smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NN([C@H](C#N)c2ccc(Br)cc2[O-])[C@@H](c2ccccc2)C1	ZINC000012867996	220036674	/nfs/dbraw/zinc/03/66/74/220036674.db2.gz	HFJPDWHCRYIMBR-IAGOWNOFSA-N	-1	1	370.250	4.542	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000006720082	206203929	/nfs/dbraw/zinc/20/39/29/206203929.db2.gz	NHGKSPUVEUWDDC-FQEVSTJZSA-N	-1	1	373.383	4.609	50	30		FJEAMM
CCCCc1cc(=O)oc2c(C)c([O-])c(C(C)=NNc3ccccc3)cc12	ZINC000096343756	222115916	/nfs/dbraw/zinc/11/59/16/222115916.db2.gz	BKIXWEITGPTCKE-HAHDFKILSA-N	-1	1	364.445	4.986	50	30		FJEAMM
N#CC(=N[N-]c1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1	ZINC000103612459	222339745	/nfs/dbraw/zinc/33/97/45/222339745.db2.gz	ZKOHIPOBPRQIBN-DEDYPNTBSA-N	-1	1	352.608	4.821	50	30		FJEAMM
COc1cc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)cc(Cl)c1[O-]	ZINC000299738310	521966296	/nfs/dbraw/zinc/96/62/96/521966296.db2.gz	SYMUNVUPLLGHLU-SDQBBNPISA-N	-1	1	371.603	4.977	50	30		FJEAMM
COc1cc(/C=C2\Oc3cc(C)c(Cl)c(C)c3C2=O)cc(Cl)c1[O-]	ZINC000299738147	521969533	/nfs/dbraw/zinc/96/95/33/521969533.db2.gz	BNVNYSMOSKEJMP-AUWJEWJLSA-N	-1	1	365.212	4.941	50	30		FJEAMM
O=C1c2ccccc2C(=O)C([C@H](c2ccccc2)c2ccc(F)cc2)=C1[O-]	ZINC000001201992	570492046	/nfs/dbraw/zinc/49/20/46/570492046.db2.gz	QXEQCGHNWGAXMB-LJQANCHMSA-N	-1	1	358.368	4.849	50	30		FJEAMM
Cc1ccsc1/C=N/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000004616291	204150794	/nfs/dbraw/zinc/15/07/94/204150794.db2.gz	YMACMGUTQVRNDW-UDWIEESQSA-N	-1	1	374.462	4.747	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000005888669	206199731	/nfs/dbraw/zinc/19/97/31/206199731.db2.gz	NHGKSPUVEUWDDC-HXUWFJFHSA-N	-1	1	373.383	4.609	50	30		FJEAMM
COc1cc(Br)c([O-])c(/C=N/c2ccc(C(F)(F)F)cc2)c1	ZINC000100318569	222241675	/nfs/dbraw/zinc/24/16/75/222241675.db2.gz	BABKQHJDXKDIIL-DNTJNYDQSA-N	-1	1	374.156	4.933	50	30		FJEAMM
C=CCn1c(CN2c3ccccc3Sc3ccccc32)n[n-]c1=S	ZINC000004333616	534440549	/nfs/dbraw/zinc/44/05/49/534440549.db2.gz	QJVIXPJLSOIYEV-UHFFFAOYSA-N	-1	1	352.488	4.930	50	30		FJEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2cccc(C)c2)cc1	ZINC000100139961	570523555	/nfs/dbraw/zinc/52/35/55/570523555.db2.gz	AYZNKGNUEDNTPT-PXLXIMEGSA-N	-1	1	364.470	4.855	50	30		FJEAMM
COc1ccc(C=Nc2ccc(-c3nc4ccccc4o3)c([O-])c2)cc1OC	ZINC000252632006	570624421	/nfs/dbraw/zinc/62/44/21/570624421.db2.gz	VOAGIFVDMMRUQL-UHFFFAOYSA-N	-1	1	374.396	4.968	50	30		FJEAMM
CCCCCCCN1c2ccccc2C(=C2SC(=S)[N-]C2=O)C1=O	ZINC000097946062	520051846	/nfs/dbraw/zinc/05/18/46/520051846.db2.gz	IXVACPKTPLOQRN-CCEZHUSRSA-N	-1	1	360.504	4.703	50	30		FJEAMM
