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)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)n1	ZINC000004623842	557573823	/nfs/dbraw/zinc/57/38/23/557573823.db2.gz	XZDMQSHRDJVPFI-FQEVSTJZSA-N	-1	3	415.405	4.081	40	30		HIEBHM
CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(I)c1[O-]	ZINC000408650773	557624010	/nfs/dbraw/zinc/62/40/10/557624010.db2.gz	BQNZLMJETZMTGG-RUDMXATFSA-N	-1	3	424.234	4.300	40	30		HIEBHM
CC(=O)C1=C([O-])C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1	ZINC000004103203	560601055	/nfs/dbraw/zinc/60/10/55/560601055.db2.gz	REDWOKIPBOARTP-MRXNPFEDSA-N	-1	3	419.275	4.224	40	30		HIEBHM
CC([O-])=C1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1	ZINC000004103203	560601057	/nfs/dbraw/zinc/60/10/57/560601057.db2.gz	REDWOKIPBOARTP-MRXNPFEDSA-N	-1	3	419.275	4.224	40	30		HIEBHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1cccnc1	ZINC000019138672	560871938	/nfs/dbraw/zinc/87/19/38/560871938.db2.gz	UPNNUWSYHBSJAU-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1cccnc1	ZINC000019138672	560871939	/nfs/dbraw/zinc/87/19/39/560871939.db2.gz	UPNNUWSYHBSJAU-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1cc(/C=N/[O-])cc(I)c1OCc1cccc(Cl)c1	ZINC000253560322	568754905	/nfs/dbraw/zinc/75/49/05/568754905.db2.gz	ARHJWUAFOWKBSO-QGMBQPNBSA-N	-1	3	417.630	4.340	40	30		HIEBHM
Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-]	ZINC000017089947	569274630	/nfs/dbraw/zinc/27/46/30/569274630.db2.gz	UHLPWXGMROIAPN-JTQLQIEISA-N	-1	3	414.512	4.088	40	30		HIEBHM
N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(Br)ccc2[O-])C1=O	ZINC000409171443	569386736	/nfs/dbraw/zinc/38/67/36/569386736.db2.gz	BKPIMLDXDVOJEL-LZYBPNLTSA-N	-1	3	415.268	4.263	40	30		HIEBHM
CCCCC(=N\[O-])/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(CC)cc1	ZINC000055129079	519904317	/nfs/dbraw/zinc/90/43/17/519904317.db2.gz	IYUSRONRHLPGCQ-VHWNHXCPSA-N	-1	3	401.532	4.260	40	30		HIEBHM
COc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3[O-])S2)cc1	ZINC000408766320	560629966	/nfs/dbraw/zinc/62/99/66/560629966.db2.gz	UHCOFGPKHUBUCT-DHDCSXOGSA-N	-1	3	405.273	4.055	40	30		HIEBHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)cc1	ZINC000019138227	560871975	/nfs/dbraw/zinc/87/19/75/560871975.db2.gz	KXWGLRUVDJSVOI-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1	ZINC000019138227	560871976	/nfs/dbraw/zinc/87/19/76/560871976.db2.gz	KXWGLRUVDJSVOI-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)cc(Cl)c1[O-]	ZINC000059533885	568709055	/nfs/dbraw/zinc/70/90/55/568709055.db2.gz	OTWAKDXFCBZTAD-MFOYZWKCSA-N	-1	3	402.903	4.431	40	30		HIEBHM
CCCCCCCCC(=O)N1[C@@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	ZINC000100420685	568935563	/nfs/dbraw/zinc/93/55/63/568935563.db2.gz	TUXFHUVRAANBOC-OAQYLSRUSA-N	-1	3	416.562	4.041	40	30		HIEBHM
CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1	ZINC000006275785	557697418	/nfs/dbraw/zinc/69/74/18/557697418.db2.gz	UKBOAVVWFBJKCP-DJKKODMXSA-N	-1	3	406.305	4.047	40	30		HIEBHM
CN(C)c1nc(N=NCc2c([O-])ccc3ccccc32)nc(Nc2ccc(F)cc2)n1	ZINC000408721119	557769022	/nfs/dbraw/zinc/76/90/22/557769022.db2.gz	KWVCSGXWIYCLEO-ZMOGYAJESA-N	-1	3	417.448	4.125	40	30		HIEBHM
[O-]c1ccc(Br)cc1/C=N\NC(=S)Nc1cccc2cccnc21	ZINC000017419820	558827453	/nfs/dbraw/zinc/82/74/53/558827453.db2.gz	FPWHWNMLOLWGAI-JMIUGGIZSA-N	-1	3	401.289	4.023	40	30		HIEBHM
CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3[O-])S2)cc1	ZINC000408955055	560657425	/nfs/dbraw/zinc/65/74/25/560657425.db2.gz	VPVBDYIFXSVRKF-MHWRWJLKSA-N	-1	3	419.300	4.445	40	30		HIEBHM
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1[O-]	ZINC000409411914	560721723	/nfs/dbraw/zinc/72/17/23/560721723.db2.gz	NLYIXYHVDSBKRL-UHFFFAOYSA-N	-1	3	400.891	4.221	40	30		HIEBHM
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Br)c([O-])cc3O)S2)c1	ZINC000059459431	568704385	/nfs/dbraw/zinc/70/43/85/568704385.db2.gz	WOKDKOHHNYTXQN-APSNUPSMSA-N	-1	3	419.300	4.369	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(/C=N/[O-])c4ccccc4C3c3ccccc32)c(C)c1	ZINC000408729801	557785537	/nfs/dbraw/zinc/78/55/37/557785537.db2.gz	DEGSORCMBXZBAL-UALCZKQPSA-N	-1	3	422.484	4.314	40	30		HIEBHM
