smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C(S(=O)(=O)[O-])C(Cl)=CC1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1[O-]	ZINC000004261839	527261458	/nfs/dbraw/zinc/26/14/58/527261458.db2.gz	AYHLSSSEVIQUHA-VHEBQXMUSA-N	-3	3	458.857	3.813	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc([O-])c(Cl)c3)C2=O)cc1OCC	ZINC000409191904	570162269	/nfs/dbraw/zinc/16/22/69/570162269.db2.gz	QAGSEFQVJFJBBI-MHWRWJLKSA-N	-2	3	458.898	3.895	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(Br)c1[O-]	ZINC000409253233	570186394	/nfs/dbraw/zinc/18/63/94/570186394.db2.gz	ZENOGCVEGKLOMJ-MDWZMJQESA-N	-2	3	461.337	3.693	40	10		JHCBHL
COc1cc([N-]S(=O)(=O)c2ccc(N[C@@H](C)c3ccc4cccnc4c3[O-])cc2)nc(OC)n1	ZINC000006013563	554499414	/nfs/dbraw/zinc/49/94/14/554499414.db2.gz	CVDLHJRZFLCRCM-AWEZNQCLSA-N	-2	3	481.534	3.722	40	10		JHCBHL
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000006576912	554551970	/nfs/dbraw/zinc/55/19/70/554551970.db2.gz	JAFDXWVQNKUNSI-XPWALMASSA-N	-2	3	457.486	3.502	40	10		JHCBHL
O=C([O-])c1ccccc1/C=C1\SC(=S)N([N-]C(=O)c2ccccc2Br)C1=O	ZINC000008765918	554666744	/nfs/dbraw/zinc/66/67/44/554666744.db2.gz	JTNFVGIISMIVFN-ZROIWOOFSA-N	-2	3	463.334	3.694	40	10		JHCBHL
CCCC(O)=C(C(=O)OCC)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1[O-]	ZINC000008835914	554735425	/nfs/dbraw/zinc/73/54/25/554735425.db2.gz	HRZZCBQJRXWXAZ-NRFANRHFSA-N	-2	3	456.520	3.757	40	10		JHCBHL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(OCC)c3)C2=O)cc1	ZINC000059484152	569605093	/nfs/dbraw/zinc/60/50/93/569605093.db2.gz	PILODMPHOUIWNK-DHDCSXOGSA-N	-2	3	475.295	3.619	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1[O-]	ZINC000408742663	570032746	/nfs/dbraw/zinc/03/27/46/570032746.db2.gz	RXENODKIHOSWMK-RIYZIHGNSA-N	-2	3	461.337	3.693	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1[O-]	ZINC000408776004	570040151	/nfs/dbraw/zinc/04/01/51/570040151.db2.gz	MDSNMDBAZAIRAO-OVCLIPMQSA-N	-2	3	459.296	3.837	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1[O-]	ZINC000409141395	570144834	/nfs/dbraw/zinc/14/48/34/570144834.db2.gz	VCUMQEYWSDKINK-NTUHNPAUSA-N	-2	3	461.337	3.611	40	10		JHCBHL
Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc4c([O-])cc(S(=O)(=O)[O-])cc4c3)cc2)cc1	ZINC000001669826	194131156	/nfs/dbraw/zinc/13/11/56/194131156.db2.gz	BJGRUKRKEJXWKT-UHFFFAOYSA-N	-2	3	477.498	3.879	40	10		JHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1[O-]	ZINC000016688234	520629980	/nfs/dbraw/zinc/62/99/80/520629980.db2.gz	WRAAQTQIBPEHMR-QPEQYQDCSA-N	-2	3	476.239	3.968	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)cc1OC	ZINC000409126677	570138355	/nfs/dbraw/zinc/13/83/55/570138355.db2.gz	FJYSSZIHKSOMBQ-OVCLIPMQSA-N	-2	3	474.897	3.514	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc([O-])c(Br)c3)C2=O)cc1OC	ZINC000409147942	570147869	/nfs/dbraw/zinc/14/78/69/570147869.db2.gz	WYUYECPJBHDMGF-OQLLNIDSSA-N	-2	3	489.322	3.614	40	10		JHCBHL
