYFVSA-N	-1	0	373.411	3.202	10	10		FGCERM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000096193309	222070319	/nfs/dbraw/zinc/07/03/19/222070319.db2.gz	QDHSBNBHFHZCGR-SDQBBNPISA-N	-1	0	372.764	3.256	10	10		FGCERM
COc1ccccc1NC1=NC(=O)C(=Cc2ccc(C(=O)[O-])cc2)S1	ZINC000016906095	211171967	/nfs/dbraw/zinc/17/19/67/211171967.db2.gz	OGIKXCGNVMMJHN-XNTDXEJSSA-N	-1	0	354.387	3.476	10	10		FGCERM
O=C([O-])c1cc(O)ccc1NC1=NC(=O)C(=Cc2ccc(F)cc2)S1	ZINC000016933018	211171982	/nfs/dbraw/zinc/17/19/82/211171982.db2.gz	ZDCWSOOOIAGPDA-AUWJEWJLSA-N	-1	0	358.350	3.312	10	10		FGCERM
O=C([O-])c1ccccc1/C=C1/SC(=S)N(c2ccc(O)cc2)C1=O	ZINC000001236264	210338796	/nfs/dbraw/zinc/33/87/96/210338796.db2.gz	PNDHWWHGCWJEDP-NTEUORMPSA-N	-1	0	357.412	3.496	10	10		FGCERM
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)ccc1O	ZINC000226861749	497086445	/nfs/dbraw/zinc/08/64/45/497086445.db2.gz	WKYNQYLDVAWUAZ-UHFFFAOYSA-N	-1	0	369.398	3.143	10	10		FGCERM
CCOc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1	ZINC000028048198	211478977	/nfs/dbraw/zinc/47/89/77/211478977.db2.gz	VVDIOTLEZYHRPN-JLHYYAGUSA-N	-1	0	351.449	3.151	10	10		FGCERM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)SC1=S	ZINC000005814105	493943814	/nfs/dbraw/zinc/94/38/14/493943814.db2.gz	YURKUQBFLHYZLE-UELRPHRMSA-N	-1	0	356.428	3.109	10	10		FGCERM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1	ZINC000016932824	220197507	/nfs/dbraw/zinc/19/75/07/220197507.db2.gz	SQOHSHZDGWQCQO-ZSOIEALJSA-N	-1	0	373.411	3.202	10	10		FGCERM
Cc1sc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C(N)=O)c1C	ZINC000027931568	220552367	/nfs/dbraw/zinc/55/23/67/220552367.db2.gz	DHQRHKWNLLZFLK-UHFFFAOYSA-N	-1	0	360.460	3.418	10	10		FGCERM
CC(C)c1nc2c(n1C)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2	ZINC000123301209	700702871	/nfs/dbraw/zinc/70/28/71/700702871.db2.gz	OGKYQUZGRBASQA-UHFFFAOYSA-N	-1	0	364.833	3.369	10	10		FGCERM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2nc3ccccc3[nH]2)S1	ZINC000016936247	220197174	/nfs/dbraw/zinc/19/71/74/220197174.db2.gz	NQELPMMSVBAAEP-ZROIWOOFSA-N	-1	0	364.386	3.344	10	10		FGCERM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	ZINC000027530409	494870970	/nfs/dbraw/zinc/87/09/70/494870970.db2.gz	ZAHJHACRNMXCJV-AUWXEVLLSA-N	-1	0	351.449	3.150	10	10		FGCERM
Cc1ccc(C=C2SC(Nc3ccc(C(=O)[O-])c(O)c3)=NC2=O)cc1	ZINC000016933168	220196993	/nfs/dbraw/zinc/19/69/93/220196993.db2.gz	RRCNCWCAGJNGRX-NVNXTCNLSA-N	-1	0	354.387	3.481	10	10		FGCERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)c1	ZINC000016936376	220197000	/nfs/dbraw/zinc/19/70/00/220197000.db2.gz	PBFPRBCWPUCTKG-ZSOIEALJSA-N	-1	0	369.358	3.375	10	10		FGCERM
O=C([O-])COc1ccc(C=C2SC(Nc3ccccc3F)=NC2=O)cc1	ZINC000016906611	220197180	/nfs/dbraw/zinc/19/71/80/220197180.db2.gz	UZMLURGHXIXZJC-OQLLNIDSSA-N	-1	0	372.377	3.372	10	10		FGCERM
Cc1ccccc1C=C1SC(Nc2ccc(O)c(C(=O)[O-])c2)=NC1=O	ZINC000016933341	220197555	/nfs/dbraw/zinc/19/75/55/220197555.db2.gz	XIOHLCCCFBOPFI-NVNXTCNLSA-N	-1	0	354.387	3.481	10	10		FGCERM