CCCCCCC(=N\[O-])/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	ZINC000019205467	558847552	/nfs/dbraw/zinc/84/75/52/558847552.db2.gz	DMQLEWCIVWTEMD-VHWNHXCPSA-N	-1	3	401.532	4.478	40	30		HIEBHM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)S1	ZINC000408867511	560648614	/nfs/dbraw/zinc/64/86/14/560648614.db2.gz	LHJRSTUUSUJFRW-SXGWCWSVSA-N	-1	3	404.875	4.263	40	30		HIEBHM
CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409296981	560707696	/nfs/dbraw/zinc/70/76/96/560707696.db2.gz	JQSBFWFOWPNYED-UHFFFAOYSA-N	-1	3	400.276	4.044	40	30		HIEBHM
O=C1CSC(=N/N=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)[N-]1	ZINC000408976833	560660646	/nfs/dbraw/zinc/66/06/46/560660646.db2.gz	UGCPBPOCVFXXJL-GZIVZEMBSA-N	-1	3	400.866	4.035	40	30		HIEBHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@@H]2c2ccc(Cl)cc2Cl)cc1OC	ZINC000006198688	560740152	/nfs/dbraw/zinc/74/01/52/560740152.db2.gz	UIZXYNLSPRLXHB-QGZVFWFLSA-N	-1	3	422.264	4.219	40	30		HIEBHM
N#Cc1c([N-]C(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCC2	ZINC000000827374	568497962	/nfs/dbraw/zinc/49/79/62/568497962.db2.gz	MSKLTVOZVILGEM-UHFFFAOYSA-N	-1	3	420.357	4.388	40	30		HIEBHM
C/C(=N/N=C1\SC(CC(=O)[O-])C(=O)N1c1ccc(C)cc1)c1ccc(Cl)cc1	ZINC000059475404	568707211	/nfs/dbraw/zinc/70/72/11/568707211.db2.gz	CEOIJKDKRQHHJD-SFNCEYTJSA-N	-1	3	415.902	4.352	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1ccccc1F	ZINC000216826129	520647124	/nfs/dbraw/zinc/64/71/24/520647124.db2.gz	NXUNRJQKIYNJPL-OCKHKDLRSA-N	-1	3	415.202	4.216	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(/C=N/[O-])c3ccccc32)c(C)c1	ZINC000408729802	557785619	/nfs/dbraw/zinc/78/56/19/557785619.db2.gz	DEGSORCMBXZBAL-XEFLPOSASA-N	-1	3	422.484	4.314	40	30		HIEBHM
Cc1ccc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccc(C)c(Cl)c3)n2)cc1	ZINC000013634060	558552998	/nfs/dbraw/zinc/55/29/98/558552998.db2.gz	IQHZHIGWDZRBRG-UHFFFAOYSA-N	-1	3	413.934	4.391	40	30		HIEBHM
COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1[O-]	ZINC000409406794	560722346	/nfs/dbraw/zinc/72/23/46/560722346.db2.gz	YYHYVJJZXWCLEQ-UHFFFAOYSA-N	-1	3	405.841	4.313	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1ccc(C)cc1	ZINC000100250371	568935816	/nfs/dbraw/zinc/93/58/16/568935816.db2.gz	ZNIJEXKRKZWWPW-GRSHGNNSSA-N	-1	3	411.239	4.385	40	30		HIEBHM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c([O-])ccc2ccccc21	ZINC000409277244	560704722	/nfs/dbraw/zinc/70/47/22/560704722.db2.gz	BFUAAQOHNFTSPA-UHFFFAOYSA-N	-1	3	422.282	4.462	40	30		HIEBHM
[O-]C(C=C(CNNc1ccccc1)NNc1ccccc1)(C(F)(F)F)C(F)(F)F	ZINC000005062857	557632993	/nfs/dbraw/zinc/63/29/93/557632993.db2.gz	AXJDZDKCBPSPAP-MBTHVWNTSA-N	-1	3	420.357	4.317	40	30		HIEBHM
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c([O-])ccc2ccccc21	ZINC000409284228	560706654	/nfs/dbraw/zinc/70/66/54/560706654.db2.gz	UQEOYIHJVBOORR-UHFFFAOYSA-N	-1	3	408.255	4.208	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(/C=N/[O-])c4ccccc4C3c3ccccc32)c(C)c1	ZINC000408729799	557785437	/nfs/dbraw/zinc/78/54/37/557785437.db2.gz	DEGSORCMBXZBAL-HOMVWHAGSA-N	-1	3	422.484	4.314	40	30		HIEBHM
CC(Nc1ccccc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@@H]1c1cccc(O)c1	ZINC000100252137	559133420	/nfs/dbraw/zinc/13/34/20/559133420.db2.gz	BANKBFZWKKKCEL-ONQWYEKWSA-N	-1	3	400.434	4.141	40	30		HIEBHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C/c2c3ccccc3cc3ccccc32)c1	ZINC000004926899	560618725	/nfs/dbraw/zinc/61/87/25/560618725.db2.gz	WCBRXRNOHLQRPE-HYARGMPZSA-N	-1	3	405.435	4.214	40	30		HIEBHM
COCCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O	ZINC000409033351	560668479	/nfs/dbraw/zinc/66/84/79/560668479.db2.gz	FCWLJVLJCNJTQD-UHFFFAOYSA-N	-1	3	415.917	4.496	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1cccc(C)c1C	ZINC000409264624	560703849	/nfs/dbraw/zinc/70/38/49/560703849.db2.gz	QKJLXLMXXQILJA-FBHDLOMBSA-N	-1	3	421.291	4.290	40	30		HIEBHM
COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1[O-]	ZINC000409406739	560722285	/nfs/dbraw/zinc/72/22/85/560722285.db2.gz	YMAJSVSZCBFTOF-UHFFFAOYSA-N	-1	3	405.841	4.313	40	30		HIEBHM
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Br)c1[O-]	ZINC000020175520	560881802	/nfs/dbraw/zinc/88/18/02/560881802.db2.gz	IJTURGYXTPTOKE-GDNBJRDFSA-N	-1	3	419.300	4.445	40	30		HIEBHM
COc1cccc(/C=N/c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)c1O	ZINC000102909244	569042089	/nfs/dbraw/zinc/04/20/89/569042089.db2.gz	LHIWTPSIRAVAEV-YDZHTSKRSA-N	-1	3	414.458	4.400	40	30		HIEBHM
