smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1OC	ZINC000008819457	554704855	/nfs/dbraw/zinc/70/48/55/554704855.db2.gz	SXGUGUHNUCCNFC-ODLFYWEKSA-N	-1	3	493.006	4.683	40	10		JJCBHM
CCCCCCOc1c(Br)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OC	ZINC000033533386	569627430	/nfs/dbraw/zinc/62/74/30/569627430.db2.gz	BJKYSRPSNADLAW-LFIBNONCSA-N	-1	3	455.374	4.523	40	10		JJCBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1O	ZINC000102693054	569815869	/nfs/dbraw/zinc/81/58/69/569815869.db2.gz	JXQVHMLNHIEVKH-NJYVYQBISA-N	-1	3	455.297	4.750	40	10		JJCBHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NCCSc1ccc(C)cc1	ZINC000113471869	569861831	/nfs/dbraw/zinc/86/18/31/569861831.db2.gz	LQKWVAJPBDSBGT-JWGURIENSA-N	-1	3	480.615	4.526	40	10		JJCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1cccc(Cl)c1	ZINC000409026808	570104669	/nfs/dbraw/zinc/10/46/69/570104669.db2.gz	YUTVQNXTJHUHFI-MFOYZWKCSA-N	-1	3	495.782	4.797	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1[O-]	ZINC000409055948	570111712	/nfs/dbraw/zinc/11/17/12/570111712.db2.gz	QMOQSESKXUOWBM-SXGWCWSVSA-N	-1	3	450.379	4.873	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)=O	ZINC000409143438	570145769	/nfs/dbraw/zinc/14/57/69/570145769.db2.gz	FGMTXPDGSPSNOQ-YBFXNURJSA-N	-1	3	490.990	4.519	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c(Cl)c1	ZINC000409145175	570146521	/nfs/dbraw/zinc/14/65/21/570146521.db2.gz	MXHJXMAUMNLRGO-UNOMPAQXSA-N	-1	3	498.973	4.894	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)S1	ZINC000408554985	570196648	/nfs/dbraw/zinc/19/66/48/570196648.db2.gz	UVLBBGBWHCAMQJ-REZTVBANSA-N	-1	3	498.775	4.771	40	10		JJCBHM
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408586166	570208090	/nfs/dbraw/zinc/20/80/90/570208090.db2.gz	LQRNVVWIUHUMGL-YBEGLDIGSA-N	-1	3	493.151	4.794	40	10		JJCBHM
CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(N=C([O-])NC4CCCCC4)C3=O)o2)cc1	ZINC000009234544	555008025	/nfs/dbraw/zinc/00/80/25/555008025.db2.gz	UWBNVGVYHRPJQS-XSFVSMFZSA-N	-1	3	499.614	4.871	40	10		JJCBHM
CCOC(=O)c1ccc(-c2ccc(C=C3SC(=S)N([N-]C(=O)NC4CCCCC4)C3=O)o2)cc1	ZINC000009234544	555008028	/nfs/dbraw/zinc/00/80/28/555008028.db2.gz	UWBNVGVYHRPJQS-XSFVSMFZSA-N	-1	3	499.614	4.871	40	10		JJCBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000013660132	555555789	/nfs/dbraw/zinc/55/57/89/555555789.db2.gz	MAUORQKITLUXHE-ZNZIZOMTSA-N	-1	3	471.557	4.593	40	10		JJCBHM
COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000032110014	556420454	/nfs/dbraw/zinc/42/04/54/556420454.db2.gz	UIWDYZPTKGTDEL-RQZCQDPDSA-N	-1	3	451.331	4.687	40	10		JJCBHM
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1	ZINC000032109995	556420456	/nfs/dbraw/zinc/42/04/56/556420456.db2.gz	XZYAKFXTEBYSDC-WOJGMQOQSA-N	-1	3	475.364	4.533	40	10		JJCBHM
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000408891298	570065729	/nfs/dbraw/zinc/06/57/29/570065729.db2.gz	OERKMKOICSERKI-UHFFFAOYSA-N	-1	3	493.313	4.747	40	10		JJCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000409026741	570104576	/nfs/dbraw/zinc/10/45/76/570104576.db2.gz	WRZSTJBPIOJWJB-MFOYZWKCSA-N	-1	3	495.782	4.797	40	10		JJCBHM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1	ZINC000408532207	570188412	/nfs/dbraw/zinc/18/84/12/570188412.db2.gz	MCPGLEQRQKFQQP-LGMDPLHJSA-N	-1	3	450.930	4.631	40	10		JJCBHM
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408587779	570208435	/nfs/dbraw/zinc/20/84/35/570208435.db2.gz	UMFYEYUVMVVXTK-DHDCSXOGSA-N	-1	3	478.726	4.694	40	10		JJCBHM
CCCCN1c2nc3ccccc3n2[C@@H](c2c([O-])ccc3ccccc32)[C@@H](C(=O)OCC)C1=O	ZINC000020675462	195200082	/nfs/dbraw/zinc/20/00/82/195200082.db2.gz	JAHDVNKASWTDBU-RPWUZVMVSA-N	-1	3	457.530	4.811	40	10		JJCBHM
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000022509849	526681440	/nfs/dbraw/zinc/68/14/40/526681440.db2.gz	POHMSJJMVBSPHO-UHFFFAOYSA-N	-1	3	469.994	4.671	40	10		JJCBHM
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1[O-]	ZINC000001181204	553928801	/nfs/dbraw/zinc/92/88/01/553928801.db2.gz	ZTZPFFJEDZTINA-CXUHLZMHSA-N	-1	3	453.372	4.929	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018009027	556275667	/nfs/dbraw/zinc/27/56/67/556275667.db2.gz	RYIRWLSHRZQQGU-QKDODKLFSA-N	-1	3	463.537	4.957	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)cc1	ZINC000018058651	556280988	/nfs/dbraw/zinc/28/09/88/556280988.db2.gz	GOPYGJAUHOZQFQ-VJBWXMMDSA-N	-1	3	492.373	4.566	40	10		JJCBHM
CCCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1	ZINC000095630008	569728362	/nfs/dbraw/zinc/72/83/62/569728362.db2.gz	RMIKWGWBLWYHJM-NXCFDTQHSA-N	-1	3	471.557	4.593	40	10		JJCBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000100953470	569777689	/nfs/dbraw/zinc/77/76/89/569777689.db2.gz	MAUORQKITLUXHE-GSDHBNRESA-N	-1	3	471.557	4.593	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1	ZINC000101155940	569784853	/nfs/dbraw/zinc/78/48/53/569784853.db2.gz	HTWFYLIVGNAONG-VABKMULXSA-N	-1	3	465.912	4.596	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102710737	569816974	/nfs/dbraw/zinc/81/69/74/569816974.db2.gz	RYIRWLSHRZQQGU-KWXIBIRDSA-N	-1	3	463.537	4.957	40	10		JJCBHM
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1[O-]	ZINC000409041756	570107623	/nfs/dbraw/zinc/10/76/23/570107623.db2.gz	VNFABKFYVVNELJ-FPYGCLRLSA-N	-1	3	477.183	4.665	40	10		JJCBHM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2ccc(Br)c(C)c2)c1=O	ZINC000408530487	570187665	/nfs/dbraw/zinc/18/76/65/570187665.db2.gz	IYTIMSWMAOTKMF-VBKFSLOCSA-N	-1	3	497.397	4.904	40	10		JJCBHM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1ccc2c(c1)n(C)c(=O)n2C	ZINC000408534397	570189479	/nfs/dbraw/zinc/18/94/79/570189479.db2.gz	QUVKIEILLYPYMX-LCYFTJDESA-N	-1	3	464.740	4.556	40	10		JJCBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1O	ZINC000002409893	554191249	/nfs/dbraw/zinc/19/12/49/554191249.db2.gz	HSDWLWOJDSTNLY-VSKRKVRLSA-N	-1	3	479.330	4.514	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)ccc2O)cc1	ZINC000017968480	556273623	/nfs/dbraw/zinc/27/36/23/556273623.db2.gz	MCTZZBJYGKWRPP-FSSWDIPSSA-N	-1	3	479.330	4.514	40	10		JJCBHM
Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1	ZINC000018043981	556279355	/nfs/dbraw/zinc/27/93/55/556279355.db2.gz	PWQXOIODGMEKMN-VXNXHJTFSA-N	-1	3	461.949	4.766	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000018043813	556279445	/nfs/dbraw/zinc/27/94/45/556279445.db2.gz	MJQICELWPUGOSS-SMIHKQSGSA-N	-1	3	461.949	4.766	40	10		JJCBHM
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(Br)cc1	ZINC000032109968	556420207	/nfs/dbraw/zinc/42/02/07/556420207.db2.gz	XIWFBVOQYPXJQP-YBFXNURJSA-N	-1	3	475.364	4.533	40	10		JJCBHM
CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]C(=O)c2ccccc2Br)C1=O	ZINC000032701808	556472256	/nfs/dbraw/zinc/47/22/56/556472256.db2.gz	DPFGWOIPAPQRCF-QKIOLIMFSA-N	-1	3	459.390	4.942	40	10		JJCBHM
O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2nsnc2c1	ZINC000059294346	569602543	/nfs/dbraw/zinc/60/25/43/569602543.db2.gz	SZFZWKVNGDTLBB-UHFFFAOYSA-N	-1	3	452.948	4.703	40	10		JJCBHM
O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1ccc(F)cc1	ZINC000102759809	569821819	/nfs/dbraw/zinc/82/18/19/569821819.db2.gz	GOSURHXZEBZUIP-ZJOUEHCJSA-N	-1	3	473.287	4.889	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCC(C)CC2)cc1	ZINC000222631369	569887366	/nfs/dbraw/zinc/88/73/66/569887366.db2.gz	WVQPHEIQAGXHKA-MRXNPFEDSA-N	-1	3	467.429	4.734	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1[O-]	ZINC000408901215	570068609	/nfs/dbraw/zinc/06/86/09/570068609.db2.gz	CDBSECBSGGDAQZ-XNTDXEJSSA-N	-1	3	483.352	4.801	40	10		JJCBHM
Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2c(cc1N1CCCC1)n(C)c(=O)n2C	ZINC000408526646	570186084	/nfs/dbraw/zinc/18/60/84/570186084.db2.gz	BWVVORBVEYTWQL-SSZFMOIBSA-N	-1	3	499.402	4.503	40	10		JJCBHM
CCn1c2ccc(N=Cc3c(C)[n-]n(-c4cc(Cl)ccc4Cl)c3=O)cc2n(CC)c1=O	ZINC000408532468	570188526	/nfs/dbraw/zinc/18/85/26/570188526.db2.gz	MUTNZGLYTOFHDW-VBKFSLOCSA-N	-1	3	458.349	4.868	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)S1	ZINC000408552505	570195530	/nfs/dbraw/zinc/19/55/30/570195530.db2.gz	JBQKLZFIQUJQSJ-REZTVBANSA-N	-1	3	498.775	4.771	40	10		JJCBHM
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000014406708	555808546	/nfs/dbraw/zinc/80/85/46/555808546.db2.gz	ALGKWVIBZPOTIZ-UYRXBGFRSA-N	-1	3	472.335	4.821	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)S1	ZINC000032111762	556420474	/nfs/dbraw/zinc/42/04/74/556420474.db2.gz	WHDPHMBKZJZJDU-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000032109996	556420494	/nfs/dbraw/zinc/42/04/94/556420494.db2.gz	ANRVSYHPXPEGPI-RQZCQDPDSA-N	-1	3	451.331	4.687	40	10		JJCBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O	ZINC000102755871	569821335	/nfs/dbraw/zinc/82/13/35/569821335.db2.gz	KBNJRCDQXSCABO-ACRUOGEOSA-N	-1	3	499.748	4.859	40	10		JJCBHM
Cn1c2ccccc2c([O-])c(C(=O)C[C@H]([NH2+]Cc2ccncc2)c2c([O-])ccc3ccccc32)c1=O	ZINC000104827511	569846534	/nfs/dbraw/zinc/84/65/34/569846534.db2.gz	XWYVPRCJNWEOPS-QFIPXVFZSA-N	-1	3	479.536	4.602	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(I)c1[O-]	ZINC000409057682	570112602	/nfs/dbraw/zinc/11/26/02/570112602.db2.gz	QHKQXZJHVLPNJB-SXGWCWSVSA-N	-1	3	497.379	4.715	40	10		JJCBHM