CCc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c(Sc3nc[nH]n3)c2)cc1	ZINC000008870888	524015612	/nfs/dbraw/zinc/01/56/12/524015612.db2.gz	HXMHWILMMLLIQF-UHFFFAOYSA-N	-2	3	455.359	3.787	40	10		JHCBHL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1[O-]	ZINC000408984669	570091885	/nfs/dbraw/zinc/09/18/85/570091885.db2.gz	JLXURIPENGWUEM-DHDCSXOGSA-N	-2	3	459.296	3.782	40	10		JHCBHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1[O-]	ZINC000006142934	525290449	/nfs/dbraw/zinc/29/04/49/525290449.db2.gz	ZLORAUIXGLCEOO-UHFFFAOYSA-N	-2	3	466.107	3.935	40	10		JHCBHL
COc1cccc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)c1OCC(=O)[O-]	ZINC000409149755	570148754	/nfs/dbraw/zinc/14/87/54/570148754.db2.gz	PPCAQKDJTNCYJW-CXUHLZMHSA-N	-2	3	492.962	3.667	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1[O-]	ZINC000409246469	570184384	/nfs/dbraw/zinc/18/43/84/570184384.db2.gz	BRQBDTFQICUUBW-LFYBBSHMSA-N	-2	3	481.755	3.956	40	10		JHCBHL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([O-])c(I)c1	ZINC000059136067	195391168	/nfs/dbraw/zinc/39/11/68/195391168.db2.gz	WTJUJERFMGAHEO-JXMROGBWSA-N	-2	3	468.247	3.808	40	10		JHCBHL
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)C(=O)[N-]C3=O)o1	ZINC000100147527	569753873	/nfs/dbraw/zinc/75/38/73/569753873.db2.gz	WZJYOIGVPJSODG-YBEGLDIGSA-N	-2	3	475.844	3.988	40	10		JHCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Br)c3)C2=O)ccc1Br	ZINC000408761229	570036924	/nfs/dbraw/zinc/03/69/24/570036924.db2.gz	DCQCJRVOSSLOAS-KPKJPENVSA-N	-2	3	480.112	3.892	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c([O-])c(OCC)c3)C2=O)cc1OC	ZINC000409129231	570139412	/nfs/dbraw/zinc/13/94/12/570139412.db2.gz	KMVMLLXMNPJMOX-CXUHLZMHSA-N	-2	3	488.924	3.904	40	10		JHCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(I)c3)C(=O)[N-]C2=S)cc1Cl	ZINC000409238655	570180856	/nfs/dbraw/zinc/18/08/56/570180856.db2.gz	KSFQNAZGXRPQGX-WUXMJOGZSA-N	-2	3	498.729	3.790	40	10		JHCBHL
CCOc1cccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(OCC)c3)C(=O)[N-]C2=S)c1	ZINC000016693225	521382767	/nfs/dbraw/zinc/38/27/67/521382767.db2.gz	DYDHGUXFLJNKKR-NVNXTCNLSA-N	-2	3	491.363	3.783	40	10		JHCBHL
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000020189488	555690842	/nfs/dbraw/zinc/69/08/42/555690842.db2.gz	JAFDXWVQNKUNSI-VJBWXMMDSA-N	-2	3	457.486	3.502	40	10		JHCBHL
O=C([O-])C1=Cc2ccccc2C(=N[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[O-])C1=O	ZINC000017352434	556259103	/nfs/dbraw/zinc/25/91/03/556259103.db2.gz	ZCGHMFIVQIMDSP-HNENSFHCSA-N	-3	3	462.352	3.722	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408695038	570017570	/nfs/dbraw/zinc/01/75/70/570017570.db2.gz	OCCFSHIEYYTZNR-YRNVUSSQSA-N	-2	3	457.708	3.611	40	10		JHCBHL