CCCCc1c(C)nc(NN=C(C)c2ccc(Cl)c(Cl)c2)[n-]c1=O	ZINC000013548630	521257537	/nfs/dbraw/zinc/25/75/37/521257537.db2.gz	AJFKJSLVFHBGLG-LSHDLFTRSA-N	-1	1	367.280	4.564	50	30		FJEAMM
O=C(C=C([O-])C(=O)Nc1ccccc1Nc1ccccc1)c1ccccc1	ZINC000100672315	527593278	/nfs/dbraw/zinc/59/32/78/527593278.db2.gz	VGMLAGWQIFNUMI-QNGOZBTKSA-N	-1	1	358.397	4.694	50	30		FJEAMM
N#Cc1c(/N=C/c2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000000828738	570458958	/nfs/dbraw/zinc/45/89/58/570458958.db2.gz	RFMGJGDIWVAVCP-DJKKODMXSA-N	-1	1	361.264	4.717	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000009089560	570691439	/nfs/dbraw/zinc/69/14/39/570691439.db2.gz	KYVGEAXNUCTVBJ-FQEVSTJZSA-N	-1	1	373.383	4.609	50	30		FJEAMM
C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c([O-])c1	ZINC000013125505	571323041	/nfs/dbraw/zinc/32/30/41/571323041.db2.gz	RGLDSLCSFHQZTE-UHFFFAOYSA-N	-1	1	367.836	4.707	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000018212207	570876625	/nfs/dbraw/zinc/87/66/25/570876625.db2.gz	INNSFJBZIBQZLU-HXUWFJFHSA-N	-1	1	373.383	4.609	50	30		FJEAMM
Cc1cc(Br)c([O-])c(/C=N/c2ccccc2N2CCCC2)c1	ZINC000001098781	571146586	/nfs/dbraw/zinc/14/65/86/571146586.db2.gz	QLDNNLFIKFSHTP-UDWIEESQSA-N	-1	1	359.267	4.814	50	30		FJEAMM
Cc1ccc(C(N=Nc2ccc(F)cc2F)c2ccccc2C(=O)[O-])cc1	ZINC000004587136	204149669	/nfs/dbraw/zinc/14/96/69/204149669.db2.gz	TZGSGHYYXBBKGZ-LKUDQCMESA-N	-1	1	366.367	4.836	50	30		FJEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccc2)cc1	ZINC000004795095	204163760	/nfs/dbraw/zinc/16/37/60/204163760.db2.gz	WLSCTGNIHVFNRV-RCCKNPSSSA-N	-1	1	350.443	4.546	50	30		FJEAMM
Cc1ccccc1COc1ccc2ccccc2c1C=Nn1cn[n-]c1=S	ZINC000006132148	525175104	/nfs/dbraw/zinc/17/51/04/525175104.db2.gz	GEMWWWWWGFDJCJ-FSJBWODESA-N	-1	1	374.469	4.864	50	30		FJEAMM
CC1(C)CC(=O)C2=C(C1)Oc1ccccc1[C@H]2CC(=O)c1ccc([O-])cc1	ZINC000001024373	570471612	/nfs/dbraw/zinc/47/16/12/570471612.db2.gz	MGJUOHMAFACQFM-QGZVFWFLSA-N	-1	1	362.425	4.784	50	30		FJEAMM
CC1=NN([C@@H](C#N)c2ccc(Br)cc2[O-])[C@@H](c2ccccc2)C1	ZINC000004783678	571235827	/nfs/dbraw/zinc/23/58/27/571235827.db2.gz	HFJPDWHCRYIMBR-SJORKVTESA-N	-1	1	370.250	4.542	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(F)cc1	ZINC000005596003	204217625	/nfs/dbraw/zinc/21/76/25/204217625.db2.gz	CVIVCCKWIYIMKB-FQEVSTJZSA-N	-1	1	373.383	4.609	50	30		FJEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1	ZINC000004539032	521939641	/nfs/dbraw/zinc/93/96/41/521939641.db2.gz	GJKRPFXKKYXEHX-NTUHNPAUSA-N	-1	1	360.409	4.876	50	30		FJEAMM