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC	ZINC000409144090	570145964	/nfs/dbraw/zinc/14/59/64/570145964.db2.gz	ICMWNFLJUWNQRG-XDHOZWIPSA-N	-1	3	477.007	4.992	40	10		JJCBHM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O	ZINC000408529993	570187580	/nfs/dbraw/zinc/18/75/80/570187580.db2.gz	IJBSYUXRWBQCLR-VBKFSLOCSA-N	-1	3	497.397	4.904	40	10		JJCBHM
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000408532857	570188807	/nfs/dbraw/zinc/18/88/07/570188807.db2.gz	WJZXBLLDTGVHQC-NVMNQCDNSA-N	-1	3	495.435	4.911	40	10		JJCBHM
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1[O-]	ZINC000409330761	570204077	/nfs/dbraw/zinc/20/40/77/570204077.db2.gz	MJOBPRBQEPJUHO-NVNXTCNLSA-N	-1	3	481.349	4.867	40	10		JJCBHM
CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc(I)c1[O-]	ZINC000012411354	520622140	/nfs/dbraw/zinc/62/21/40/520622140.db2.gz	GLOQNNFAOYOKCO-VIZOYTHASA-N	-1	3	482.705	4.855	40	10		JJCBHM
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(I)c1[O-]	ZINC000009233773	555006840	/nfs/dbraw/zinc/00/68/40/555006840.db2.gz	QJBQJZKXMPHXSZ-NTEUORMPSA-N	-1	3	475.373	4.539	40	10		JJCBHM
CC(=Nc1ccc(Cn2cnnc2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000020288201	555757021	/nfs/dbraw/zinc/75/70/21/555757021.db2.gz	JADYXOCKVYKANT-MOHJPFBDSA-N	-1	3	452.493	4.603	40	10		JJCBHM
COc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000032110018	556420445	/nfs/dbraw/zinc/42/04/45/556420445.db2.gz	HQQKYJRIBKVWNK-QGMBQPNBSA-N	-1	3	451.331	4.687	40	10		JJCBHM
O=C1c2ccccc2C(=O)c2c(Nc3ccccc3)c(OS(=O)(=O)c3ccccc3)cc([O-])c21	ZINC000085409627	569710311	/nfs/dbraw/zinc/71/03/11/569710311.db2.gz	XXRDXHKDDIADQR-UHFFFAOYSA-N	-1	3	471.490	4.679	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1	ZINC000100517466	569763367	/nfs/dbraw/zinc/76/33/67/569763367.db2.gz	MCTZZBJYGKWRPP-VSKRKVRLSA-N	-1	3	479.330	4.514	40	10		JJCBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000100953475	569777725	/nfs/dbraw/zinc/77/77/25/569777725.db2.gz	MAUORQKITLUXHE-CYXNTTPDSA-N	-1	3	471.557	4.593	40	10		JJCBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000102740219	569819159	/nfs/dbraw/zinc/81/91/59/569819159.db2.gz	SWQASVHFACEOHY-JAXLGGSGSA-N	-1	3	485.323	4.759	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc(Cl)c1OC	ZINC000409141535	570144885	/nfs/dbraw/zinc/14/48/85/570144885.db2.gz	AAGRBTXSPPNYKE-SXGWCWSVSA-N	-1	3	483.398	4.865	40	10		JJCBHM
CCCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1	ZINC000006142032	520474428	/nfs/dbraw/zinc/47/44/28/520474428.db2.gz	RMIKWGWBLWYHJM-CYXNTTPDSA-N	-1	3	471.557	4.593	40	10		JJCBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cc(Br)ccc1O	ZINC000018125159	527111357	/nfs/dbraw/zinc/11/13/57/527111357.db2.gz	FMXXKQPNYONAHS-HKBOAZHASA-N	-1	3	499.748	4.859	40	10		JJCBHM
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)ccc1[O-]	ZINC000002454616	554222180	/nfs/dbraw/zinc/22/21/80/554222180.db2.gz	XLOBETGGHRMOCR-SXGWCWSVSA-N	-1	3	453.372	4.929	40	10		JJCBHM
O=C(COc1ccc(Cl)cc1Cl)[N-]N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000008765667	554666230	/nfs/dbraw/zinc/66/62/30/554666230.db2.gz	NRXXPTZJFSWHCP-CHHVJCJISA-N	-1	3	473.790	4.958	40	10		JJCBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000008915095	554808404	/nfs/dbraw/zinc/80/84/04/554808404.db2.gz	MAUORQKITLUXHE-NXCFDTQHSA-N	-1	3	471.557	4.593	40	10		JJCBHM
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O	ZINC000009308338	555082263	/nfs/dbraw/zinc/08/22/63/555082263.db2.gz	YRJJLAGRSUMRBJ-SJBKTWHCSA-N	-1	3	485.323	4.759	40	10		JJCBHM
Cc1ccc(CN2C(=O)/C(=C/c3ccc([O-])c(I)c3)SC2=S)cc1	ZINC000016292286	556133925	/nfs/dbraw/zinc/13/39/25/556133925.db2.gz	ADKMKQYCJVGARK-SXGWCWSVSA-N	-1	3	467.353	4.707	40	10		JJCBHM
CCCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(N(C)C)cc1	ZINC000095630007	569728356	/nfs/dbraw/zinc/72/83/56/569728356.db2.gz	RMIKWGWBLWYHJM-GSDHBNRESA-N	-1	3	471.557	4.593	40	10		JJCBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cc(Br)ccc1O	ZINC000100595366	569765439	/nfs/dbraw/zinc/76/54/39/569765439.db2.gz	FMXXKQPNYONAHS-ACRUOGEOSA-N	-1	3	499.748	4.859	40	10		JJCBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1O	ZINC000100901414	569774829	/nfs/dbraw/zinc/77/48/29/569774829.db2.gz	HSDWLWOJDSTNLY-BDTNDASRSA-N	-1	3	479.330	4.514	40	10		JJCBHM