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc([O-])c(I)c1	ZINC000059135178	195389704	/nfs/dbraw/zinc/38/97/04/195389704.db2.gz	ZNWFIGDOEVSDRQ-KPKJPENVSA-N	-2	3	452.179	3.643	40	10		JHCBHL
CCOc1cccc(N2C(=O)C(=Cc3cc(Br)c([O-])cc3O)C(=O)[N-]C2=S)c1	ZINC000038185500	569800404	/nfs/dbraw/zinc/80/04/04/569800404.db2.gz	WAOZSPRUEXTUJJ-MLPAPPSSSA-N	-2	3	463.309	3.931	40	10		JHCBHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1[O-]	ZINC000408986139	570092377	/nfs/dbraw/zinc/09/23/77/570092377.db2.gz	LSMCOZQKHZAXFA-XGICHPGQSA-N	-2	3	465.687	3.792	40	10		JHCBHL
O=C([N-]N1C(=O)/C(=C/c2ccc([O-])c(I)c2)SC1=S)c1cccs1	ZINC000409330026	570203665	/nfs/dbraw/zinc/20/36/65/570203665.db2.gz	JSFOESKAUJRGKK-GHXNOFRVSA-N	-2	3	488.353	3.605	40	10		JHCBHL
O=C([O-])C1=Cc2ccccc2C(=N[N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)[O-])C1=O	ZINC000004887192	554482905	/nfs/dbraw/zinc/48/29/05/554482905.db2.gz	ZCGHMFIVQIMDSP-VHEBQXMUSA-N	-3	3	462.352	3.722	40	10		JHCBHL
Cc1ccc(N2C(=O)/C(=C/c3ccc([O-])c(Br)c3)C(=O)[N-]C2=S)cc1Cl	ZINC000409229844	570177247	/nfs/dbraw/zinc/17/72/47/570177247.db2.gz	VNDOQGWPLZIOKZ-WUXMJOGZSA-N	-2	3	451.729	3.948	40	10		JHCBHL
O=C1C=C(S(=O)(=O)[O-])C(Cl)=CC1=NNc1ccc2c(cccc2S(=O)(=O)[O-])c1[O-]	ZINC000299888231	570177940	/nfs/dbraw/zinc/17/79/40/570177940.db2.gz	AYHLSSSEVIQUHA-UHFFFAOYSA-N	-3	3	458.857	3.813	40	10		JHCBHL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(I)c1[O-]	ZINC000059136136	195391177	/nfs/dbraw/zinc/39/11/77/195391177.db2.gz	PGLMYVMZIOKJAE-UXBLZVDNSA-N	-2	3	498.273	3.816	40	10		JHCBHL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000408847924	570054911	/nfs/dbraw/zinc/05/49/11/570054911.db2.gz	OGQJVXCLIMPELW-UXBLZVDNSA-N	-2	3	455.692	3.779	40	10		JHCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)c(Cl)c1	ZINC000409162326	570152363	/nfs/dbraw/zinc/15/23/63/570152363.db2.gz	UCDIEFXVPDJVMH-CXUHLZMHSA-N	-2	3	462.936	3.658	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c([O-])c(OC)c3)C2=O)cc1OCC	ZINC000409195473	570163367	/nfs/dbraw/zinc/16/33/67/570163367.db2.gz	VDCJYJRQXPVDRB-CXUHLZMHSA-N	-2	3	488.924	3.904	40	10		JHCBHL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(I)c([O-])cc1O	ZINC000059135805	195390602	/nfs/dbraw/zinc/39/06/02/195390602.db2.gz	AEHSXQIQRZIFQB-WEVVVXLNSA-N	-2	3	484.246	3.513	40	10		JHCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)ccc1Br	ZINC000208471277	569875578	/nfs/dbraw/zinc/87/55/78/569875578.db2.gz	CUOCTNBATQAHOK-MDWZMJQESA-N	-2	3	480.112	3.892	40	10		JHCBHL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2[O-])C1=O	ZINC000408894247	570066668	/nfs/dbraw/zinc/06/66/68/570066668.db2.gz	BVEANJNYCZXSCO-JYRVWZFOSA-N	-2	3	480.112	3.892	40	10		JHCBHL