CCCCCCCCSc1nc(C)c(CC(=O)OCC(C)C)c(=O)[n-]1	ZINC000102043611	222288420	/nfs/dbraw/zinc/28/84/20/222288420.db2.gz	ARJFDLVZMXAKAF-UHFFFAOYSA-N	-1	1	368.543	4.685	50	30		FJEAMM
CCCCCCCCCCCCCCCC([O-])=C1C(=O)O[C@H](CO)C1=O	ZINC000100031544	519987577	/nfs/dbraw/zinc/98/75/77/519987577.db2.gz	KZTSLHQKWLYYAC-GOSISDBHSA-N	-1	1	368.514	4.767	50	30	in-vitro	FJEAMM
COc1cc(/C=C2\Oc3c(cc(Cl)cc3Cl)C2=O)cc(Cl)c1[O-]	ZINC000299738123	521966602	/nfs/dbraw/zinc/96/66/02/521966602.db2.gz	ABWMKUUJXICJDW-PQMHYQBVSA-N	-1	1	371.603	4.977	50	30		FJEAMM
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)cc(Cl)c1OC(F)F	ZINC000096766261	521982839	/nfs/dbraw/zinc/98/28/39/521982839.db2.gz	STHXSPKQSRCTCB-UQCOIBPSSA-N	-1	1	354.736	4.552	50	30		FJEAMM
O=[N+]([O-])c1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2[O-])cc1	ZINC000108299143	527347438	/nfs/dbraw/zinc/34/74/38/527347438.db2.gz	GZJRWHJBWXZBCO-YMGPPEANSA-N	-1	1	361.361	4.858	50	30		FJEAMM
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc([O-])cc1	ZINC000033735709	527660406	/nfs/dbraw/zinc/66/04/06/527660406.db2.gz	HKHQTTSYXUHQRZ-RAXLEYEMSA-N	-1	1	367.408	4.536	50	30		FJEAMM
N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc([O-])c(Cl)c3)c2)cc1	ZINC000095395321	571329241	/nfs/dbraw/zinc/32/92/41/571329241.db2.gz	VCEDMGSVEAMRAB-UHFFFAOYSA-N	-1	1	364.788	4.962	50	30		FJEAMM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1	ZINC000002489796	204041470	/nfs/dbraw/zinc/04/14/70/204041470.db2.gz	QXYCWPYEUCWASO-CIAFOILYSA-N	-1	1	358.357	4.594	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1	ZINC000005595999	204217170	/nfs/dbraw/zinc/21/71/70/204217170.db2.gz	CVIVCCKWIYIMKB-HXUWFJFHSA-N	-1	1	373.383	4.609	50	30		FJEAMM
CC1=C(C)C(=O)C(c2cccc(CCCCCCC(=O)[O-])c2)=C(C)C1=O	ZINC000100084544	222234016	/nfs/dbraw/zinc/23/40/16/222234016.db2.gz	QABFLCMWFHMKLZ-UHFFFAOYSA-N	-1	1	354.446	4.526	50	30		FJEAMM
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2O)cc1)c1ccccc1[O-]	ZINC000004582924	263334266	/nfs/dbraw/zinc/33/42/66/263334266.db2.gz	GSFRPUAGDBMSNQ-WXUKJITCSA-N	-1	1	370.404	4.890	50	30		FJEAMM
N#Cc1c(/N=C/c2ccc(O)cc2[O-])oc(-c2ccco2)c1-c1ccco1	ZINC000005635947	570632032	/nfs/dbraw/zinc/63/20/32/570632032.db2.gz	GCMDJMTWSNWZHT-SSDVNMTOSA-N	-1	1	360.325	4.833	50	30		FJEAMM
C=C(C)COc1ccc(-c2ncncc2Oc2ccc(OC)cc2)c([O-])c1	ZINC000017951283	570767840	/nfs/dbraw/zinc/76/78/40/570767840.db2.gz	UQGQNYXGFUXKHH-UHFFFAOYSA-N	-1	1	364.401	4.605	50	30		FJEAMM
O=C1c2ccc([O-])cc2CC/C1=C\c1csc(-c2ccc(F)cc2)n1	ZINC000072079819	571135351	/nfs/dbraw/zinc/13/53/51/571135351.db2.gz	YUSMIBCCKCVLJG-NTEUORMPSA-N	-1	1	351.402	4.867	50	30		FJEAMM