Cc1csc([C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCO2)n1	ZINC000092789923	494749272	/nfs/dbraw/zinc/74/92/72/494749272.db2.gz	SOGVBNWUJKGNEI-CYBMUJFWSA-N	-1	0	369.830	3.292	10	10		FGCERM
CC(C)=CCc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)cc(O)c1O	ZINC000013860547	220098337	/nfs/dbraw/zinc/09/83/37/220098337.db2.gz	WOMWVGHYSNATOB-UHFFFAOYSA-N	-1	0	370.357	3.497	10	10	endogenous,in-man	FGCERM
O=C([O-])COc1ccc(/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1	ZINC000016906453	220197498	/nfs/dbraw/zinc/19/74/98/220197498.db2.gz	XEINCKRSLVLSLE-NTEUORMPSA-N	-1	0	363.460	3.294	10	10		FGCERM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C	ZINC000004473943	493877341	/nfs/dbraw/zinc/87/73/41/493877341.db2.gz	GPEHVQMXTUXNGC-YBEGLDIGSA-N	-1	0	367.474	3.090	10	10		FGCERM
O=C([O-])COc1ccccc1C=C1SC(Nc2ccccc2F)=NC1=O	ZINC000016910022	220197114	/nfs/dbraw/zinc/19/71/14/220197114.db2.gz	GKWMVVUTSYUBJQ-OQLLNIDSSA-N	-1	0	372.377	3.372	10	10		FGCERM
COc1ccccc1NC1=NC(=O)C(=Cc2ccccc2C(=O)[O-])S1	ZINC000016905939	220197366	/nfs/dbraw/zinc/19/73/66/220197366.db2.gz	CXOCJLVXVOPGBB-XNTDXEJSSA-N	-1	0	354.387	3.476	10	10		FGCERM
Cc1cc(C)n(C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)n1	ZINC000122596086	700692469	/nfs/dbraw/zinc/69/24/69/700692469.db2.gz	GUEVGFFKYDPKBN-HNNXBMFYSA-N	-1	0	370.280	3.413	10	10		FGCERM
N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC=CN21	ZINC000041076688	494148710	/nfs/dbraw/zinc/14/87/10/494148710.db2.gz	JKTXJACQHCNHCJ-CXHQGSNTSA-N	-1	0	365.370	3.422	10	10		FGCERM
Cc1cc(OCC(=O)[O-])nc(Nc2ccccc2C(=O)c2ccccc2)n1	ZINC000073700818	205033415	/nfs/dbraw/zinc/03/34/15/205033415.db2.gz	BAMRICKFBJRWCK-UHFFFAOYSA-N	-1	0	363.373	3.223	10	10		FGCERM
COC(=O)[C@H](NCc1cccc(Br)c1[O-])c1ccccc1	ZINC000050507648	695903863	/nfs/dbraw/zinc/90/38/63/695903863.db2.gz	SOIYSSTUUGJBDZ-CQSZACIVSA-N	-1	0	350.212	3.159	10	10		FGCERM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004513212	204143345	/nfs/dbraw/zinc/14/33/45/204143345.db2.gz	SXUZNKRAYZLZBU-BOPFTXTBSA-N	-1	0	368.364	3.279	10	10		FGCERM
Cc1cc(C)n(C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)n1	ZINC000122596356	700692629	/nfs/dbraw/zinc/69/26/29/700692629.db2.gz	GUEVGFFKYDPKBN-OAHLLOKOSA-N	-1	0	370.280	3.413	10	10		FGCERM
CC[C@@]1(C)OC(=CC=C2C(=O)[N-]C(=O)NC2=O)C=C(c2ccccc2)O1	ZINC000004853681	204169507	/nfs/dbraw/zinc/16/95/07/204169507.db2.gz	GAGYVANRLKJATI-PMTSLALWSA-N	-1	0	354.362	3.217	10	10		FGCERM
O=C([O-])Cc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1	ZINC000027530461	494871304	/nfs/dbraw/zinc/87/13/04/494871304.db2.gz	TUMVMYLEAAHBJD-NTEUORMPSA-N	-1	0	356.428	3.115	10	10		FGCERM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1O	ZINC000027530360	203868463	/nfs/dbraw/zinc/86/84/63/203868463.db2.gz	PIELGBPLRFXIGM-VGOFMYFVSA-N	-1	0	373.411	3.202	10	10		FGCERM