COc1ccc(/C=C/C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cc1	ZINC000017088983	569274484	/nfs/dbraw/zinc/27/44/84/569274484.db2.gz	AAINSZVKCJKEOU-BCRSCGJKSA-N	-1	3	411.552	4.280	40	30		HIEBHM
N#Cc1ccccc1COc1c(Br)cc(/C=N/[O-])cc1Br	ZINC000033653910	569362334	/nfs/dbraw/zinc/36/23/34/569362334.db2.gz	LQYVUXJSLGPTNV-UFWORHAWSA-N	-1	3	410.065	4.470	40	30		HIEBHM
CCCCn1cc(CN2CCC[C@@H]2c2cccc([N-]c3ncc(C#N)s3)n2)c(C)n1	ZINC000585294584	571307333	/nfs/dbraw/zinc/30/73/33/571307333.db2.gz	SDTUNDQYPAEWQH-HXUWFJFHSA-N	-1	3	421.574	4.796	40	30		HIEBHM
[O-]c1ccc(Br)cc1/C=N/NC(=S)Nc1cccc2cccnc21	ZINC000001868730	557293340	/nfs/dbraw/zinc/29/33/40/557293340.db2.gz	FPWHWNMLOLWGAI-KEBDBYFISA-N	-1	3	401.289	4.023	40	30		HIEBHM
CCOc1cc(C=NNc2nc3ccccc3n2CC)cc(Br)c1[O-]	ZINC000408692543	557709140	/nfs/dbraw/zinc/70/91/40/557709140.db2.gz	OXOKNBKKPVCKFO-RGVLZGJSSA-N	-1	3	403.280	4.369	40	30		HIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(I)c1	ZINC000408740445	557806371	/nfs/dbraw/zinc/80/63/71/557806371.db2.gz	KSMGACJKQOXEQC-ZVCOJXFSSA-N	-1	3	403.223	4.032	40	30		HIEBHM
CC(Nc1ccc(C)cc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@@H]1c1cccc(O)c1	ZINC000100249818	559133412	/nfs/dbraw/zinc/13/34/12/559133412.db2.gz	NFZWXLVNIZVLPV-PLJYQOKSSA-N	-1	3	414.461	4.449	40	30		HIEBHM
CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409303879	560708123	/nfs/dbraw/zinc/70/81/23/560708123.db2.gz	OTIZLVIMJYPBDE-LBPRGKRZSA-N	-1	3	400.276	4.260	40	30		HIEBHM
Cc1ccc(SCc2cc(=O)[n-]c(NC(=N)Nc3cccc(Cl)c3C)n2)cc1	ZINC000020503592	568432495	/nfs/dbraw/zinc/43/24/95/568432495.db2.gz	OAKNJUIPAUTDMS-UHFFFAOYSA-N	-1	3	413.934	4.391	40	30		HIEBHM
COc1cccc(/C=N/c2c(-c3ccc([O-])c(OC)c3)nc3ccccn32)c1OC	ZINC000006621702	569362063	/nfs/dbraw/zinc/36/20/63/569362063.db2.gz	BKPIDRBGBSZOGA-ZVHZXABRSA-N	-1	3	403.438	4.483	40	30		HIEBHM
N#Cc1cnc([N-]c2cccc([C@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)s1	ZINC000585294368	571305435	/nfs/dbraw/zinc/30/54/35/571305435.db2.gz	QGTZDEURNXOYJJ-HXUWFJFHSA-N	-1	3	400.511	4.972	40	30		HIEBHM
N#CC=C([O-])c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1	ZINC000098210931	559127191	/nfs/dbraw/zinc/12/71/91/559127191.db2.gz	JOPXFLWRYSEIRA-JTQLQIEISA-N	-1	3	406.076	4.349	40	30		HIEBHM
CC(Nc1ccccc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@H]1c1cccc(O)c1	ZINC000100252136	559133410	/nfs/dbraw/zinc/13/34/10/559133410.db2.gz	BANKBFZWKKKCEL-VAZXNAHHSA-N	-1	3	400.434	4.141	40	30		HIEBHM
COc1cc(/C=N\[O-])cc(I)c1OCc1cccc(Cl)c1	ZINC000226364340	559273721	/nfs/dbraw/zinc/27/37/21/559273721.db2.gz	ARHJWUAFOWKBSO-LSCVHKIXSA-N	-1	3	417.630	4.340	40	30		HIEBHM
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1[O-]	ZINC000409411192	560721519	/nfs/dbraw/zinc/72/15/19/560721519.db2.gz	FNSWZIFFKASFLU-UHFFFAOYSA-N	-1	3	418.881	4.360	40	30		HIEBHM
CCN(CC)S(=O)(=O)c1cc(/N=C/c2ccccc2[O-])ccc1N1CCCCC1	ZINC000100191393	560723870	/nfs/dbraw/zinc/72/38/70/560723870.db2.gz	OCAKITRCBUWRTF-HAVVHWLPSA-N	-1	3	415.559	4.164	40	30		HIEBHM
Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1cccc([N-]c2ncc(C#N)s2)n1	ZINC000585293313	571310236	/nfs/dbraw/zinc/31/02/36/571310236.db2.gz	FBHNGIAOWZWEAI-FQEVSTJZSA-N	-1	3	421.574	4.885	40	30		HIEBHM
[O-]c1ccc2ccccc2c1/C=N/N1CCN(/N=C/c2c(O)ccc3ccccc32)CC1	ZINC000001700718	557281686	/nfs/dbraw/zinc/28/16/86/557281686.db2.gz	PMCNJQXQVINAAP-XUIWWLCJSA-N	-1	3	424.504	4.390	40	30		HIEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000408555135	557446229	/nfs/dbraw/zinc/44/62/29/557446229.db2.gz	VUNCZZNXHQIXDA-SCDVKCJHSA-N	-1	3	403.649	4.481	40	30		HIEBHM
[O-]C(C=C(CNNc1ccccc1)NNc1ccccc1)(C(F)(F)F)C(F)(F)F	ZINC000017000314	558811555	/nfs/dbraw/zinc/81/15/55/558811555.db2.gz	AXJDZDKCBPSPAP-RWPZCVJISA-N	-1	3	420.357	4.317	40	30		HIEBHM
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)c(Br)cc1[O-]	ZINC000409097400	560675981	/nfs/dbraw/zinc/67/59/81/560675981.db2.gz	MFONIOKZPPCTMA-QPSGOUHRSA-N	-1	3	404.186	4.413	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1ccc(F)cc1	ZINC000100250372	568935837	/nfs/dbraw/zinc/93/58/37/568935837.db2.gz	JYQZMFFFOIUWAT-OCKHKDLRSA-N	-1	3	415.202	4.216	40	30		HIEBHM