CN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020647144	571331648	/nfs/dbraw/zinc/33/16/48/571331648.db2.gz	BXQGMDSZCAECGX-HMAPJEAMSA-N	-1	1	371.436	4.737	50	30		FJEAMM
[O-]/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21	ZINC000006942374	207180180	/nfs/dbraw/zinc/18/01/80/207180180.db2.gz	OKRZNTTYGCYMLV-RGVLZGJSSA-N	-1	1	356.219	4.989	50	30		FJEAMM
[O-]/N=C/c1cc(Br)ccc1OCc1cccc2ccccc21	ZINC000006942572	207179662	/nfs/dbraw/zinc/17/96/62/207179662.db2.gz	DLHRHJHJHGTEPR-RGVLZGJSSA-N	-1	1	356.219	4.989	50	30		FJEAMM
C=C(C)COc1ccc(-c2ncncc2Oc2ccccc2OC)c([O-])c1	ZINC000005573427	518613199	/nfs/dbraw/zinc/61/31/99/518613199.db2.gz	YLWWZUZXMKAEGZ-UHFFFAOYSA-N	-1	1	364.401	4.605	50	30		FJEAMM
COc1ccc(/N=C/c2cc(C)cc(Br)c2[O-])cc1Cl	ZINC000001433903	571076962	/nfs/dbraw/zinc/07/69/62/571076962.db2.gz	IDDUIUMCEUZQJT-QGMBQPNBSA-N	-1	1	354.631	4.876	50	30		FJEAMM
N#CC(=N[N-]c1c(Cl)cc(Cl)cc1Cl)C(=O)c1ccccc1	ZINC000252642280	571292176	/nfs/dbraw/zinc/29/21/76/571292176.db2.gz	ZKOHIPOBPRQIBN-UHFFFAOYSA-N	-1	1	352.608	4.821	50	30		FJEAMM
O=C1c2ccccc2C(=O)C([C@@H](c2ccccc2)c2ccc(F)cc2)=C1[O-]	ZINC000001201989	219388582	/nfs/dbraw/zinc/38/85/82/219388582.db2.gz	QXEQCGHNWGAXMB-IBGZPJMESA-N	-1	1	358.368	4.849	50	30		FJEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccccc2C)cc1	ZINC000018168497	220225477	/nfs/dbraw/zinc/22/54/77/220225477.db2.gz	QKJURYGWMNFODN-PXLXIMEGSA-N	-1	1	364.470	4.855	50	30		FJEAMM
COc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1OCc1ccccc1	ZINC000033665547	263396856	/nfs/dbraw/zinc/39/68/56/263396856.db2.gz	GJKRPFXKKYXEHX-QPEQYQDCSA-N	-1	1	360.409	4.876	50	30		FJEAMM
S=c1[n-]ncn1N=Cc1c(OCc2ccccc2)ccc2ccccc21	ZINC000005522804	570667144	/nfs/dbraw/zinc/66/71/44/570667144.db2.gz	DNPKFDJYPLVXEJ-WSDLNYQXSA-N	-1	1	360.442	4.555	50	30		FJEAMM
O=c1[nH]c2c(Cl)cc(Cl)cc2nc1C=C([O-])c1ccc(Cl)cc1	ZINC000004875904	207058267	/nfs/dbraw/zinc/05/82/67/207058267.db2.gz	HURZLINNAKKGPY-QPEQYQDCSA-N	-1	1	367.619	4.778	50	30		FJEAMM
O=C1c2ccc([O-])cc2CC/C1=C/c1csc(-c2ccc(F)cc2)n1	ZINC000098009364	222221313	/nfs/dbraw/zinc/22/13/13/222221313.db2.gz	YUSMIBCCKCVLJG-ZROIWOOFSA-N	-1	1	351.402	4.867	50	30		FJEAMM
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)SCc1ccccc1	ZINC000002387252	570520366	/nfs/dbraw/zinc/52/03/66/570520366.db2.gz	RCKQMPLZTPUVLG-UHFFFAOYSA-N	-1	1	366.483	4.736	50	30		FJEAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@@H](c2ccc(C#N)cc2)S1	ZINC000085412344	571113696	/nfs/dbraw/zinc/11/36/96/571113696.db2.gz	IOXSZRSKEQMBBK-GOSISDBHSA-N	-1	1	366.490	4.829	50	30		FJEAMM