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1[O-]	ZINC000408916957	570075620	/nfs/dbraw/zinc/07/56/20/570075620.db2.gz	JKXBFTHYBGFXRF-QPEQYQDCSA-N	-2	3	465.300	3.524	40	10		JHCBHL
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc([O-])c(I)c2)C(=O)[N-]C1=S	ZINC000409064521	570115833	/nfs/dbraw/zinc/11/58/33/570115833.db2.gz	DBOQFTSQJDQZCX-YRNVUSSQSA-N	-2	3	498.729	3.790	40	10		JHCBHL
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)c(Cl)c1	ZINC000409161249	570152128	/nfs/dbraw/zinc/15/21/28/570152128.db2.gz	LKSXFIMPVWJXKF-CXUHLZMHSA-N	-2	3	462.936	3.658	40	10		JHCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3[O-])C2=O)ccc1Br	ZINC000016282185	525050627	/nfs/dbraw/zinc/05/06/27/525050627.db2.gz	CUOCTNBATQAHOK-JYRVWZFOSA-N	-2	3	480.112	3.892	40	10		JHCBHL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Br)ccc3[O-])C2=O)cc1OC	ZINC000409132941	570141037	/nfs/dbraw/zinc/14/10/37/570141037.db2.gz	PJOZTCXESSQKCW-LFIBNONCSA-N	-2	3	489.322	3.614	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1[O-]	ZINC000409220862	570174288	/nfs/dbraw/zinc/17/42/88/570174288.db2.gz	GZJFUCOQNLZMTM-NTUHNPAUSA-N	-2	3	461.337	3.611	40	10		JHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OCC)C2=O)cc(Br)c1[O-]	ZINC000409229560	570177084	/nfs/dbraw/zinc/17/70/84/570177084.db2.gz	RAJQNZMAOXQPFW-UKTHLTGXSA-N	-2	3	475.295	3.619	40	10		JHCBHL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-]	ZINC000015010436	555854033	/nfs/dbraw/zinc/85/40/33/555854033.db2.gz	NAYZNAGXXKAJFP-SDQBBNPISA-N	-2	3	467.728	3.648	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Br)c1[O-]	ZINC000016162415	556127741	/nfs/dbraw/zinc/12/77/41/556127741.db2.gz	UNICJAOVCBHQLB-NTEUORMPSA-N	-2	3	459.296	3.782	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1[O-]	ZINC000408742007	570032422	/nfs/dbraw/zinc/03/24/22/570032422.db2.gz	UGCUKUXHTBBWMQ-WUXMJOGZSA-N	-2	3	496.111	3.592	40	10		JHCBHL
COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3ccc(C)cc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409146904	570147420	/nfs/dbraw/zinc/14/74/20/570147420.db2.gz	VMVWNBNWTRKKQC-OVCLIPMQSA-N	-2	3	479.923	3.817	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1[O-]	ZINC000409250823	570185736	/nfs/dbraw/zinc/18/57/36/570185736.db2.gz	OCHWFLDOYUBCNK-UXBLZVDNSA-N	-2	3	467.728	3.648	40	10		JHCBHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(I)c3)C2=O)cc1Cl	ZINC000408983896	570091547	/nfs/dbraw/zinc/09/15/47/570091547.db2.gz	OAUIZLHUDSFZMH-SDQBBNPISA-N	-2	3	482.661	3.625	40	10		JHCBHL
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc([O-])c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000409244881	570183711	/nfs/dbraw/zinc/18/37/11/570183711.db2.gz	JZYRNTFIRGNYBR-OQLLNIDSSA-N	-2	3	492.338	3.952	40	10		JHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1[O-]	ZINC000016688235	520628169	/nfs/dbraw/zinc/62/81/69/520628169.db2.gz	RGSZJEULJXLMPH-MLPAPPSSSA-N	-2	3	476.239	3.968	40	10		JHCBHL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1[O-]	ZINC000015013021	555854810	/nfs/dbraw/zinc/85/48/10/555854810.db2.gz	VALUGEYWWHEKIF-QPEQYQDCSA-N	-2	3	465.687	3.873	40	10		JHCBHL