CCOC(=O)c1ccc(/N=C/c2cc(I)cc(C)c2[O-])cc1	ZINC000006439366	557702403	/nfs/dbraw/zinc/70/24/03/557702403.db2.gz	KBZCRUVNOVYNHC-VXLYETTFSA-N	-1	3	409.223	4.233	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(/C=N/[O-])c4ccccc4C3c3ccccc32)c(C)c1	ZINC000408729800	557785613	/nfs/dbraw/zinc/78/56/13/557785613.db2.gz	DEGSORCMBXZBAL-ICWVZLQBSA-N	-1	3	422.484	4.314	40	30		HIEBHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1cccnc1	ZINC000019138678	560871944	/nfs/dbraw/zinc/87/19/44/560871944.db2.gz	UPNNUWSYHBSJAU-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1cccnc1	ZINC000019138678	560871945	/nfs/dbraw/zinc/87/19/45/560871945.db2.gz	UPNNUWSYHBSJAU-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1cc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc(Br)c1[O-]	ZINC000003264637	560886901	/nfs/dbraw/zinc/88/69/01/560886901.db2.gz	KWYSDLWZCOGALW-DJKKODMXSA-N	-1	3	408.321	4.101	40	30		HIEBHM
N#Cc1cnc([N-]c2cccc([C@@H]3CCCN3Cc3cc4ccccc4[nH]3)n2)s1	ZINC000585294367	571305425	/nfs/dbraw/zinc/30/54/25/571305425.db2.gz	QGTZDEURNXOYJJ-FQEVSTJZSA-N	-1	3	400.511	4.972	40	30		HIEBHM
COc1ccc2nc(NC(=O)C([O-])=C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000001617380	557276310	/nfs/dbraw/zinc/27/63/10/557276310.db2.gz	ZHAWBQJIDJILLG-NSHDSACASA-N	-1	3	420.277	4.427	40	30		HIEBHM
COc1cc(-c2nc3ccccn3c2/N=C/c2cc(OC)c([O-])c(OC)c2)ccc1O	ZINC000005634297	557665945	/nfs/dbraw/zinc/66/59/45/557665945.db2.gz	OPUBZXOYEGOEKK-ZMOGYAJESA-N	-1	3	419.437	4.189	40	30		HIEBHM
CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(Br)cc1[O-]	ZINC000408931248	560655686	/nfs/dbraw/zinc/65/56/86/560655686.db2.gz	IXYAVHSXWIFRCG-FYJGNVAPSA-N	-1	3	405.292	4.141	40	30		HIEBHM
COc1cc(C=NNc2ccc(Br)cc2)c(Br)cc1[O-]	ZINC000006490521	568936727	/nfs/dbraw/zinc/93/67/27/568936727.db2.gz	WGYLEOXKFFQRPG-CAOOACKPSA-N	-1	3	400.070	4.372	40	30		HIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cccc(I)c1	ZINC000408740444	557806367	/nfs/dbraw/zinc/80/63/67/557806367.db2.gz	KSMGACJKQOXEQC-YDDPGSGASA-N	-1	3	403.223	4.032	40	30		HIEBHM
COC(=O)c1ccc(/C=N/c2c(-c3ccc([O-])c(OC)c3)nc3ccccn32)cc1	ZINC000000675953	559277350	/nfs/dbraw/zinc/27/73/50/559277350.db2.gz	FNWFESUDVJRUTP-ZVHZXABRSA-N	-1	3	401.422	4.253	40	30		HIEBHM
Cc1cc(I)cc(C=NN=c2[nH]c3ccccc3s2)c1[O-]	ZINC000408975477	560660189	/nfs/dbraw/zinc/66/01/89/560660189.db2.gz	KYFJMRGVXABCLL-CAOOACKPSA-N	-1	3	409.252	4.361	40	30		HIEBHM
Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-]	ZINC000017089946	569273995	/nfs/dbraw/zinc/27/39/95/569273995.db2.gz	UHLPWXGMROIAPN-SNVBAGLBSA-N	-1	3	414.512	4.088	40	30		HIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(I)cc1	ZINC000408739508	557805457	/nfs/dbraw/zinc/80/54/57/557805457.db2.gz	CHZIOJZATBCVNS-ZVCOJXFSSA-N	-1	3	403.223	4.032	40	30		HIEBHM
CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409303877	560708143	/nfs/dbraw/zinc/70/81/43/560708143.db2.gz	OTIZLVIMJYPBDE-GFCCVEGCSA-N	-1	3	400.276	4.260	40	30		HIEBHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(C)[C@H]2c2ccc(Cl)cc2Cl)cc1OC	ZINC000006198714	560740103	/nfs/dbraw/zinc/74/01/03/560740103.db2.gz	UIZXYNLSPRLXHB-KRWDZBQOSA-N	-1	3	422.264	4.219	40	30		HIEBHM
COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c([O-])c(OC)c3)C(=O)N2C)cc1	ZINC000005675094	557668125	/nfs/dbraw/zinc/66/81/25/557668125.db2.gz	GQHBNJBNOAUPNQ-PMDYYOJLSA-N	-1	3	404.875	4.297	40	30		HIEBHM
CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/N=C/c2ccc([O-])cc2)s1	ZINC000005726502	557671175	/nfs/dbraw/zinc/67/11/75/557671175.db2.gz	NOLPASPEVKBUOK-PGJJUSORSA-N	-1	3	407.282	4.084	40	30		HIEBHM
CN1C2=C(C(=O)CCC2)C(c2ccc([O-])c(Br)c2)C2=C1CCCC2=O	ZINC000006625647	557711023	/nfs/dbraw/zinc/71/10/23/557711023.db2.gz	XUAIIIZOKXJETC-UHFFFAOYSA-N	-1	3	402.288	4.198	40	30		HIEBHM
O=c1[n-]nc(-c2ccccc2)nc1C(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000017119701	558823109	/nfs/dbraw/zinc/82/31/09/558823109.db2.gz	YKGNBZKPVOGATI-PLRJNAJWSA-N	-1	3	412.409	4.017	40	30		HIEBHM
COCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)ccc2[O-])C2=C1CCCC2=O	ZINC000409032939	560668449	/nfs/dbraw/zinc/66/84/49/560668449.db2.gz	KJVLKWZHWJIGCR-UHFFFAOYSA-N	-1	3	401.890	4.105	40	30		HIEBHM
[O-]c1ccc2ccccc2c1C=Nn1cnnc1N=NCc1c(O)ccc2ccccc21	ZINC000016525801	526354510	/nfs/dbraw/zinc/35/45/10/526354510.db2.gz	DWIGIFVIWAODRO-QTPWGULQSA-N	-1	3	422.448	4.324	40	30		HIEBHM
[O-]c1ccc2ccccc2c1/C=N\NC(=S)N/N=C\c1c(O)ccc2ccccc21	ZINC000004721014	557586513	/nfs/dbraw/zinc/58/65/13/557586513.db2.gz	VEMDZVIIABTOEZ-YQTKFLBZSA-N	-1	3	414.490	4.236	40	30		HIEBHM