COc1c(C=Nc2ccccc2[O-])cc(C)cc1C=Nc1ccccc1O	ZINC000252622911	571288434	/nfs/dbraw/zinc/28/84/34/571288434.db2.gz	OFPWBVLJOODCGJ-UHFFFAOYSA-N	-1	1	360.413	4.916	50	30		FJEAMM
N#CCc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	ZINC000002874481	209398438	/nfs/dbraw/zinc/39/84/38/209398438.db2.gz	IYKDDQDAIJXAKD-UHFFFAOYSA-N	-1	1	354.475	4.601	50	30		FJEAMM
COc1cccc2cc(C(=O)/C=C/c3ccc([O-])c(Br)c3)oc21	ZINC000012792995	220030125	/nfs/dbraw/zinc/03/01/25/220030125.db2.gz	KFRYREHMBXGXQO-SOFGYWHQSA-N	-1	1	373.202	4.806	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009329833	207266439	/nfs/dbraw/zinc/26/64/39/207266439.db2.gz	INNSFJBZIBQZLU-FQEVSTJZSA-N	-1	1	373.383	4.609	50	30		FJEAMM
COc1cccc2cc(C(=O)/C=C\c3ccc([O-])c(Br)c3)oc21	ZINC000096765892	222129169	/nfs/dbraw/zinc/12/91/69/222129169.db2.gz	KFRYREHMBXGXQO-VURMDHGXSA-N	-1	1	373.202	4.806	50	30		FJEAMM
CCCCCCCCSc1nc(C)c(CC(=O)OCCCC)c(=O)[n-]1	ZINC000100017550	222231735	/nfs/dbraw/zinc/23/17/35/222231735.db2.gz	VAZKHXOPVIQDSX-UHFFFAOYSA-N	-1	1	368.543	4.829	50	30		FJEAMM
CC1=Nc2c(c(=O)[n-]n2C2CCCCCC2)[C@H](c2ccc(C#N)cc2)S1	ZINC000085412337	571113424	/nfs/dbraw/zinc/11/34/24/571113424.db2.gz	IOXSZRSKEQMBBK-SFHVURJKSA-N	-1	1	366.490	4.829	50	30		FJEAMM
Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)c(C)c1	ZINC000028294304	571338992	/nfs/dbraw/zinc/33/89/92/571338992.db2.gz	MZPLVVSBZLHNIQ-XFXZXTDPSA-N	-1	1	353.365	4.675	50	30		FJEAMM
O=C1N/C(=N/c2cccc(Cl)c2)S/C1=C\c1ccc([O-])c(Cl)c1	ZINC000015015830	220141643	/nfs/dbraw/zinc/14/16/43/220141643.db2.gz	TZWQLADMCMLWSV-AUWJEWJLSA-N	-1	1	365.241	4.591	50	30		FJEAMM
C=C(C)COc1ccc(-c2ncncc2Oc2cccc(OC)c2)c([O-])c1	ZINC000005573721	206708690	/nfs/dbraw/zinc/70/86/90/206708690.db2.gz	KJDGQLFHQNRWGN-UHFFFAOYSA-N	-1	1	364.401	4.605	50	30		FJEAMM
CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(/C(C)=N/[O-])c(O)cc21	ZINC000261490951	518236389	/nfs/dbraw/zinc/23/63/89/518236389.db2.gz	RMTGUCUWUAYGNB-UFFVCSGVSA-N	-1	1	356.809	4.699	50	30		FJEAMM
Cc1ccc2nc(-c3ccc(N=Cc4ccc5c(c4)OCO5)cc3[O-])oc2c1	ZINC000252628764	571289380	/nfs/dbraw/zinc/28/93/80/571289380.db2.gz	SXIASZKNAHIKKD-UHFFFAOYSA-N	-1	1	372.380	4.988	50	30		FJEAMM
CCCc1cc(=O)oc2c(C)c([O-])c(C(C)=NNc3ccccc3)cc12	ZINC000096343754	222116251	/nfs/dbraw/zinc/11/62/51/222116251.db2.gz	LWGMTFYKVDXBHT-HMAPJEAMSA-N	-1	1	350.418	4.596	50	30		FJEAMM
O=[N+]([O-])c1cc(/N=C/c2cccc([O-])c2)ccc1/N=C/c1cccc(O)c1	ZINC000004099340	527326532	/nfs/dbraw/zinc/32/65/32/527326532.db2.gz	GLNXGAVKASUVCQ-ADYPVIEZSA-N	-1	1	361.357	4.507	50	30		FJEAMM