O=C1C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1ccc(F)cc1	ZINC000102759812	569821807	/nfs/dbraw/zinc/82/18/07/569821807.db2.gz	GOSURHXZEBZUIP-DYXWJJEUSA-N	-1	3	473.287	4.889	40	10		JJCBHM
CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1[O-]	ZINC000110422505	569860709	/nfs/dbraw/zinc/86/07/09/569860709.db2.gz	ISNMWTZHAAMXGF-LSCVHKIXSA-N	-1	3	493.050	4.893	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC	ZINC000409144566	570146285	/nfs/dbraw/zinc/14/62/85/570146285.db2.gz	KNQIXJXTACICDF-WOJGMQOQSA-N	-1	3	462.980	4.602	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c(Cl)c1	ZINC000409145944	570146895	/nfs/dbraw/zinc/14/68/95/570146895.db2.gz	PEBZUYAILJDPGJ-NVNXTCNLSA-N	-1	3	468.343	4.756	40	10		JJCBHM
CCOc1c(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cccc1OC	ZINC000409162043	570152348	/nfs/dbraw/zinc/15/23/48/570152348.db2.gz	QOKKWRUSODSISY-GZTJUZNOSA-N	-1	3	462.980	4.602	40	10		JJCBHM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	ZINC000408533952	570189214	/nfs/dbraw/zinc/18/92/14/570189214.db2.gz	PQBGSKUAKWNPNC-CYVLTUHYSA-N	-1	3	493.011	4.548	40	10		JJCBHM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1	ZINC000408534818	570189628	/nfs/dbraw/zinc/18/96/28/570189628.db2.gz	RIIODOGGQDUEKU-CYVLTUHYSA-N	-1	3	452.518	4.740	40	10		JJCBHM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccncc1	ZINC000032109647	556419862	/nfs/dbraw/zinc/41/98/62/556419862.db2.gz	QWUMRIZJTHRDMX-ODLFYWEKSA-N	-1	3	481.375	4.923	40	10		JJCBHM
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O	ZINC000101199918	569786994	/nfs/dbraw/zinc/78/69/94/569786994.db2.gz	YRJJLAGRSUMRBJ-URVUXULASA-N	-1	3	485.323	4.759	40	10		JJCBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1O	ZINC000102693051	569815866	/nfs/dbraw/zinc/81/58/66/569815866.db2.gz	JXQVHMLNHIEVKH-HBMCJLEFSA-N	-1	3	455.297	4.750	40	10		JJCBHM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cn2cnnc2)cc1	ZINC000103918644	569839176	/nfs/dbraw/zinc/83/91/76/569839176.db2.gz	YEPZMWJOSXGLML-JWGURIENSA-N	-1	3	457.563	4.825	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000223072440	569898604	/nfs/dbraw/zinc/89/86/04/569898604.db2.gz	PXEHUYOAYOUPCA-CVEARBPZSA-N	-1	3	467.429	4.734	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)S1	ZINC000409088905	570124067	/nfs/dbraw/zinc/12/40/67/570124067.db2.gz	HNISOVRGNCWDBK-FRKPEAEDSA-N	-1	3	466.302	4.587	40	10		JJCBHM
CCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	ZINC000409141938	570144992	/nfs/dbraw/zinc/14/49/92/570144992.db2.gz	CJMVREMOHCTKQX-UNOMPAQXSA-N	-1	3	477.007	4.992	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000260813152	570159133	/nfs/dbraw/zinc/15/91/33/570159133.db2.gz	PXEHUYOAYOUPCA-JKSUJKDBSA-N	-1	3	467.429	4.734	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1[O-]	ZINC000409329040	570203196	/nfs/dbraw/zinc/20/31/96/570203196.db2.gz	CCMFHNMFTZMDFL-FRKPEAEDSA-N	-1	3	480.361	4.688	40	10		JJCBHM
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[O-])C2=O)cc1	ZINC000008820067	554706502	/nfs/dbraw/zinc/70/65/02/554706502.db2.gz	TWTFGCLUICFOSL-HKWRFOASSA-N	-1	3	484.599	4.579	40	10		JJCBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2O)c1	ZINC000009210005	554979266	/nfs/dbraw/zinc/97/92/66/554979266.db2.gz	IRMJANOKFATPBX-VSKRKVRLSA-N	-1	3	479.330	4.514	40	10		JJCBHM
Cc1c(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc2n1C	ZINC000009235408	555009494	/nfs/dbraw/zinc/00/94/94/555009494.db2.gz	NUUIQAIXCFDARM-YBFXNURJSA-N	-1	3	455.992	4.995	40	10		JJCBHM
CCOc1cc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000013915498	555647300	/nfs/dbraw/zinc/64/73/00/555647300.db2.gz	CHRKTNVPEOGITB-OVCLIPMQSA-N	-1	3	482.705	4.855	40	10		JJCBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cc(Br)ccc1O	ZINC000018140402	556292801	/nfs/dbraw/zinc/29/28/01/556292801.db2.gz	FMXXKQPNYONAHS-NJYVYQBISA-N	-1	3	499.748	4.859	40	10		JJCBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000101099682	569782602	/nfs/dbraw/zinc/78/26/02/569782602.db2.gz	SWQASVHFACEOHY-URVUXULASA-N	-1	3	485.323	4.759	40	10		JJCBHM
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O	ZINC000101199928	569786975	/nfs/dbraw/zinc/78/69/75/569786975.db2.gz	YRJJLAGRSUMRBJ-VWPQPMDRSA-N	-1	3	485.323	4.759	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1[O-]	ZINC000110422501	569860759	/nfs/dbraw/zinc/86/07/59/569860759.db2.gz	YLINFOAMLKVSGA-IDUWFGFVSA-N	-1	3	479.023	4.503	40	10		JJCBHM
COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000408878513	570062208	/nfs/dbraw/zinc/06/22/08/570062208.db2.gz	ABNOWNAIDUPJDI-UHFFFAOYSA-N	-1	3	464.930	4.803	40	10		JJCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(Cl)c1	ZINC000409025421	570104176	/nfs/dbraw/zinc/10/41/76/570104176.db2.gz	QYMYPXJZWJUBOS-MFOYZWKCSA-N	-1	3	451.331	4.687	40	10		JJCBHM
CCOc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccc(F)cc1	ZINC000409026540	570104553	/nfs/dbraw/zinc/10/45/53/570104553.db2.gz	RRKZSBPVKFJSIP-ZDLGFXPLSA-N	-1	3	493.354	4.672	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)S1	ZINC000409026908	570104724	/nfs/dbraw/zinc/10/47/24/570104724.db2.gz	FUCKAQRBTLVDBY-MFOYZWKCSA-N	-1	3	465.756	4.788	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1	ZINC000409146072	570147005	/nfs/dbraw/zinc/14/70/05/570147005.db2.gz	QTRDGYOUORDMOI-NVNXTCNLSA-N	-1	3	468.343	4.756	40	10		JJCBHM
COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1Br	ZINC000409149876	570148769	/nfs/dbraw/zinc/14/87/69/570148769.db2.gz	TYOQBCISLGCOQM-CXUHLZMHSA-N	-1	3	497.823	4.966	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1[O-]	ZINC000409205614	570167107	/nfs/dbraw/zinc/16/71/07/570167107.db2.gz	RPZNHNCEAQXARE-OQLLNIDSSA-N	-1	3	453.383	4.509	40	10		JJCBHM
CCn1c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)cc4C)c3=O)cc2n(CC)c1=O	ZINC000408526636	570186116	/nfs/dbraw/zinc/18/61/16/570186116.db2.gz	BVZFOKCGZNZFNM-AQTBWJFISA-N	-1	3	482.382	4.632	40	10		JJCBHM
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408585724	570208022	/nfs/dbraw/zinc/20/80/22/570208022.db2.gz	HQAHNQKFLDLFMN-SXGWCWSVSA-N	-1	3	462.727	4.994	40	10		JJCBHM
CCCCN1c2nc3ccccc3n2[C@H](c2c([O-])ccc3ccccc32)[C@@H](C(=O)OCC)C1=O	ZINC000020675456	195200074	/nfs/dbraw/zinc/20/00/74/195200074.db2.gz	JAHDVNKASWTDBU-DNQXCXABSA-N	-1	3	457.530	4.811	40	10		JJCBHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2Cl)cc1	ZINC000020110547	555646575	/nfs/dbraw/zinc/64/65/75/555646575.db2.gz	RGYPXCHGKJVMFB-UHFFFAOYSA-N	-1	3	484.021	4.979	40	10		JJCBHM
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000014406742	555808536	/nfs/dbraw/zinc/80/85/36/555808536.db2.gz	KXWJTWNSAUXXRY-SXGWCWSVSA-N	-1	3	493.151	4.794	40	10		JJCBHM
COc1cc(/C=C2\SC(N(C)c3ccc(Cl)cc3)=NC2=O)cc(Br)c1[O-]	ZINC000015016195	555857095	/nfs/dbraw/zinc/85/70/95/555857095.db2.gz	QQQRZBIDFUXRCM-DHDCSXOGSA-N	-1	3	453.745	4.923	40	10		JJCBHM
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2O)cc1	ZINC000101060890	569780772	/nfs/dbraw/zinc/78/07/72/569780772.db2.gz	ALABFLUHXVUNGN-SDHSZQHLSA-N	-1	3	458.514	4.622	40	10		JJCBHM
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000102740226	569819235	/nfs/dbraw/zinc/81/92/35/569819235.db2.gz	SWQASVHFACEOHY-RZUBCFFCSA-N	-1	3	485.323	4.759	40	10		JJCBHM
Cn1c2ccccc2c([O-])c(C(=O)C[C@@H]([NH2+]Cc2ccncc2)c2c([O-])ccc3ccccc32)c1=O	ZINC000104827514	569846589	/nfs/dbraw/zinc/84/65/89/569846589.db2.gz	XWYVPRCJNWEOPS-JOCHJYFZSA-N	-1	3	479.536	4.602	40	10		JJCBHM
CCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OCC)c2)C(=O)N(c2ccccc2)C1=S	ZINC000409021486	570103124	/nfs/dbraw/zinc/10/31/24/570103124.db2.gz	JYGQOCHRPGTYQX-LFIBNONCSA-N	-1	3	489.391	4.507	40	10		JJCBHM
COc1ccc(Br)cc1/C=C1/SC(=S)N([N-]C(=O)c2ccc(C)cc2Cl)C1=O	ZINC000409149705	570148746	/nfs/dbraw/zinc/14/87/46/570148746.db2.gz	OBLHTWYKLFTXDH-CXUHLZMHSA-N	-1	3	497.823	4.966	40	10		JJCBHM
COc1cc(COc2ccccc2/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCc1ccccc1	ZINC000408540002	570191371	/nfs/dbraw/zinc/19/13/71/570191371.db2.gz	LPCSBXHAOWOJRH-MFKUBSTISA-N	-1	3	488.565	4.960	40	10		JJCBHM
O=C1C(=Cc2cc(Br)ccc2[O-])C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	ZINC000003130022	194229579	/nfs/dbraw/zinc/22/95/79/194229579.db2.gz	GTFVAEUEZYGYBV-UHFFFAOYSA-N	-1	3	479.355	4.903	40	10		JJCBHM
CCCCN1c2nc3ccccc3n2[C@@H](c2c([O-])ccc3ccccc32)[C@H](C(=O)OCC)C1=O	ZINC000020675459	195200087	/nfs/dbraw/zinc/20/00/87/195200087.db2.gz	JAHDVNKASWTDBU-ZEQRLZLVSA-N	-1	3	457.530	4.811	40	10		JJCBHM
COc1ccc(CN2C(=O)/C(=C\c3cc(Br)c([O-])c(OC)c3)SC2=S)cc1	ZINC000006645110	554557502	/nfs/dbraw/zinc/55/75/02/554557502.db2.gz	HCVQVQWKSKJUSO-CXUHLZMHSA-N	-1	3	466.378	4.573	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc(Cl)c2)S1	ZINC000032110004	556420487	/nfs/dbraw/zinc/42/04/87/556420487.db2.gz	RCFLAVSPXPPICD-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
CCOc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccc(C)cc1	ZINC000032109999	556420516	/nfs/dbraw/zinc/42/05/16/556420516.db2.gz	CZNMAGHCLHGNPP-YBFXNURJSA-N	-1	3	489.391	4.842	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)ccc2O)cc1	ZINC000100517459	569763340	/nfs/dbraw/zinc/76/33/40/569763340.db2.gz	MCTZZBJYGKWRPP-FKBYEOEOSA-N	-1	3	479.330	4.514	40	10		JJCBHM