O=C(c1ccco1)c1cc(Br)c(Br)c(O)c1[O-]	ZINC000584609086	507431331	/nfs/dbraw/zinc/43/13/31/507431331.db2.gz	KXICIZGBLBETDD-UHFFFAOYSA-N	-1	0	361.973	3.447	10	10		FGCERM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c1	ZINC000033296825	494057107	/nfs/dbraw/zinc/05/71/07/494057107.db2.gz	JJRXBXVWWHOSTL-YBEGLDIGSA-N	-1	0	352.346	3.211	10	10		FGCERM
COc1cc(/N=N/c2ccc(OC)c(S(=O)(=O)[O-])c2)c(C)cc1N	ZINC000005159892	207085291	/nfs/dbraw/zinc/08/52/91/207085291.db2.gz	IEZSGDNUYFXTGX-ISLYRVAYSA-N	-1	0	351.384	3.257	10	10	in-vitro	FGCERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccc(O)c(O)c3)S2)c1	ZINC000016933907	207600679	/nfs/dbraw/zinc/60/06/79/207600679.db2.gz	VNFPVWDVUPVHHU-NVNXTCNLSA-N	-1	0	370.386	3.187	10	10		FGCERM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1O	ZINC000013914147	494298151	/nfs/dbraw/zinc/29/81/51/494298151.db2.gz	QZDGPGALLMYPJQ-YBEGLDIGSA-N	-1	0	366.373	3.295	10	10		FGCERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)c1	ZINC000001158394	219383120	/nfs/dbraw/zinc/38/31/20/219383120.db2.gz	HSRWAWNXXYDESJ-CHHVJCJISA-N	-1	0	368.370	3.196	10	10		FGCERM
Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C(=O)[O-]	ZINC000226858439	209367706	/nfs/dbraw/zinc/36/77/06/209367706.db2.gz	MKBQGBJAPXETNJ-UHFFFAOYSA-N	-1	0	357.387	3.353	10	10		FGCERM
CCOc1ccccc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000040938358	208276786	/nfs/dbraw/zinc/27/67/86/208276786.db2.gz	XKKFJCGLNOSUQU-JLHYYAGUSA-N	-1	0	351.449	3.151	10	10		FGCERM
O=C([N-]N1C(=O)/C(=C/c2cccs2)SC1=S)c1cccs1	ZINC000003766105	493858054	/nfs/dbraw/zinc/85/80/54/493858054.db2.gz	BWPFIGOZMMJKRS-YFHOEESVSA-N	-1	0	352.487	3.356	10	10		FGCERM
Cc1noc([C@@H](C)N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1	ZINC000121298291	494689554	/nfs/dbraw/zinc/68/95/54/494689554.db2.gz	KYVNOMBBSTZVLO-SNVBAGLBSA-N	-1	0	371.268	3.269	10	10		FGCERM
Nc1c(Cl)c(Br)c([O-])c2c1C(=O)c1ccccc1C2=O	ZINC000164381315	496608837	/nfs/dbraw/zinc/60/88/37/496608837.db2.gz	PCAFKNSZJMUWAG-UHFFFAOYSA-N	-1	0	352.571	3.166	10	10		FGCERM
COc1cccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)c1	ZINC000016936220	211173708	/nfs/dbraw/zinc/17/37/08/211173708.db2.gz	IOJGYQVFURBIMI-GDNBJRDFSA-N	-1	0	354.387	3.476	10	10		FGCERM
COc1cccc(C=C2SC(Nc3ccc(O)cc3C(=O)[O-])=NC2=O)c1	ZINC000016932951	211171829	/nfs/dbraw/zinc/17/18/29/211171829.db2.gz	UOCZCMGOKGHOFC-NVNXTCNLSA-N	-1	0	370.386	3.181	10	10		FGCERM
Cc1nc2c(C(=O)N3CCCCC3)c[n-]n2c(=O)c1Cc1ccccc1F	ZINC000009597709	494129083	/nfs/dbraw/zinc/12/90/83/494129083.db2.gz	FKLHXCBHFMMOKI-UHFFFAOYSA-N	-1	0	368.412	3.099	10	10		FGCERM
O=C([O-])CCCNC1=NC(=O)C(=Cc2ccccc2C(F)(F)F)S1	ZINC000083328169	700346888	/nfs/dbraw/zinc/34/68/88/700346888.db2.gz	LMQANTOWGZRIMT-DHZHZOJOSA-N	-1	0	358.341	3.130	10	10		FGCERM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)ccc1O	ZINC000016929456	211172210	/nfs/dbraw/zinc/17/22/10/211172210.db2.gz	ZWVGDNQWCMWACZ-AUWJEWJLSA-N	-1	0	373.411	3.202	10	10		FGCERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccc(O)cc3)S2)c1	ZINC000016933904	211171875	/nfs/dbraw/zinc/17/18/75/211171875.db2.gz	KIBINNSQJAFKIV-DHDCSXOGSA-N	-1	0	354.387	3.481	10	10		FGCERM
