smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000005710850	557669833	/nfs/dbraw/zinc/66/98/33/557669833.db2.gz	ARUXVSYIRBTWIW-ZSOIEALJSA-N	-1	2	414.801	2.778	40	10		HFCBLM
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OCC	ZINC000408938664	560656461	/nfs/dbraw/zinc/65/64/61/560656461.db2.gz	QXDMONCFRNONLN-LFIBNONCSA-N	-1	2	424.409	2.849	40	10		HFCBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409190572	560689191	/nfs/dbraw/zinc/68/91/91/560689191.db2.gz	ZRHLLULZZNZVTP-SWEABUAFSA-N	-1	2	408.410	2.822	40	10		HFCBLM
Cc1noc([N-]S(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)c1C	ZINC000104123410	559158183	/nfs/dbraw/zinc/15/81/83/559158183.db2.gz	MUOBPHAKYOZZBA-WPCFGXOUSA-N	-1	2	411.490	2.650	40	10		HFCBLM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409196340	560690430	/nfs/dbraw/zinc/69/04/30/560690430.db2.gz	ZDSHLCFSVMAWIH-BTAWCLGRSA-N	-1	2	414.801	2.858	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409233055	560700678	/nfs/dbraw/zinc/70/06/78/560700678.db2.gz	UHQKCBTWCHWLMJ-KWWJGWKXSA-N	-1	2	424.409	2.522	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409244429	560703024	/nfs/dbraw/zinc/70/30/24/560703024.db2.gz	CPBJEOOQFMYMGO-JMRXEAOASA-N	-1	2	424.409	2.522	40	10		HFCBLM
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc([N+](=O)[O-])c([O-])cc1O	ZINC000059135799	568701213	/nfs/dbraw/zinc/70/12/13/568701213.db2.gz	GANDEFGVLYGEJJ-WEVVVXLNSA-N	-1	2	403.347	2.817	40	10		HFCBLM
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409190747	560689251	/nfs/dbraw/zinc/68/92/51/560689251.db2.gz	QLNIVCSIJXJJDZ-HGLKBHAMSA-N	-1	2	414.801	2.858	40	10		HFCBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000409073822	560673682	/nfs/dbraw/zinc/67/36/82/560673682.db2.gz	IVAUNFQQNMUAJH-ZROIWOOFSA-N	-1	2	414.801	2.778	40	10		HFCBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	ZINC000409097258	560675983	/nfs/dbraw/zinc/67/59/83/560675983.db2.gz	LYFSBUWGZXKBRE-FOWTUZBSSA-N	-1	2	419.368	2.981	40	10		HFCBLM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409202241	560693227	/nfs/dbraw/zinc/69/32/27/560693227.db2.gz	QRGGHZCETLMZPB-WUXMJOGZSA-N	-1	2	401.762	2.929	40	10		HFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409189374	560690966	/nfs/dbraw/zinc/69/09/66/560690966.db2.gz	KHJAJHVHOBRDKY-HNEYUBDGSA-N	-1	2	424.409	2.604	40	10		HFCBLM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C(=O)[O-]	ZINC000409043511	560669223	/nfs/dbraw/zinc/66/92/23/560669223.db2.gz	RIUPQJIGKHFWTP-XFXZXTDPSA-N	-1	2	400.774	2.713	40	10		HFCBLM
Cc1noc([N-]S(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)c1C	ZINC000104123415	559158207	/nfs/dbraw/zinc/15/82/07/559158207.db2.gz	MUOBPHAKYOZZBA-CMTMBAJVSA-N	-1	2	411.490	2.650	40	10		HFCBLM
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000408769164	560638933	/nfs/dbraw/zinc/63/89/33/560638933.db2.gz	PHIQQBYWMMDYBL-MHWRWJLKSA-N	-1	2	424.409	2.524	40	10		HFCBLM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000408915823	560654189	/nfs/dbraw/zinc/65/41/89/560654189.db2.gz	ZPXVPRGDEPIFCP-LZYBPNLTSA-N	-1	2	407.357	2.531	40	10		HFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409016721	560666651	/nfs/dbraw/zinc/66/66/51/560666651.db2.gz	VMPYWUFAKHLKOP-BVTUPMQUSA-N	-1	2	424.409	2.522	40	10		HFCBLM
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408852149	560646868	/nfs/dbraw/zinc/64/68/68/560646868.db2.gz	COZBYTAXQTURMJ-LFIBNONCSA-N	-1	2	424.409	2.849	40	10		HFCBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1	ZINC000409190569	560689125	/nfs/dbraw/zinc/68/91/25/560689125.db2.gz	ZRHLLULZZNZVTP-MPMPPSQCSA-N	-1	2	408.410	2.822	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409233243	560700707	/nfs/dbraw/zinc/70/07/07/560700707.db2.gz	UHQKCBTWCHWLMJ-XDUBLRSXSA-N	-1	2	424.409	2.522	40	10		HFCBLM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccncc4)C3=O)o2)cc1	ZINC000409389987	560720663	/nfs/dbraw/zinc/72/06/63/560720663.db2.gz	DCIMBYWBULFYKJ-LFIBNONCSA-N	-1	2	403.350	2.706	40	10		HFCBLM