Cn1c2ccccc2[nH]c1=NN=Cc1cc(Br)c([O-])c(Br)c1	ZINC000408656381	557639617	/nfs/dbraw/zinc/63/96/17/557639617.db2.gz	MAHVUYBBAHXTDK-QGMBQPNBSA-N	-1	3	424.096	4.250	40	30		HIEBHM
COCCN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(OC)cc1	ZINC000408943798	560656661	/nfs/dbraw/zinc/65/66/61/560656661.db2.gz	YZDQEHCKBZTWQQ-JLZFKDTQSA-N	-1	3	418.902	4.305	40	30		HIEBHM
C=CCc1cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc(OC)c1OCc1ccccc1	ZINC000409093146	560674463	/nfs/dbraw/zinc/67/44/63/560674463.db2.gz	YGNJZDXDXPTMCP-DEDYPNTBSA-N	-1	3	422.506	4.109	40	30		HIEBHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1	ZINC000019138712	560871952	/nfs/dbraw/zinc/87/19/52/560871952.db2.gz	HSMVEYMWWRDRSB-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccn2)cc1	ZINC000019138712	560871953	/nfs/dbraw/zinc/87/19/53/560871953.db2.gz	HSMVEYMWWRDRSB-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(C#N)cc2)c(C)c1	ZINC000009346330	569392462	/nfs/dbraw/zinc/39/24/62/569392462.db2.gz	HPYXJYJECHFNPV-VXNXHJTFSA-N	-1	3	423.472	4.226	40	30		HIEBHM
CCCCn1cc(CN2CCC[C@H]2c2cccc([N-]c3ncc(C#N)s3)n2)c(C)n1	ZINC000585294583	571307350	/nfs/dbraw/zinc/30/73/50/571307350.db2.gz	SDTUNDQYPAEWQH-FQEVSTJZSA-N	-1	3	421.574	4.796	40	30		HIEBHM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c([O-])cc3O)S2)cc1	ZINC000408754482	557816504	/nfs/dbraw/zinc/81/65/04/557816504.db2.gz	KMDXKSKTFWFTLP-PXNMLYILSA-N	-1	3	419.300	4.314	40	30		HIEBHM
CN(C)Cc1cc(C(=O)/C=C/c2ccc(Br)cc2)cc(CN(C)C)c1[O-]	ZINC000016958809	558810413	/nfs/dbraw/zinc/81/04/13/558810413.db2.gz	XNYDDMGPBXTGGX-JXMROGBWSA-N	-1	3	417.347	4.174	40	30		HIEBHM
O=c1[n-]nc(-c2ccccc2)nc1C(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000017119704	558823092	/nfs/dbraw/zinc/82/30/92/558823092.db2.gz	YKGNBZKPVOGATI-NCELDCMTSA-N	-1	3	412.409	4.017	40	30		HIEBHM
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc([O-])c1	ZINC000004571394	560607779	/nfs/dbraw/zinc/60/77/79/560607779.db2.gz	PIUUJWICZDNLGV-KAXIZBKFSA-N	-1	3	413.524	4.395	40	30		HIEBHM
CCOc1cc(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)c1[O-]	ZINC000409104811	560675675	/nfs/dbraw/zinc/67/56/75/560675675.db2.gz	INLSWLMWJMEZHT-QPSGOUHRSA-N	-1	3	404.186	4.413	40	30		HIEBHM
Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1cccc([N-]c2ncc(C#N)s2)n1	ZINC000585293318	571310245	/nfs/dbraw/zinc/31/02/45/571310245.db2.gz	FBHNGIAOWZWEAI-HXUWFJFHSA-N	-1	3	421.574	4.885	40	30		HIEBHM
O=C(c1ccco1)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000000795040	559279764	/nfs/dbraw/zinc/27/97/64/559279764.db2.gz	AJHCXYJZHMTSGC-PXAZEXFGSA-N	-1	3	422.264	4.344	40	30		HIEBHM
CC(=O)C1=C([O-])C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1	ZINC000000856673	559289797	/nfs/dbraw/zinc/28/97/97/559289797.db2.gz	REDWOKIPBOARTP-INIZCTEOSA-N	-1	3	419.275	4.224	40	30		HIEBHM
CC([O-])=C1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1	ZINC000000856673	559289799	/nfs/dbraw/zinc/28/97/99/559289799.db2.gz	REDWOKIPBOARTP-INIZCTEOSA-N	-1	3	419.275	4.224	40	30		HIEBHM
COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1	ZINC000408861987	560648104	/nfs/dbraw/zinc/64/81/04/560648104.db2.gz	WCWUMACWMXODCJ-SXGWCWSVSA-N	-1	3	419.300	4.363	40	30		HIEBHM
CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1[O-]	ZINC000409320584	560709134	/nfs/dbraw/zinc/70/91/34/560709134.db2.gz	CAHBNSFMUWYPBD-UHFFFAOYSA-N	-1	3	420.694	4.353	40	30		HIEBHM
CSc1ncc(CN2CCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)cn1	ZINC000585294761	568746821	/nfs/dbraw/zinc/74/68/21/568746821.db2.gz	JQDITWYGSWXAIE-INIZCTEOSA-N	-1	3	409.544	4.002	40	30		HIEBHM
C=CCn1cc(CN2CCc3c(nc(N4CCC[C@@H](C)C4)[n-]c3=O)C2)c2ccccc21	ZINC000072335619	568920437	/nfs/dbraw/zinc/92/04/37/568920437.db2.gz	FVZAMHAMGYKXNE-GOSISDBHSA-N	-1	3	417.557	4.118	40	30		HIEBHM
COc1ccc(/C=C/C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cc1	ZINC000017088982	569274413	/nfs/dbraw/zinc/27/44/13/569274413.db2.gz	AAINSZVKCJKEOU-PPOCWRSBSA-N	-1	3	411.552	4.280	40	30		HIEBHM
COc1c([O-])ccc(/C=N/c2ccc3c(c2)C(=O)Nc2ccccc2O3)c1[N+](=O)[O-]	ZINC000104739937	569362692	/nfs/dbraw/zinc/36/26/92/569362692.db2.gz	MJPPYJKAZVWCBL-SSDVNMTOSA-N	-1	3	405.366	4.418	40	30		HIEBHM
CC(Nc1ccc(C)cc1)=C1C(=O)C(=O)N(c2ccc([O-])cc2)[C@H]1c1cccc(O)c1	ZINC000100249814	559133418	/nfs/dbraw/zinc/13/34/18/559133418.db2.gz	NFZWXLVNIZVLPV-GTRUEHEQSA-N	-1	3	414.461	4.449	40	30		HIEBHM