Cc1ccc(O)c(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)c1	ZINC000016905952	211171500	/nfs/dbraw/zinc/17/15/00/211171500.db2.gz	DOWLJTKUTHFAIE-OQLLNIDSSA-N	-1	0	354.387	3.481	10	10		FGCERM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1	ZINC000059426637	136132163	/nfs/dbraw/zinc/13/21/63/136132163.db2.gz	JUSCTUAHQOXRBP-DHDCSXOGSA-N	-1	0	370.792	3.329	10	10		FGCERM
O=C([O-])COc1cccc(/C=C2/SC(=S)N(C3CCCC3)C2=O)c1	ZINC000016909581	211172119	/nfs/dbraw/zinc/17/21/19/211172119.db2.gz	OPLZDICBASPIFX-NTEUORMPSA-N	-1	0	363.460	3.294	10	10		FGCERM
[O-]c1c(Br)cccc1CN1CCO[C@H](c2nccs2)C1	ZINC000092831674	700442042	/nfs/dbraw/zinc/44/20/42/700442042.db2.gz	YZQSURBTBLTGIC-LBPRGKRZSA-N	-1	0	355.257	3.185	10	10		FGCERM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(O)cc1O	ZINC000096603196	700459484	/nfs/dbraw/zinc/45/94/84/700459484.db2.gz	RFHBXOGHTUUZGW-AWNIVKPZSA-N	-1	0	358.737	3.258	10	10		FGCERM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S	ZINC000005807921	210641383	/nfs/dbraw/zinc/64/13/83/210641383.db2.gz	POLAXLQUQUEMGA-KADHNRKRSA-N	-1	0	364.492	3.063	10	10		FGCERM
Cc1cc(O)ccc1NC1=NC(=O)C(=Cc2ccc(C(=O)[O-])cc2)S1	ZINC000016906103	211171788	/nfs/dbraw/zinc/17/17/88/211171788.db2.gz	OQDOFAXRQIKQIG-OQLLNIDSSA-N	-1	0	354.387	3.481	10	10		FGCERM
CCN(CC)c1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)cc1	ZINC000195503772	496943062	/nfs/dbraw/zinc/94/30/62/496943062.db2.gz	YWHBWMKCFIASRS-XYOKQWHBSA-N	-1	0	355.438	3.112	10	10		FGCERM
O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)ccc1O	ZINC000027530370	210163594	/nfs/dbraw/zinc/16/35/94/210163594.db2.gz	METCIJBMPXLIQG-VGOFMYFVSA-N	-1	0	373.411	3.202	10	10		FGCERM
COc1ccc(OC)c(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000059129073	212015945	/nfs/dbraw/zinc/01/59/45/212015945.db2.gz	AHFIUYRTBLJCPX-OQLLNIDSSA-N	-1	0	372.808	3.127	10	10		FGCERM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	ZINC000007262881	494011390	/nfs/dbraw/zinc/01/13/90/494011390.db2.gz	ZAHJHACRNMXCJV-OQZOHAQUSA-N	-1	0	351.449	3.150	10	10		FGCERM
O=C([O-])COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1	ZINC000016906586	220197322	/nfs/dbraw/zinc/19/73/22/220197322.db2.gz	WLCMEGTULFJEJP-XNTDXEJSSA-N	-1	0	354.387	3.232	10	10		FGCERM
CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019077381	220236385	/nfs/dbraw/zinc/23/63/85/220236385.db2.gz	WXIRZCMCHWPNQR-UHFFFAOYSA-N	-1	0	368.871	3.212	10	10		FGCERM
Cc1ccccc1C=C1SC(Nc2ccc(O)cc2C(=O)[O-])=NC1=O	ZINC000016932912	220197266	/nfs/dbraw/zinc/19/72/66/220197266.db2.gz	PDENRJIVEZYMNR-NVNXTCNLSA-N	-1	0	354.387	3.481	10	10		FGCERM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C	ZINC000100244857	222239417	/nfs/dbraw/zinc/23/94/17/222239417.db2.gz	DFSHSSAUZJFPSK-UYRXBGFRSA-N	-1	0	358.401	3.280	10	10		FGCERM
Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)cc1	ZINC000005745175	493941685	/nfs/dbraw/zinc/94/16/85/493941685.db2.gz	ZHAZUZVDZLULCX-GDNBJRDFSA-N	-1	0	370.455	3.247	10	10		FGCERM
CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(C)c1	ZINC000006914307	493987554	/nfs/dbraw/zinc/98/75/54/493987554.db2.gz	PFNRWAKAWDXVDY-UHFFFAOYSA-N	-1	0	360.439	3.178	10	10		FGCERM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S	ZINC000005807920	493943773	/nfs/dbraw/zinc/94/37/73/493943773.db2.gz	POLAXLQUQUEMGA-SSUFTNFISA-N	-1	0	364.492	3.063	10	10		FGCERM
Cc1c(CC(=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1	ZINC000013643745	220080527	/nfs/dbraw/zinc/08/05/27/220080527.db2.gz	WJRHOGLBMOCHHB-UHFFFAOYSA-N	-1	0	369.442	3.483	10	10		FGCERM
COc1ccccc1C=C1SC(Nc2ccc(O)cc2C(=O)[O-])=NC1=O	ZINC000016932947	220197009	/nfs/dbraw/zinc/19/70/09/220197009.db2.gz	BNBXDGFBRXJKCL-NVNXTCNLSA-N	-1	0	370.386	3.181	10	10		FGCERM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccccc3[N+](=O)[O-])S2)c1	ZINC000016936371	220197518	/nfs/dbraw/zinc/19/75/18/220197518.db2.gz	TVNGGWSVKRNYAN-ZROIWOOFSA-N	-1	0	369.358	3.375	10	10		FGCERM
O=C1C=CC=CC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000077312720	221604568	/nfs/dbraw/zinc/60/45/68/221604568.db2.gz	HGJLOOKUKJWWDL-FMQUCBEESA-N	-1	0	354.391	3.425	10	10	in-vitro	FGCERM
Cc1csc([C@H]2CN(Cc3cccc(Br)c3[O-])CCO2)n1	ZINC000092790103	700441466	/nfs/dbraw/zinc/44/14/66/700441466.db2.gz	WGDCOCSUGGEVKU-CYBMUJFWSA-N	-1	0	369.284	3.493	10	10		FGCERM
Cc1nc2c(C(=O)NCCc3ccccc3Cl)c[n-]n2c(=O)c1Cl	ZINC000013132984	220060113	/nfs/dbraw/zinc/06/01/13/220060113.db2.gz	VWEDTPBKUJYEHA-UHFFFAOYSA-N	-1	0	365.220	3.023	10	10		FGCERM
Cc1noc([C@H](C)N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1	ZINC000121298458	494689933	/nfs/dbraw/zinc/68/99/33/494689933.db2.gz	KYVNOMBBSTZVLO-JTQLQIEISA-N	-1	0	371.268	3.269	10	10		FGCERM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1	ZINC000007166684	219793644	/nfs/dbraw/zinc/79/36/44/219793644.db2.gz	YHQGKKZNBAMSGL-NTEUORMPSA-N	-1	0	357.412	3.496	10	10		FGCERM
CCn1cc([C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)cn1	ZINC000191715954	496864740	/nfs/dbraw/zinc/86/47/40/496864740.db2.gz	GNSYJYQDPLWRIG-OAHLLOKOSA-N	-1	0	356.253	3.489	10	10		FGCERM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]N(c2cccc(Cl)c2)C1=O	ZINC000001196864	219388068	/nfs/dbraw/zinc/38/80/68/219388068.db2.gz	RLECPDIMUABTJV-RIYZIHGNSA-N	-1	0	363.200	3.463	10	10		FGCERM
COc1cccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c1	ZINC000016936316	220196510	/nfs/dbraw/zinc/19/65/10/220196510.db2.gz	SDRSTRKZXUPVIF-DHDCSXOGSA-N	-1	0	354.387	3.476	10	10		FGCERM
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)c1	ZINC000016933901	220196705	/nfs/dbraw/zinc/19/67/05/220196705.db2.gz	AEULIWMPNSTRQW-DHDCSXOGSA-N	-1	0	354.387	3.481	10	10		FGCERM
Cc1cccc(C=C2SC(Nc3ccc(O)cc3C(=O)[O-])=NC2=O)c1	ZINC000016932916	220196948	/nfs/dbraw/zinc/19/69/48/220196948.db2.gz	JDWYAPVGLQPCOZ-NVNXTCNLSA-N	-1	0	354.387	3.481	10	10		FGCERM
COc1ccc(NC2=NC(=O)C(=Cc3ccccc3C(=O)[O-])S2)cc1	ZINC000016905942	220197029	/nfs/dbraw/zinc/19/70/29/220197029.db2.gz	WKXLNPHZXBHOTN-XNTDXEJSSA-N	-1	0	354.387	3.476	10	10		FGCERM