N#Cc1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1C1CCN2CC1	ZINC000000952803	570466355	/nfs/dbraw/zinc/46/63/55/570466355.db2.gz	RGMDCKGTOIBNHP-FSJBWODESA-N	-1	1	359.454	4.927	50	30		FJEAMM
Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000026461529	571005551	/nfs/dbraw/zinc/00/55/51/571005551.db2.gz	UABYDFKVZNKODA-PXNMLYILSA-N	-1	1	371.186	4.826	50	30		FJEAMM
COc1ccc(/N=C/c2cc(C)c(C)c(Br)c2[O-])cc1OC	ZINC000001434361	571077405	/nfs/dbraw/zinc/07/74/05/571077405.db2.gz	JAZMNMSTPXOPOS-DJKKODMXSA-N	-1	1	364.239	4.539	50	30		FJEAMM
N#Cc1c(N=Cc2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000252626774	571289129	/nfs/dbraw/zinc/28/91/29/571289129.db2.gz	RFMGJGDIWVAVCP-UHFFFAOYSA-N	-1	1	361.264	4.717	50	30		FJEAMM
CC1=NN([C@H](C#N)c2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1	ZINC000230019785	571340405	/nfs/dbraw/zinc/34/04/05/571340405.db2.gz	HFJPDWHCRYIMBR-DLBZAZTESA-N	-1	1	370.250	4.542	50	30		FJEAMM
CC1(C)CC(=O)C2=C(C1)Oc1ccccc1[C@@H]2CC(=O)c1ccc([O-])cc1	ZINC000001024371	219353876	/nfs/dbraw/zinc/35/38/76/219353876.db2.gz	MGJUOHMAFACQFM-KRWDZBQOSA-N	-1	1	362.425	4.784	50	30		FJEAMM
COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(Cl)c1OC(F)F	ZINC000013059510	521939743	/nfs/dbraw/zinc/93/97/43/521939743.db2.gz	STHXSPKQSRCTCB-FARCUNLSSA-N	-1	1	354.736	4.552	50	30		FJEAMM
CCCCCCCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[n-]c1=O	ZINC000002314544	570518775	/nfs/dbraw/zinc/51/87/75/570518775.db2.gz	INDJKGCUHBOBMT-UHFFFAOYSA-N	-1	1	365.481	4.586	50	30		FJEAMM
O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000009089561	570691305	/nfs/dbraw/zinc/69/13/05/570691305.db2.gz	KYVGEAXNUCTVBJ-HXUWFJFHSA-N	-1	1	373.383	4.609	50	30		FJEAMM
O=S(=O)([N-]c1ccc(C#Cc2ccccc2)cc1)c1ccc(Cl)cc1	ZINC000001384308	571055751	/nfs/dbraw/zinc/05/57/51/571055751.db2.gz	IDRCDMPUEWPMGL-UHFFFAOYSA-N	-1	1	367.857	4.541	50	30		FJEAMM
CC1=NN([C@@H](C#N)c2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1	ZINC000004783676	207048668	/nfs/dbraw/zinc/04/86/68/207048668.db2.gz	HFJPDWHCRYIMBR-IRXDYDNUSA-N	-1	1	370.250	4.542	50	30		FJEAMM
O=C1c2ccc([O-])cc2O/C1=C\c1cc2cc(Br)ccc2o1	ZINC000009420517	571108512	/nfs/dbraw/zinc/10/85/12/571108512.db2.gz	MUSWIQLXCRMGKO-PXNMLYILSA-N	-1	1	357.159	4.517	50	30		FJEAMM
C=C(C)Cc1c(C)nc(SCc2c(Cl)cccc2Cl)[n-]c1=O	ZINC000075260331	571158526	/nfs/dbraw/zinc/15/85/26/571158526.db2.gz	HPMGGKWVGWDUOT-UHFFFAOYSA-N	-1	1	355.290	4.796	50	30		FJEAMM
N#Cc1c(N=Cc2c([O-])ccc3ccccc32)sc2c1C1CCN2CC1	ZINC000252477607	571279814	/nfs/dbraw/zinc/27/98/14/571279814.db2.gz	RGMDCKGTOIBNHP-UHFFFAOYSA-N	-1	1	359.454	4.927	50	30		FJEAMM