C=CCn1cc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)c2ccccc21	ZINC000072335644	568920378	/nfs/dbraw/zinc/92/03/78/568920378.db2.gz	SOWILKCQVVRXFG-UHFFFAOYSA-N	-1	3	417.557	4.118	40	30		HIEBHM
Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccc(C#N)cc3)SC2=S)c(Cl)c1	ZINC000409149979	569386557	/nfs/dbraw/zinc/38/65/57/569386557.db2.gz	XBCXCSLWNUZISC-CXUHLZMHSA-N	-1	3	413.911	4.066	40	30		HIEBHM
[O-]c1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1	ZINC000051340000	526341344	/nfs/dbraw/zinc/34/13/44/526341344.db2.gz	DQGQUFXUPBRPLW-LSCVHKIXSA-N	-1	3	409.696	4.238	40	30		HIEBHM
O=C(c1ccco1)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000000795043	559279760	/nfs/dbraw/zinc/27/97/60/559279760.db2.gz	AJHCXYJZHMTSGC-YVEFUNNKSA-N	-1	3	422.264	4.344	40	30		HIEBHM
CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c([O-])c1	ZINC000409303910	560708102	/nfs/dbraw/zinc/70/81/02/560708102.db2.gz	ILSBERMXMAKWKS-UHFFFAOYSA-N	-1	3	424.460	4.464	40	30		HIEBHM
CCOc1cc(/C=N/[O-])cc(I)c1OCc1ccccc1F	ZINC000253570669	568754898	/nfs/dbraw/zinc/75/48/98/568754898.db2.gz	NXUNRJQKIYNJPL-DJKKODMXSA-N	-1	3	415.202	4.216	40	30		HIEBHM
N#Cc1ccccc1COc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br	ZINC000015226941	568819100	/nfs/dbraw/zinc/81/91/00/568819100.db2.gz	OXJSMNOUMOSKMP-LZYBPNLTSA-N	-1	3	415.268	4.224	40	30		HIEBHM
O=C(NN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccccc1)c1ccccc1[O-]	ZINC000005584494	557663431	/nfs/dbraw/zinc/66/34/31/557663431.db2.gz	XZNMRZYHJNUBSL-MIIQOVFOSA-N	-1	3	415.474	4.341	40	30		HIEBHM
CC1=c2[n-]c(=O)c(=CC(=O)c3ccc(Br)cc3)nc2N(c2ccccc2)N1	ZINC000016266239	558782274	/nfs/dbraw/zinc/78/22/74/558782274.db2.gz	IHNIIHGUOSFRDD-LFIBNONCSA-N	-1	3	423.270	4.074	40	30		HIEBHM
N#CC=C([O-])c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1	ZINC000098210930	559127215	/nfs/dbraw/zinc/12/72/15/559127215.db2.gz	JOPXFLWRYSEIRA-SNVBAGLBSA-N	-1	3	406.076	4.349	40	30		HIEBHM
CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1[O-]	ZINC000408964899	560658989	/nfs/dbraw/zinc/65/89/89/560658989.db2.gz	IKFYPYBHZMVIBM-MHWRWJLKSA-N	-1	3	404.875	4.345	40	30		HIEBHM
COc1cc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc(Br)c1[O-]	ZINC000016441044	560860838	/nfs/dbraw/zinc/86/08/38/560860838.db2.gz	BWKHXAGMISERHA-DHDCSXOGSA-N	-1	3	419.300	4.363	40	30		HIEBHM
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Br)c([O-])cc3O)S2)c(C)c1	ZINC000059459406	568704287	/nfs/dbraw/zinc/70/42/87/568704287.db2.gz	BKPQAHLQXNUJSJ-APSNUPSMSA-N	-1	3	419.300	4.369	40	30		HIEBHM
Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(Br)c([O-])cc2O)S1	ZINC000059459382	568704289	/nfs/dbraw/zinc/70/42/89/568704289.db2.gz	ZMVFZLKTHGCVME-CHHVJCJISA-N	-1	3	405.273	4.060	40	30		HIEBHM
CSc1ncc(CN2CCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)cn1	ZINC000585294762	568746363	/nfs/dbraw/zinc/74/63/63/568746363.db2.gz	JQDITWYGSWXAIE-MRXNPFEDSA-N	-1	3	409.544	4.002	40	30		HIEBHM
C=CCn1cc(CN2CCc3c(nc(N4CCC[C@H](C)C4)[n-]c3=O)C2)c2ccccc21	ZINC000072335620	568920232	/nfs/dbraw/zinc/92/02/32/568920232.db2.gz	FVZAMHAMGYKXNE-SFHVURJKSA-N	-1	3	417.557	4.118	40	30		HIEBHM
CCOc1cc(Br)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1[O-]	ZINC000022468321	520652378	/nfs/dbraw/zinc/65/23/78/520652378.db2.gz	BBTFMUXUGRHWGP-LPYMAVHISA-N	-1	3	419.319	4.136	40	30		HIEBHM
CN(C)Cc1cc(C(=O)/C=C\c2ccc(Br)cc2)cc(CN(C)C)c1[O-]	ZINC000031870598	521890038	/nfs/dbraw/zinc/89/00/38/521890038.db2.gz	XNYDDMGPBXTGGX-YFHOEESVSA-N	-1	3	417.347	4.174	40	30		HIEBHM
[O-]c1ccc2ccccc2c1/C=N\N1CCN(/N=C\c2c(O)ccc3ccccc32)CC1	ZINC000008649256	557798404	/nfs/dbraw/zinc/79/84/04/557798404.db2.gz	PMCNJQXQVINAAP-HJTNQMAYSA-N	-1	3	424.504	4.390	40	30		HIEBHM
COc1ccc(C=CC([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1	ZINC000100316276	559134019	/nfs/dbraw/zinc/13/40/19/559134019.db2.gz	LRJHOCLEOFFAGF-GORDUTHDSA-N	-1	3	404.253	4.408	40	30		HIEBHM
[O-]c1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1I	ZINC000408931448	560655724	/nfs/dbraw/zinc/65/57/24/560655724.db2.gz	LSMANHHRBZBRAL-UWVJOHFNSA-N	-1	3	406.145	4.462	40	30		HIEBHM
COc1cc(/C=N/[O-])cc(I)c1OCc1cc(C)cc(C)c1	ZINC000408935970	560656049	/nfs/dbraw/zinc/65/60/49/560656049.db2.gz	FJODGRWNLJVOII-DJKKODMXSA-N	-1	3	411.239	4.304	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1cc(C)ccc1C	ZINC000409255380	560703116	/nfs/dbraw/zinc/70/31/16/560703116.db2.gz	HNPOHWUVOCHKCQ-FBHDLOMBSA-N	-1	3	421.291	4.290	40	30		HIEBHM