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Br)c3[O-])C(=O)[N-]C2=S)cc1	ZINC000016216906	524383257	/nfs/dbraw/zinc/38/32/57/524383257.db2.gz	XPDBFCHAKZAUBU-NTUHNPAUSA-N	-2	3	467.728	3.648	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1[O-]	ZINC000408742351	570032552	/nfs/dbraw/zinc/03/25/52/570032552.db2.gz	QSIFZCYFSACMAV-WUXMJOGZSA-N	-2	3	481.755	3.956	40	10		JHCBHL
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Br)c2)C1=O	ZINC000408901532	570068838	/nfs/dbraw/zinc/06/88/38/570068838.db2.gz	YOSMHCPBDCFGNM-GHXNOFRVSA-N	-2	3	480.112	3.892	40	10		JHCBHL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c([O-])cc1O	ZINC000408722729	570027403	/nfs/dbraw/zinc/02/74/03/570027403.db2.gz	MSZQDVPOKSRGAV-YCRREMRBSA-N	-2	3	488.146	3.998	40	10		JHCBHL
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000408531844	570188293	/nfs/dbraw/zinc/18/82/93/570188293.db2.gz	OUMRROYUASYZIO-SXGWCWSVSA-N	-2	3	453.296	3.668	40	10		JHCBHL
COc1cc([N-]S(=O)(=O)c2ccc(N[C@H](C)c3ccc4cccnc4c3[O-])cc2)nc(OC)n1	ZINC000005614334	522757275	/nfs/dbraw/zinc/75/72/75/522757275.db2.gz	CVDLHJRZFLCRCM-CQSZACIVSA-N	-2	3	481.534	3.722	40	10		JHCBHL
O=C([O-])c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3Br)C2=O)cc1	ZINC000008828416	554718791	/nfs/dbraw/zinc/71/87/91/554718791.db2.gz	WYPRIGQXCYXSTG-ZROIWOOFSA-N	-2	3	463.334	3.694	40	10		JHCBHL
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c(OC)c3)C2=O)cc1	ZINC000408893584	570066408	/nfs/dbraw/zinc/06/64/08/570066408.db2.gz	BFLZXLOUVOVEHU-DHDCSXOGSA-N	-2	3	475.295	3.619	40	10		JHCBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(I)c1[O-]	ZINC000034222861	569639865	/nfs/dbraw/zinc/63/98/65/569639865.db2.gz	LJSHBLLBEUVZAB-QPEQYQDCSA-N	-2	3	478.242	3.821	40	10		JHCBHL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1[O-]	ZINC000059104074	195387707	/nfs/dbraw/zinc/38/77/07/195387707.db2.gz	GUVHITIWPOABJJ-LFYBBSHMSA-N	-2	3	475.251	3.789	40	10		JHCBHL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1[O-]	ZINC000016194990	521959170	/nfs/dbraw/zinc/95/91/70/521959170.db2.gz	VPYLJUXAJOKZAV-XGICHPGQSA-N	-2	3	462.212	3.578	40	10		JHCBHL
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1[O-]	ZINC000408894215	570066578	/nfs/dbraw/zinc/06/65/78/570066578.db2.gz	BREYYRBPAQZHLR-SDQBBNPISA-N	-2	3	465.687	3.792	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1[O-]	ZINC000409102224	570128767	/nfs/dbraw/zinc/12/87/67/570128767.db2.gz	VJMCRHJTKJJNNM-IZZDOVSWSA-N	-2	3	481.755	3.956	40	10		JHCBHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1[O-]	ZINC000004641592	519750827	/nfs/dbraw/zinc/75/08/27/519750827.db2.gz	PWRLVEWXQPTLBZ-SFHVURJKSA-N	-3	3	496.463	3.908	40	10		JHCBHL