O=C([O-])COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	ZINC000033784293	569360485	/nfs/dbraw/zinc/36/04/85/569360485.db2.gz	WVYIJPZHRZRUCL-SDQBBNPISA-N	-1	2	407.209	2.918	40	10		HFCBLM
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	ZINC000409045476	560669440	/nfs/dbraw/zinc/66/94/40/560669440.db2.gz	YSKVZCXXCBCRSC-RIYZIHGNSA-N	-1	2	418.764	2.609	40	10		HFCBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000409047055	560669634	/nfs/dbraw/zinc/66/96/34/560669634.db2.gz	MJYAVLJQYCLOTG-NTEUORMPSA-N	-1	2	414.801	2.778	40	10		HFCBLM
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000408847848	560646667	/nfs/dbraw/zinc/64/66/67/560646667.db2.gz	VZKALSGPMNMFGJ-HPUUJOOBSA-N	-1	2	414.801	2.858	40	10		HFCBLM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)[O-]	ZINC000409190749	560689280	/nfs/dbraw/zinc/68/92/80/560689280.db2.gz	QLNIVCSIJXJJDZ-KBVGCWLLSA-N	-1	2	414.801	2.858	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1C	ZINC000409193804	560689842	/nfs/dbraw/zinc/68/98/42/560689842.db2.gz	LWKHWEIWGLPBIX-SWEABUAFSA-N	-1	2	408.410	2.822	40	10		HFCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408848698	560646981	/nfs/dbraw/zinc/64/69/81/560646981.db2.gz	RZYDYMJNDVDLMZ-YRNVUSSQSA-N	-1	2	418.764	2.609	40	10		HFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1	ZINC000408984959	560661506	/nfs/dbraw/zinc/66/15/06/560661506.db2.gz	USWLWWZEBLDVKY-WQRHYEAKSA-N	-1	2	417.421	2.955	40	10		HFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409009616	560665256	/nfs/dbraw/zinc/66/52/56/560665256.db2.gz	GWIPFPXYFBADRX-RKPNYOAGSA-N	-1	2	424.409	2.522	40	10		HFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409192224	560689472	/nfs/dbraw/zinc/68/94/72/560689472.db2.gz	AAZQQHODILKBDK-VLURKWGBSA-N	-1	2	408.410	2.767	40	10		HFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000408859724	560648042	/nfs/dbraw/zinc/64/80/42/560648042.db2.gz	YOOLRWMIHWWKMO-HTMJNSLASA-N	-1	2	424.409	2.604	40	10		HFCBLM
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c([O-])c([N+](=O)[O-])c1	ZINC000107650255	569360963	/nfs/dbraw/zinc/36/09/63/569360963.db2.gz	ZZQUYOGBIPJVKK-WDZFZDKYSA-N	-1	2	404.176	2.524	40	10		HFCBLM
Cc1noc([N-]S(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)c1C	ZINC000104123424	559158162	/nfs/dbraw/zinc/15/81/62/559158162.db2.gz	MUOBPHAKYOZZBA-PHODEOQFSA-N	-1	2	411.490	2.650	40	10		HFCBLM
COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-]	ZINC000409040558	560668714	/nfs/dbraw/zinc/66/87/14/560668714.db2.gz	GRTWMNZWTHYUPE-ZSOIEALJSA-N	-1	2	400.774	2.713	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)[O-])c3)C2=O)cc1Cl	ZINC000409072585	560673487	/nfs/dbraw/zinc/67/34/87/560673487.db2.gz	CSEHCXCJHXSXBP-NVNXTCNLSA-N	-1	2	414.801	2.778	40	10		HFCBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409203073	560693619	/nfs/dbraw/zinc/69/36/19/560693619.db2.gz	UXUWZVBRAQAJFL-YRNVUSSQSA-N	-1	2	401.762	2.929	40	10		HFCBLM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccncc4)C3=O)o2)c1	ZINC000409394271	560719687	/nfs/dbraw/zinc/71/96/87/560719687.db2.gz	XZBBIZLGOOYMKH-WJDWOHSUSA-N	-1	2	403.350	2.706	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000408855895	560647719	/nfs/dbraw/zinc/64/77/19/560647719.db2.gz	OQIBCADGIBQBDN-RIYZIHGNSA-N	-1	2	414.801	2.778	40	10		HFCBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	ZINC000409103002	560677439	/nfs/dbraw/zinc/67/74/39/560677439.db2.gz	WZUOCOAVDDJSCV-QGOAFFKASA-N	-1	2	401.378	2.842	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409236224	560699172	/nfs/dbraw/zinc/69/91/72/560699172.db2.gz	FDJFIHNRRYRAQS-KWWJGWKXSA-N	-1	2	424.409	2.522	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409244430	560703034	/nfs/dbraw/zinc/70/30/34/560703034.db2.gz	CPBJEOOQFMYMGO-WDGDVPDHSA-N	-1	2	424.409	2.522	40	10		HFCBLM