O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cc(Br)ccc1[O-]	ZINC000409401022	560720878	/nfs/dbraw/zinc/72/08/78/560720878.db2.gz	BQUBJORNVCYHPA-UHFFFAOYSA-N	-1	3	420.266	4.414	40	30		HIEBHM
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1	ZINC000017092105	560866850	/nfs/dbraw/zinc/86/68/50/560866850.db2.gz	HQXGEXGKRRXLEM-KEBDBYFISA-N	-1	3	420.332	4.437	40	30		HIEBHM
C/C(=N/N=C1\SC(CC(=O)[O-])C(=O)N1c1ccc(C)cc1)c1ccc(Cl)cc1	ZINC000059475403	568707219	/nfs/dbraw/zinc/70/72/19/568707219.db2.gz	CEOIJKDKRQHHJD-JHCHLJSSSA-N	-1	3	415.902	4.352	40	30		HIEBHM
COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1[O-]	ZINC000006490535	568936797	/nfs/dbraw/zinc/93/67/97/568936797.db2.gz	UQHOELBVBVYGQV-CAOOACKPSA-N	-1	3	402.619	4.105	40	30		HIEBHM
CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c([O-])c1	ZINC000004675043	557579895	/nfs/dbraw/zinc/57/98/95/557579895.db2.gz	XVKLZXSQQCLCRP-MTJSOVHGSA-N	-1	3	401.923	4.321	40	30		HIEBHM
COc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc(Cl)c1[O-]	ZINC000409136655	560682506	/nfs/dbraw/zinc/68/25/06/560682506.db2.gz	YBJVJZCCQPFGDU-ZSOIEALJSA-N	-1	3	423.277	4.108	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1ccc(C)cc1C	ZINC000409254932	560703085	/nfs/dbraw/zinc/70/30/85/560703085.db2.gz	YLYUJFKGXYRSIW-FBHDLOMBSA-N	-1	3	421.291	4.290	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409253725	560703749	/nfs/dbraw/zinc/70/37/49/560703749.db2.gz	VBDYLOYSGLSNSF-FBHDLOMBSA-N	-1	3	421.291	4.290	40	30		HIEBHM
CCCCCCCCC(=O)N1[C@H](C(=O)[O-])COC12CCN(Cc1ccccc1)CC2	ZINC000100420683	568935543	/nfs/dbraw/zinc/93/55/43/568935543.db2.gz	TUXFHUVRAANBOC-NRFANRHFSA-N	-1	3	416.562	4.041	40	30		HIEBHM
[O-]/N=C\c1ccc(OCc2ccc(F)cc2Cl)c(I)c1	ZINC000216810621	569024711	/nfs/dbraw/zinc/02/47/11/569024711.db2.gz	PDXSKZPDCWJACX-WSVATBPTSA-N	-1	3	405.594	4.471	40	30		HIEBHM
COc1cc(/C=N\[O-])cc(I)c1OCc1ccc(Cl)cc1	ZINC000100250266	557561078	/nfs/dbraw/zinc/56/10/78/557561078.db2.gz	FTDZMLPXNRNYBS-LSCVHKIXSA-N	-1	3	417.630	4.340	40	30		HIEBHM
COc1cc(/C=N\[O-])cc(I)c1OCc1ccccc1Cl	ZINC000100250272	557561229	/nfs/dbraw/zinc/56/12/29/557561229.db2.gz	QDLGTEKHDMGZOD-LSCVHKIXSA-N	-1	3	417.630	4.340	40	30		HIEBHM
CN1C2=C(C(=O)CCC2)C(c2cc(Br)ccc2[O-])C2=C1CCCC2=O	ZINC000409036649	560668829	/nfs/dbraw/zinc/66/88/29/560668829.db2.gz	SARNEGBCRSJGQO-UHFFFAOYSA-N	-1	3	402.288	4.198	40	30		HIEBHM
COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccccc3[O-])cc21	ZINC000409295340	560706993	/nfs/dbraw/zinc/70/69/93/560706993.db2.gz	DUBNHQCHFZNFBJ-UHFFFAOYSA-N	-1	3	411.417	4.406	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1cccc(F)c1	ZINC000100250384	568935947	/nfs/dbraw/zinc/93/59/47/568935947.db2.gz	BTIZKHLZZMLTEY-OCKHKDLRSA-N	-1	3	415.202	4.216	40	30		HIEBHM
CCOc1cc(Br)cc(/C=N/c2ccccc2N2CCOCC2)c1[O-]	ZINC000032115301	520651056	/nfs/dbraw/zinc/65/10/56/520651056.db2.gz	DSLDZYKDTLALSW-FYJGNVAPSA-N	-1	3	405.292	4.141	40	30		HIEBHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccn2)cc1	ZINC000019138721	524384471	/nfs/dbraw/zinc/38/44/71/524384471.db2.gz	HSMVEYMWWRDRSB-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccn2)cc1	ZINC000019138721	524384484	/nfs/dbraw/zinc/38/44/84/524384484.db2.gz	HSMVEYMWWRDRSB-OAQYLSRUSA-N	-1	3	400.434	4.182	40	30		HIEBHM
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1[O-]	ZINC000408600466	557510769	/nfs/dbraw/zinc/51/07/69/557510769.db2.gz	ZEWYWBMXFLIHPP-UHFFFAOYSA-N	-1	3	400.891	4.221	40	30		HIEBHM
O=C(c1ccco1)C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000000795041	559279800	/nfs/dbraw/zinc/27/98/00/559279800.db2.gz	AJHCXYJZHMTSGC-SJKOYZFVSA-N	-1	3	422.264	4.344	40	30		HIEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1ccccc1C	ZINC000216826076	569024970	/nfs/dbraw/zinc/02/49/70/569024970.db2.gz	NIIJDCOSVHMGRR-GRSHGNNSSA-N	-1	3	411.239	4.385	40	30		HIEBHM
CCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(C(=O)OC)cc1	ZINC000008363721	569362198	/nfs/dbraw/zinc/36/21/98/569362198.db2.gz	ZVGJTEJYRTUJFO-SLHJDRLVSA-N	-1	3	416.886	4.456	40	30		HIEBHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)Cc3ccc(Cl)cc3)sc2C1	ZINC000006824562	569387398	/nfs/dbraw/zinc/38/73/98/569387398.db2.gz	VMIHCAYHJNJLPK-NSHDSACASA-N	-1	3	403.960	4.454	40	30		HIEBHM