CCCC(O)=C(C(=O)OCC)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1[O-]	ZINC000008835913	554735458	/nfs/dbraw/zinc/73/54/58/554735458.db2.gz	HRZZCBQJRXWXAZ-OAQYLSRUSA-N	-2	3	456.520	3.757	40	10		JHCBHL
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000095544263	569726680	/nfs/dbraw/zinc/72/66/80/569726680.db2.gz	JAFDXWVQNKUNSI-VABKMULXSA-N	-2	3	457.486	3.502	40	10		JHCBHL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])cc3O)C2=O)ccc1Br	ZINC000408760439	570036649	/nfs/dbraw/zinc/03/66/49/570036649.db2.gz	YQXXPQQLHKDYBX-VZUCSPMQSA-N	-2	3	496.111	3.598	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1[O-]	ZINC000409134892	570141937	/nfs/dbraw/zinc/14/19/37/570141937.db2.gz	OQRSHHDBMCTIOK-NTUHNPAUSA-N	-2	3	461.337	3.611	40	10		JHCBHL
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])C(=O)[N-]C1=S	ZINC000408743680	570032943	/nfs/dbraw/zinc/03/29/43/570032943.db2.gz	XAEJFPCUZPLSMA-JYRVWZFOSA-N	-2	3	451.729	3.948	40	10		JHCBHL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1[O-]	ZINC000408890460	570065605	/nfs/dbraw/zinc/06/56/05/570065605.db2.gz	UDBONOMLXSTNSH-LFYBBSHMSA-N	-2	3	465.687	3.792	40	10		JHCBHL
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102711412	569816967	/nfs/dbraw/zinc/81/69/67/569816967.db2.gz	JAFDXWVQNKUNSI-RJGXRXQPSA-N	-2	3	457.486	3.502	40	10		JHCBHL
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1[O-]	ZINC000408888897	570065202	/nfs/dbraw/zinc/06/52/02/570065202.db2.gz	CNJNQXULPDLIPE-AWNIVKPZSA-N	-2	3	465.687	3.873	40	10		JHCBHL
CS(=O)(=O)[N-]c1c(Oc2ccccc2)c(N2CCCC2)c([O-])c2c1C(=O)c1ccccc1C2=O	ZINC000015080972	555872646	/nfs/dbraw/zinc/87/26/46/555872646.db2.gz	VUFOFBNEZWFMOF-UHFFFAOYSA-N	-2	3	478.526	3.932	40	10		JHCBHL
CC(C)OC(=O)C(=C([O-])C(F)(F)F)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1[O-]	ZINC000003656725	194353583	/nfs/dbraw/zinc/35/35/83/194353583.db2.gz	PWRLVEWXQPTLBZ-GOSISDBHSA-N	-3	3	496.463	3.908	40	10		JHCBHL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(I)c2)C1=O	ZINC000409243387	570182943	/nfs/dbraw/zinc/18/29/43/570182943.db2.gz	WAIHJNCOAYFXKJ-YRNVUSSQSA-N	-2	3	482.661	3.625	40	10		JHCBHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	ZINC000100925614	569776054	/nfs/dbraw/zinc/77/60/54/569776054.db2.gz	WDEGXFNJKVPBBC-JCMHNJIXSA-N	-2	3	490.541	3.683	40	10		JHCBHL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc(Br)c1[O-]	ZINC000059135705	195390797	/nfs/dbraw/zinc/39/07/97/195390797.db2.gz	CQKPYCFIVJMFBR-UXBLZVDNSA-N	-2	3	451.273	3.974	40	10		JHCBHL
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc([O-])c(Br)c1	ZINC000013371385	555392419	/nfs/dbraw/zinc/39/24/19/555392419.db2.gz	AELDCQLGZHEKEM-WUXMJOGZSA-N	-2	3	482.153	3.749	40	10		JHCBHL