O=C([O-])c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000009311438	132338456	/nfs/dbraw/zinc/33/84/56/132338456.db2.gz	PGZLTTMKDSSVFU-ZROIWOOFSA-N	-1	2	415.199	2.814	40	10		HFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(C(=O)[O-])c3)C2=O)cc1	ZINC000010038285	132344890	/nfs/dbraw/zinc/34/48/90/132344890.db2.gz	VNMSLVNCFZJTIM-SFQUDFHCSA-N	-1	2	424.409	2.849	40	10		HFCBLM
Cc1noc([N-]S(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)c1C	ZINC000104123420	559158204	/nfs/dbraw/zinc/15/82/04/559158204.db2.gz	MUOBPHAKYOZZBA-VLUKHXRESA-N	-1	2	411.490	2.650	40	10		HFCBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1	ZINC000409105952	560678487	/nfs/dbraw/zinc/67/84/87/560678487.db2.gz	PRQTVWHFIQPJMH-LDADJPATSA-N	-1	2	419.368	2.981	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1C	ZINC000409193802	560689870	/nfs/dbraw/zinc/68/98/70/560689870.db2.gz	LWKHWEIWGLPBIX-MPMPPSQCSA-N	-1	2	408.410	2.822	40	10		HFCBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1	ZINC000409189375	560690948	/nfs/dbraw/zinc/69/09/48/560690948.db2.gz	KHJAJHVHOBRDKY-VVBXCHJUSA-N	-1	2	424.409	2.604	40	10		HFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409009615	560665281	/nfs/dbraw/zinc/66/52/81/560665281.db2.gz	GWIPFPXYFBADRX-BVTUPMQUSA-N	-1	2	424.409	2.522	40	10		HFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)C1=O	ZINC000059679539	568710071	/nfs/dbraw/zinc/71/00/71/568710071.db2.gz	XCPSYOAEKUJGRT-VLURKWGBSA-N	-1	2	408.410	2.767	40	10		HFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000009259691	132337726	/nfs/dbraw/zinc/33/77/26/132337726.db2.gz	SHNJCESDUMUPLB-KAECEXQPSA-N	-1	2	424.409	2.604	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1Cl	ZINC000408989675	560662077	/nfs/dbraw/zinc/66/20/77/560662077.db2.gz	UZNPMUODVOGASZ-NVNXTCNLSA-N	-1	2	414.801	2.778	40	10		HFCBLM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1	ZINC000409393331	560719430	/nfs/dbraw/zinc/71/94/30/560719430.db2.gz	QHCYDLQJPIVUBF-LFIBNONCSA-N	-1	2	403.350	2.706	40	10		HFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1=O	ZINC000059679541	568710189	/nfs/dbraw/zinc/71/01/89/568710189.db2.gz	XCPSYOAEKUJGRT-LVLBFHFTSA-N	-1	2	408.410	2.767	40	10		HFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000009259689	132337723	/nfs/dbraw/zinc/33/77/23/132337723.db2.gz	SHNJCESDUMUPLB-IGWPVBGESA-N	-1	2	424.409	2.604	40	10		HFCBLM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(OCC(=O)[O-])c2)C1=O	ZINC000409073080	560673617	/nfs/dbraw/zinc/67/36/17/560673617.db2.gz	UURTVKIIHWDSDE-NVNXTCNLSA-N	-1	2	414.801	2.778	40	10		HFCBLM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)ccc21	ZINC000409188926	560688120	/nfs/dbraw/zinc/68/81/20/560688120.db2.gz	KQGRQPZHWIKBPB-VLURKWGBSA-N	-1	2	403.394	2.953	40	10		HFCBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1	ZINC000408938399	560656407	/nfs/dbraw/zinc/65/64/07/560656407.db2.gz	QIPLMNLXWMNONE-NTEUORMPSA-N	-1	2	415.199	2.814	40	10		HFCBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000408964882	560658971	/nfs/dbraw/zinc/65/89/71/560658971.db2.gz	IFWZBPLVASYHBR-LDADJPATSA-N	-1	2	419.368	2.981	40	10		HFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2O[C@H](C)C(=O)[O-])C1=O	ZINC000409192231	560689479	/nfs/dbraw/zinc/68/94/79/560689479.db2.gz	ACBPBVYNDYGEMC-MLDYKZIASA-N	-1	2	408.410	2.767	40	10		HFCBLM