O=C1C(=Cc2cc(Br)ccc2[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	ZINC000408896930	570067267	/nfs/dbraw/zinc/06/72/67/570067267.db2.gz	UXEUIAMHGZHODJ-UHFFFAOYSA-N	-1	3	463.287	4.738	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c(Cl)c1	ZINC000409146393	570147126	/nfs/dbraw/zinc/14/71/26/570147126.db2.gz	RTBVFMSHIUBGIK-OQLLNIDSSA-N	-1	3	467.797	4.957	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	ZINC000260813150	570159148	/nfs/dbraw/zinc/15/91/48/570159148.db2.gz	PXEHUYOAYOUPCA-HOTGVXAUSA-N	-1	3	467.429	4.734	40	10		JJCBHM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCCC1	ZINC000408526594	570186102	/nfs/dbraw/zinc/18/61/02/570186102.db2.gz	BPRCKWCYNGIQCX-LGMDPLHJSA-N	-1	3	464.957	4.939	40	10		JJCBHM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C	ZINC000408533640	570189110	/nfs/dbraw/zinc/18/91/10/570189110.db2.gz	OQXXXUIIWNCIMO-PYCFMQQDSA-N	-1	3	494.599	4.739	40	10		JJCBHM
CCn1c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4C)c3=O)cc2n(CC)c1=O	ZINC000408535885	570190170	/nfs/dbraw/zinc/19/01/70/570190170.db2.gz	UJTUXOWFXZVUCP-AQTBWJFISA-N	-1	3	496.409	4.941	40	10		JJCBHM
CCCCCCOc1c(Br)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000408541012	570191512	/nfs/dbraw/zinc/19/15/12/570191512.db2.gz	XGOKLGOTOGNRCI-SFQUDFHCSA-N	-1	3	469.401	4.913	40	10		JJCBHM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000001184305	194063883	/nfs/dbraw/zinc/06/38/83/194063883.db2.gz	ALXLCWLDIAZQMY-WOJGMQOQSA-N	-1	3	462.980	4.674	40	10		JJCBHM
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1[O-]	ZINC000008819987	554706280	/nfs/dbraw/zinc/70/62/80/554706280.db2.gz	AYIUFUHJGASZTQ-MOSHPQCFSA-N	-1	3	470.572	4.521	40	10		JJCBHM
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000011859251	555838570	/nfs/dbraw/zinc/83/85/70/555838570.db2.gz	SUSDHPZZPZIMDQ-ZEVJAHDQSA-N	-1	3	497.517	4.817	40	10		JJCBHM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)c1O	ZINC000017995255	556275044	/nfs/dbraw/zinc/27/50/44/556275044.db2.gz	SWQASVHFACEOHY-ONTIZHBOSA-N	-1	3	485.323	4.759	40	10		JJCBHM
COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2ccccc2[O-])cc1OC	ZINC000019325983	556341619	/nfs/dbraw/zinc/34/16/19/556341619.db2.gz	QMSQMZBUJZMJQD-UHFFFAOYSA-N	-1	3	478.589	4.833	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)S1	ZINC000032111760	556420449	/nfs/dbraw/zinc/42/04/49/556420449.db2.gz	CASPRWQRDBHTRV-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000100871119	569772983	/nfs/dbraw/zinc/77/29/83/569772983.db2.gz	MJQICELWPUGOSS-VXNXHJTFSA-N	-1	3	461.949	4.766	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1	ZINC000100977563	569778514	/nfs/dbraw/zinc/77/85/14/569778514.db2.gz	RYIRWLSHRZQQGU-PVHODMMVSA-N	-1	3	463.537	4.957	40	10		JJCBHM
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccc([O-])cc1	ZINC000408847106	570054757	/nfs/dbraw/zinc/05/47/57/570054757.db2.gz	ZPBNESLDWAZVQK-CPNJWEJPSA-N	-1	3	464.275	4.897	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)C	ZINC000409139337	570143726	/nfs/dbraw/zinc/14/37/26/570143726.db2.gz	CWMIJLYESOTBHC-ODLFYWEKSA-N	-1	3	477.007	4.990	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)c(Cl)c1	ZINC000409139310	570143750	/nfs/dbraw/zinc/14/37/50/570143750.db2.gz	CMMBNXQWEOSJPG-CPNJWEJPSA-N	-1	3	458.008	4.795	40	10		JJCBHM
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c(OCC)c1	ZINC000409147716	570147768	/nfs/dbraw/zinc/14/77/68/570147768.db2.gz	ZYPVOAWTTGNTJO-YBFXNURJSA-N	-1	3	477.007	4.992	40	10		JJCBHM
COc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O	ZINC000013804487	555622599	/nfs/dbraw/zinc/62/25/99/555622599.db2.gz	YRJJLAGRSUMRBJ-ONTIZHBOSA-N	-1	3	485.323	4.759	40	10		JJCBHM
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(OC)c3)SC2=S)cc1	ZINC000026580380	556257532	/nfs/dbraw/zinc/25/75/32/556257532.db2.gz	KUXDZDCZZJTMTJ-MHWRWJLKSA-N	-1	3	494.388	4.746	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1	ZINC000017838224	556268400	/nfs/dbraw/zinc/26/84/00/556268400.db2.gz	HTWFYLIVGNAONG-VJBWXMMDSA-N	-1	3	465.912	4.596	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)S1	ZINC000032109969	556420219	/nfs/dbraw/zinc/42/02/19/556420219.db2.gz	WRLDHTQXGIWOFZ-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000090443216	569720767	/nfs/dbraw/zinc/72/07/67/569720767.db2.gz	MJQICELWPUGOSS-HJOGWXRNSA-N	-1	3	461.949	4.766	40	10		JJCBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)ccc2O)c1	ZINC000100899062	569774767	/nfs/dbraw/zinc/77/47/67/569774767.db2.gz	IRMJANOKFATPBX-FSSWDIPSSA-N	-1	3	479.330	4.514	40	10		JJCBHM
CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000036613188	569778144	/nfs/dbraw/zinc/77/81/44/569778144.db2.gz	SJBMSLUDVQWQTO-ATVHPVEESA-N	-1	3	464.406	4.997	40	10		JJCBHM
Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1	ZINC000101024907	569779785	/nfs/dbraw/zinc/77/97/85/569779785.db2.gz	PWQXOIODGMEKMN-SMIHKQSGSA-N	-1	3	461.949	4.766	40	10		JJCBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O	ZINC000169682756	569871043	/nfs/dbraw/zinc/87/10/43/569871043.db2.gz	TUTOBFTYNPYTLB-ACRUOGEOSA-N	-1	3	499.748	4.859	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(N2CCC(C)CC2)cc1	ZINC000222631304	569887334	/nfs/dbraw/zinc/88/73/34/569887334.db2.gz	WVQPHEIQAGXHKA-INIZCTEOSA-N	-1	3	467.429	4.734	40	10		JJCBHM
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c([O-])ccc4ccccc43)C(C(=O)OC)=C2C)cc1	ZINC000409013682	570100398	/nfs/dbraw/zinc/10/03/98/570100398.db2.gz	CSQQIKCWDJRXOH-JCMHNJIXSA-N	-1	3	457.482	4.599	40	10		JJCBHM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2ccc(C)c(Cl)c2)c1=O	ZINC000408533062	570188824	/nfs/dbraw/zinc/18/88/24/570188824.db2.gz	NZPBIRLYEIMCBE-VBKFSLOCSA-N	-1	3	452.946	4.795	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1[O-]	ZINC000409326371	570202185	/nfs/dbraw/zinc/20/21/85/570202185.db2.gz	BABCJRBQBKCOBK-AUWJEWJLSA-N	-1	3	487.315	4.550	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1[O-]	ZINC000409331291	570204350	/nfs/dbraw/zinc/20/43/50/570204350.db2.gz	NUXCKGLICPMQGT-DHDCSXOGSA-N	-1	3	483.352	4.720	40	10		JJCBHM
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408583300	570207193	/nfs/dbraw/zinc/20/71/93/570207193.db2.gz	HCLPSEDNZAVLKE-YVLHZVERSA-N	-1	3	460.349	4.754	40	10		JJCBHM
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1[O-]	ZINC000408584986	570207848	/nfs/dbraw/zinc/20/78/48/570207848.db2.gz	XKKDRHMQQPPMFV-ZSOIEALJSA-N	-1	3	466.690	4.824	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2O)cc1	ZINC000006142056	524928825	/nfs/dbraw/zinc/92/88/25/524928825.db2.gz	MCTZZBJYGKWRPP-BDTNDASRSA-N	-1	3	479.330	4.514	40	10		JJCBHM
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[O-])C2=O)cc1OC	ZINC000008819925	554706083	/nfs/dbraw/zinc/70/60/83/554706083.db2.gz	KMTGRPDUMLORCF-QNGOZBTKSA-N	-1	3	486.615	4.810	40	10		JJCBHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2O)cc1	ZINC000009331796	555101423	/nfs/dbraw/zinc/10/14/23/555101423.db2.gz	ALABFLUHXVUNGN-GVAUOCQISA-N	-1	3	458.514	4.622	40	10		JJCBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O	ZINC000013768252	555613460	/nfs/dbraw/zinc/61/34/60/555613460.db2.gz	HSDWLWOJDSTNLY-FKBYEOEOSA-N	-1	3	479.330	4.514	40	10		JJCBHM
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1C	ZINC000020287649	555756073	/nfs/dbraw/zinc/75/60/73/555756073.db2.gz	NWJYVQFLVKKCAQ-MOSHPQCFSA-N	-1	3	454.939	4.910	40	10		JJCBHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)Nc1ccc(Cl)cc1C	ZINC000020287649	555756076	/nfs/dbraw/zinc/75/60/76/555756076.db2.gz	NWJYVQFLVKKCAQ-MOSHPQCFSA-N	-1	3	454.939	4.910	40	10		JJCBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000018190556	556300886	/nfs/dbraw/zinc/30/08/86/556300886.db2.gz	MJQICELWPUGOSS-SGNDLWITSA-N	-1	3	461.949	4.766	40	10		JJCBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cc(Br)ccc1O	ZINC000100595371	569765456	/nfs/dbraw/zinc/76/54/56/569765456.db2.gz	FMXXKQPNYONAHS-HBMCJLEFSA-N	-1	3	499.748	4.859	40	10		JJCBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)ccc2O)c1	ZINC000100899065	569774734	/nfs/dbraw/zinc/77/47/34/569774734.db2.gz	IRMJANOKFATPBX-BDTNDASRSA-N	-1	3	479.330	4.514	40	10		JJCBHM
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101026343	569780025	/nfs/dbraw/zinc/78/00/25/569780025.db2.gz	GOPYGJAUHOZQFQ-VABKMULXSA-N	-1	3	492.373	4.566	40	10		JJCBHM
COc1cc(COc2ccc(/C=C3/SC([N-]C(C)=O)=NC3=O)cc2)ccc1OCc1ccccc1	ZINC000107778554	569857386	/nfs/dbraw/zinc/85/73/86/569857386.db2.gz	WAMMRPPIZHPJCS-MFKUBSTISA-N	-1	3	488.565	4.960	40	10		JJCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc(Br)c1OCc1ccccc1Cl	ZINC000409025472	570104223	/nfs/dbraw/zinc/10/42/23/570104223.db2.gz	VMOWRZKIIPQNGT-MFOYZWKCSA-N	-1	3	495.782	4.797	40	10		JJCBHM
CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	ZINC000409140142	570144252	/nfs/dbraw/zinc/14/42/52/570144252.db2.gz	DYCDNGGAOMWOBG-WOJGMQOQSA-N	-1	3	462.980	4.602	40	10		JJCBHM