O=C1C=CC(=NNc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c2ccccc21	ZINC000100436355	558882599	/nfs/dbraw/zinc/88/25/99/558882599.db2.gz	RRGMYGFTTQALRD-DARPEHSRSA-N	-1	3	403.463	4.056	40	30		HIEBHM
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=Cc2ccc([O-])cc2)C1=O	ZINC000408982289	560661060	/nfs/dbraw/zinc/66/10/60/560661060.db2.gz	DCLUCUQPWPMDIX-GZTJUZNOSA-N	-1	3	414.255	4.032	40	30		HIEBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(C#N)cc2)c(C)c1	ZINC000101252803	568644676	/nfs/dbraw/zinc/64/46/76/568644676.db2.gz	HPYXJYJECHFNPV-SGNDLWITSA-N	-1	3	423.472	4.226	40	30		HIEBHM
COc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc(Br)c1[O-]	ZINC000059105685	568700458	/nfs/dbraw/zinc/70/04/58/568700458.db2.gz	SSGKGUUXXRDGPV-RIYZIHGNSA-N	-1	3	423.263	4.194	40	30		HIEBHM
CCC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000006386259	560742620	/nfs/dbraw/zinc/74/26/20/560742620.db2.gz	FIIFPVDVUMMNQF-VXLYETTFSA-N	-1	3	406.305	4.128	40	30		HIEBHM
COC(=O)c1sc([N-]C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C#N)c1C	ZINC000033615979	569350706	/nfs/dbraw/zinc/35/07/06/569350706.db2.gz	YJGNOCWKDLGKPA-UHFFFAOYSA-N	-1	3	411.395	4.135	40	30		HIEBHM
CCCCCCCCCCCCCCCC(=O)OC1=C([O-])C(=O)O[C@H]1[C@H](O)CO	ZINC000136378182	560575893	/nfs/dbraw/zinc/57/58/93/560575893.db2.gz	DLPACQFCRQUOOZ-XLIONFOSSA-N	-1	3	414.539	4.059	40	30		HIEBHM
COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Br)c1[O-]	ZINC000409213939	560696277	/nfs/dbraw/zinc/69/62/77/560696277.db2.gz	WLUUAWOEARHDID-OBHXIIETSA-N	-1	3	413.337	4.252	40	30		HIEBHM
CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(I)c1[O-]	ZINC000409371250	560716847	/nfs/dbraw/zinc/71/68/47/560716847.db2.gz	GNLLDVMOZPQIQP-NTUHNPAUSA-N	-1	3	406.219	4.218	40	30		HIEBHM
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1[O-]	ZINC000409411187	560721477	/nfs/dbraw/zinc/72/14/77/560721477.db2.gz	FKKNQYGAHLAGTP-UHFFFAOYSA-N	-1	3	408.527	4.493	40	30		HIEBHM
COc1cc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)ccc1O	ZINC000005728585	557671367	/nfs/dbraw/zinc/67/13/67/557671367.db2.gz	MSAUYOVEIIKUSC-JOCHJYFZSA-N	-1	3	415.445	4.492	40	30		HIEBHM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)ccc1O	ZINC000005728585	557671369	/nfs/dbraw/zinc/67/13/69/557671369.db2.gz	MSAUYOVEIIKUSC-JOCHJYFZSA-N	-1	3	415.445	4.492	40	30		HIEBHM
COc1cc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)ccc1O	ZINC000005728587	557671414	/nfs/dbraw/zinc/67/14/14/557671414.db2.gz	MSAUYOVEIIKUSC-QFIPXVFZSA-N	-1	3	415.445	4.492	40	30		HIEBHM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)cc2)ccc1O	ZINC000005728587	557671418	/nfs/dbraw/zinc/67/14/18/557671418.db2.gz	MSAUYOVEIIKUSC-QFIPXVFZSA-N	-1	3	415.445	4.492	40	30		HIEBHM
COc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1	ZINC000408721655	557768113	/nfs/dbraw/zinc/76/81/13/557768113.db2.gz	WMEOXQBBZUDADU-DHDCSXOGSA-N	-1	3	405.273	4.055	40	30		HIEBHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(I)cc1	ZINC000408739504	557805482	/nfs/dbraw/zinc/80/54/82/557805482.db2.gz	CHZIOJZATBCVNS-YDDPGSGASA-N	-1	3	403.223	4.032	40	30		HIEBHM
O=C(c1ccco1)C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000000795042	559279754	/nfs/dbraw/zinc/27/97/54/559279754.db2.gz	AJHCXYJZHMTSGC-SJCJKPOMSA-N	-1	3	422.264	4.344	40	30		HIEBHM
CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[O-]	ZINC000409303633	560708113	/nfs/dbraw/zinc/70/81/13/560708113.db2.gz	NVKFPYJCXNGBFV-UHFFFAOYSA-N	-1	3	400.276	4.089	40	30		HIEBHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)n1	ZINC000004623837	557573735	/nfs/dbraw/zinc/57/37/35/557573735.db2.gz	XZDMQSHRDJVPFI-HXUWFJFHSA-N	-1	3	415.405	4.081	40	30		HIEBHM
COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(Br)c1[O-]	ZINC000408874099	560649184	/nfs/dbraw/zinc/64/91/84/560649184.db2.gz	YOVLIVLPYNPQDK-ZSOIEALJSA-N	-1	3	423.263	4.194	40	30		HIEBHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)cc1	ZINC000019138220	560871947	/nfs/dbraw/zinc/87/19/47/560871947.db2.gz	KXWGLRUVDJSVOI-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1	ZINC000019138220	560871948	/nfs/dbraw/zinc/87/19/48/560871948.db2.gz	KXWGLRUVDJSVOI-NRFANRHFSA-N	-1	3	400.434	4.182	40	30		HIEBHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)Cc3ccc(Cl)cc3)sc2C1	ZINC000006764131	569114201	/nfs/dbraw/zinc/11/42/01/569114201.db2.gz	VMIHCAYHJNJLPK-LLVKDONJSA-N	-1	3	403.960	4.454	40	30		HIEBHM