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000009265224	132338012	/nfs/dbraw/zinc/33/80/12/132338012.db2.gz	BZVOQMSIFSAKGM-PDGQHHTCSA-N	-1	2	419.368	2.981	40	10		HFCBLM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)ccc21	ZINC000409188925	560688116	/nfs/dbraw/zinc/68/81/16/560688116.db2.gz	KQGRQPZHWIKBPB-LVLBFHFTSA-N	-1	2	403.394	2.953	40	10		HFCBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	ZINC000409230972	560700322	/nfs/dbraw/zinc/70/03/22/560700322.db2.gz	HJGUAKVHJJKGPG-FOWTUZBSSA-N	-1	2	419.368	2.981	40	10		HFCBLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409016723	560666621	/nfs/dbraw/zinc/66/66/21/560666621.db2.gz	VMPYWUFAKHLKOP-RKPNYOAGSA-N	-1	2	424.409	2.522	40	10		HFCBLM
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000108034566	569361187	/nfs/dbraw/zinc/36/11/87/569361187.db2.gz	HPBQGEBFMBPODW-GHXNOFRVSA-N	-1	2	404.176	2.524	40	10		HFCBLM
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000408847656	560646633	/nfs/dbraw/zinc/64/66/33/560646633.db2.gz	NWNGCJLEKCUSOM-WUXMJOGZSA-N	-1	2	405.725	2.759	40	10		HFCBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000408859727	560648032	/nfs/dbraw/zinc/64/80/32/560648032.db2.gz	YOOLRWMIHWWKMO-RNEAKCBISA-N	-1	2	424.409	2.604	40	10		HFCBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1Cl	ZINC000408992475	560662418	/nfs/dbraw/zinc/66/24/18/560662418.db2.gz	SVYRPEVBWJMDAA-ZSOIEALJSA-N	-1	2	414.801	2.778	40	10		HFCBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409192221	560689545	/nfs/dbraw/zinc/68/95/45/560689545.db2.gz	AAZQQHODILKBDK-LVLBFHFTSA-N	-1	2	408.410	2.767	40	10		HFCBLM
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409236227	560699099	/nfs/dbraw/zinc/69/90/99/560699099.db2.gz	FDJFIHNRRYRAQS-XDUBLRSXSA-N	-1	2	424.409	2.522	40	10		HFCBLM
O=c1ccc2c(-c3ccccc3S(=O)(=O)[O-])c3ccc(O)c(O)c3oc-2c1O	ZINC000003861600	568927898	/nfs/dbraw/zinc/92/78/98/568927898.db2.gz	JTZKNOUMMWIARI-UHFFFAOYSA-N	-1	2	400.364	2.928	40	10		HFCBLM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)C(=O)[O-]	ZINC000408847849	560646629	/nfs/dbraw/zinc/64/66/29/560646629.db2.gz	VZKALSGPMNMFGJ-YAFRSCOQSA-N	-1	2	414.801	2.858	40	10		HFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)c1C	ZINC000409193647	560689863	/nfs/dbraw/zinc/68/98/63/560689863.db2.gz	KGUAVLXMNLOKHS-DSQDWWTGSA-N	-1	2	408.410	2.822	40	10		HFCBLM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000059678603	568709842	/nfs/dbraw/zinc/70/98/42/568709842.db2.gz	HMCALRHVYBAJAE-MDWZMJQESA-N	-1	2	414.801	2.778	40	10		HFCBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2O[C@@H](C)C(=O)[O-])C1=O	ZINC000409192229	560689529	/nfs/dbraw/zinc/68/95/29/560689529.db2.gz	ACBPBVYNDYGEMC-HKJJFUAXSA-N	-1	2	408.410	2.767	40	10		HFCBLM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2OCC(=O)[O-])C1=O	ZINC000409039295	560668673	/nfs/dbraw/zinc/66/86/73/560668673.db2.gz	CHEREVQHGPTCGL-RIYZIHGNSA-N	-1	2	414.801	2.778	40	10		HFCBLM
O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000409057093	560670494	/nfs/dbraw/zinc/67/04/94/560670494.db2.gz	OXQRDZWLJGRASK-NTUHNPAUSA-N	-1	2	418.764	2.609	40	10		HFCBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)c1C	ZINC000409193649	560689876	/nfs/dbraw/zinc/68/98/76/560689876.db2.gz	KGUAVLXMNLOKHS-LUYJPIOASA-N	-1	2	408.410	2.822	40	10		HFCBLM
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)C(=O)[O-]	ZINC000409196342	560690449	/nfs/dbraw/zinc/69/04/49/560690449.db2.gz	ZDSHLCFSVMAWIH-ZRRZQRFHSA-N	-1	2	414.801	2.858	40	10		HFCBLM