CCCCN1c2nc3ccccc3n2[C@H](c2c([O-])ccc3ccccc32)[C@H](C(=O)OCC)C1=O	ZINC000020675453	195200205	/nfs/dbraw/zinc/20/02/05/195200205.db2.gz	JAHDVNKASWTDBU-BJKOFHAPSA-N	-1	3	457.530	4.811	40	10		JJCBHM
CCCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(N(C)C)cc1	ZINC000006142030	520473990	/nfs/dbraw/zinc/47/39/90/520473990.db2.gz	RMIKWGWBLWYHJM-ZNZIZOMTSA-N	-1	3	471.557	4.593	40	10		JJCBHM
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000033457716	520634999	/nfs/dbraw/zinc/63/49/99/520634999.db2.gz	KOUSXAPYOCCVLL-YBEGLDIGSA-N	-1	3	450.379	4.955	40	10		JJCBHM
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000006144499	521375586	/nfs/dbraw/zinc/37/55/86/521375586.db2.gz	SUSDHPZZPZIMDQ-PLXFJCCSSA-N	-1	3	497.517	4.817	40	10		JJCBHM
CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2O)cc1	ZINC000009424049	555188609	/nfs/dbraw/zinc/18/86/09/555188609.db2.gz	ALABFLUHXVUNGN-SDHOMARFSA-N	-1	3	458.514	4.622	40	10		JJCBHM
COc1ccc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccc(OC)cc2)cc1	ZINC000020289179	555759890	/nfs/dbraw/zinc/75/98/90/555759890.db2.gz	PTZYTFYNWIMMCI-KQWNVCNZSA-N	-1	3	458.474	4.749	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)S1	ZINC000032111791	556420443	/nfs/dbraw/zinc/42/04/43/556420443.db2.gz	XOROQPDFHNVWDG-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O	ZINC000100901411	569774836	/nfs/dbraw/zinc/77/48/36/569774836.db2.gz	HSDWLWOJDSTNLY-FSSWDIPSSA-N	-1	3	479.330	4.514	40	10		JJCBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cc(Br)ccc1O	ZINC000102755875	569821269	/nfs/dbraw/zinc/82/12/69/569821269.db2.gz	KBNJRCDQXSCABO-HKBOAZHASA-N	-1	3	499.748	4.859	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)S1	ZINC000409077317	570120475	/nfs/dbraw/zinc/12/04/75/570120475.db2.gz	DPHKYQXKDVARBB-LZYBPNLTSA-N	-1	3	466.302	4.587	40	10		JJCBHM
Cc1[n-]n(-c2cc(Cl)ccc2Cl)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1	ZINC000408535528	570189974	/nfs/dbraw/zinc/18/99/74/570189974.db2.gz	YUBJEKDDFLQKGD-KAMYIIQDSA-N	-1	3	471.348	4.894	40	10		JJCBHM
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1[O-]	ZINC000013915510	521960878	/nfs/dbraw/zinc/96/08/78/521960878.db2.gz	OBBDMXVYKZIJIQ-PDGQHHTCSA-N	-1	3	496.304	4.840	40	10		JJCBHM
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3[O-])C2=O)c1	ZINC000008819177	554703793	/nfs/dbraw/zinc/70/37/93/554703793.db2.gz	TWPWXRIVMYMMTQ-WOJGMQOQSA-N	-1	3	462.980	4.674	40	10		JJCBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(Br)ccc2O)c1	ZINC000013786712	555619471	/nfs/dbraw/zinc/61/94/71/555619471.db2.gz	IRMJANOKFATPBX-FKBYEOEOSA-N	-1	3	479.330	4.514	40	10		JJCBHM
Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(N(C)C)cc1	ZINC000017886917	556270032	/nfs/dbraw/zinc/27/00/32/556270032.db2.gz	PWQXOIODGMEKMN-HJOGWXRNSA-N	-1	3	461.949	4.766	40	10		JJCBHM
CC(=O)[N-]C1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)S1	ZINC000032110016	556420484	/nfs/dbraw/zinc/42/04/84/556420484.db2.gz	FIHYQYABUDOKRM-RQZCQDPDSA-N	-1	3	465.756	4.788	40	10		JJCBHM
Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(N(C)C)cc1	ZINC000101024903	569779824	/nfs/dbraw/zinc/77/98/24/569779824.db2.gz	PWQXOIODGMEKMN-SGNDLWITSA-N	-1	3	461.949	4.766	40	10		JJCBHM
CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2O)cc1	ZINC000101060884	569780775	/nfs/dbraw/zinc/78/07/75/569780775.db2.gz	ALABFLUHXVUNGN-DSITVLBTSA-N	-1	3	458.514	4.622	40	10		JJCBHM
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	ZINC000223072498	569898598	/nfs/dbraw/zinc/89/85/98/569898598.db2.gz	PXEHUYOAYOUPCA-HZPDHXFCSA-N	-1	3	467.429	4.734	40	10		JJCBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c(Cl)c1	ZINC000409147066	570147586	/nfs/dbraw/zinc/14/75/86/570147586.db2.gz	WCOOWNSEVLPQIR-OQLLNIDSSA-N	-1	3	467.797	4.957	40	10		JJCBHM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1N=Cc1c(C)[n-]n(-c2cccc3ccccc32)c1=O	ZINC000408530128	570187593	/nfs/dbraw/zinc/18/75/93/570187593.db2.gz	ITHUZDCQHUWKRF-CYVLTUHYSA-N	-1	3	454.534	4.986	40	10		JJCBHM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1NC(=O)c1ccc(Cl)cc1Cl	ZINC000408562013	570201464	/nfs/dbraw/zinc/20/14/64/570201464.db2.gz	WXOBBWZQNVVXMB-UHFFFAOYSA-N	-1	3	495.340	4.784	40	10		JJCBHM
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1[O-]	ZINC000409326435	570202285	/nfs/dbraw/zinc/20/22/85/570202285.db2.gz	BSQNOYLJKIWDPZ-MHWRWJLKSA-N	-1	3	466.378	4.968	40	10		JJCBHM
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1[O-]	ZINC000409326563	570202311	/nfs/dbraw/zinc/20/23/11/570202311.db2.gz	CEOHDIRHRQOFRF-ZSOIEALJSA-N	-1	3	487.315	4.550	40	10		JJCBHM