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=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OCc1ccc(Br)cc1	ZINC000009762530	523440546	/nfs/dbraw/zinc/44/05/46/523440546.db2.gz	RTVWIGDCHGSSQE-KQFRHJRUSA-N	-1	1	492.351	3.433	50	30		JGEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000022607061	525438114	/nfs/dbraw/zinc/43/81/14/525438114.db2.gz	UODLIDGEXIKSFU-GOSISDBHSA-N	-1	1	466.538	3.351	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000015769672	526028573	/nfs/dbraw/zinc/02/85/73/526028573.db2.gz	ZZDGOFGTCMHARL-OAQYLSRUSA-N	-1	1	493.497	3.334	50	30		JGEAMM
CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000006143601	526208366	/nfs/dbraw/zinc/20/83/66/526208366.db2.gz	BLHWVKKJYTWOHT-ZDUSSCGKSA-N	-1	1	456.480	3.329	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1	ZINC000009359022	527315108	/nfs/dbraw/zinc/31/51/08/527315108.db2.gz	KIWDUKNIFIJHKW-HXUWFJFHSA-N	-1	1	497.460	3.164	50	30		JGEAMM
O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccncc1)N2	ZINC000019848733	527434924	/nfs/dbraw/zinc/43/49/24/527434924.db2.gz	PHAIXSIRWFRIKN-UHFFFAOYSA-N	-1	1	473.308	3.252	50	30		JGEAMM
C=CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000002276812	554129199	/nfs/dbraw/zinc/12/91/99/554129199.db2.gz	NMPBMXZAVCSFIX-MOSHPQCFSA-N	-1	1	465.531	3.045	50	30		JGEAMM
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000006393599	554533231	/nfs/dbraw/zinc/53/32/31/554533231.db2.gz	WBGUMDRKKYOTLY-HXUWFJFHSA-N	-1	1	453.451	3.104	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008892259	554780348	/nfs/dbraw/zinc/78/03/48/554780348.db2.gz	WLIIDEMGUZJDRW-NRFANRHFSA-N	-1	1	493.497	3.334	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008892259	554780349	/nfs/dbraw/zinc/78/03/49/554780349.db2.gz	WLIIDEMGUZJDRW-NRFANRHFSA-N	-1	1	493.497	3.334	50	30		JGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1ccc(Br)cc1	ZINC000009762839	555487935	/nfs/dbraw/zinc/48/79/35/555487935.db2.gz	NZLOSWGPXWXARY-YJCKXXIQSA-N	-1	1	492.351	3.433	50	30		JGEAMM
COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C	ZINC000026254991	556251478	/nfs/dbraw/zinc/25/14/78/556251478.db2.gz	HUEHGLUPXSRBGW-ZYHUDNBSSA-N	-1	1	461.466	3.325	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)[C@H](C)NS(=O)(=O)C=Cc3ccccc3)n2)n[n-]c1=S	ZINC000032787060	556494517	/nfs/dbraw/zinc/49/45/17/556494517.db2.gz	JMUURYBTMSELFP-MARXPDLDSA-N	-1	1	490.636	3.091	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(OC)c(OC)c4)c3[n-]2)C1	ZINC000064611745	569623163	/nfs/dbraw/zinc/62/31/63/569623163.db2.gz	WDXOQDOEOWAPTC-OAHLLOKOSA-N	-1	1	454.552	3.187	50	30		JGEAMM
COc1ccccc1NC(=O)Cc1sc(NN=Cc2ccc(Br)cc2)nc1[O-]	ZINC000072333072	569703165	/nfs/dbraw/zinc/70/31/65/569703165.db2.gz	WVTFYUXGIXEBKR-XYHOIZSOSA-N	-1	1	461.341	3.408	50	30		JGEAMM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3cccc(C(=O)[O-])c3)C1=O)O2	ZINC000253405279	570097118	/nfs/dbraw/zinc/09/71/18/570097118.db2.gz	IEVAIABZJPICBW-ICCXZJDVSA-N	-1	1	477.469	3.057	50	30		JGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccco2)nc1C	ZINC000102694110	130240557	/nfs/dbraw/zinc/24/05/57/130240557.db2.gz	LOEHCDJYYPHFAG-IBOXJLQUSA-N	-1	1	454.460	3.466	50	30		JGEAMM
C=CCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)c2C(=O)OC)C1	ZINC000014967450	518686514	/nfs/dbraw/zinc/68/65/14/518686514.db2.gz	SHQDQFRLJVPYHH-UHFFFAOYSA-N	-1	1	468.984	3.127	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)C1	ZINC000021710485	518928955	/nfs/dbraw/zinc/92/89/55/518928955.db2.gz	AHNWWPLWDAQBTD-FQEVSTJZSA-N	-1	1	455.580	3.259	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1	ZINC000021713001	518929905	/nfs/dbraw/zinc/92/99/05/518929905.db2.gz	GDEDIIRACQZAPC-OAQYLSRUSA-N	-1	1	455.580	3.319	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000022185114	523565667	/nfs/dbraw/zinc/56/56/67/523565667.db2.gz	PDXKVWDNEQBJJW-OAQYLSRUSA-N	-1	1	482.489	3.265	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000015769675	526027617	/nfs/dbraw/zinc/02/76/17/526027617.db2.gz	ZZDGOFGTCMHARL-NRFANRHFSA-N	-1	1	493.497	3.334	50	30		JGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC(=O)N2CCCC2)CS3)c1	ZINC000033290377	526724136	/nfs/dbraw/zinc/72/41/36/526724136.db2.gz	UINQRNZQSZBYGC-MRXNPFEDSA-N	-1	1	470.576	3.032	50	30		JGEAMM
O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-]	ZINC000009335519	527088722	/nfs/dbraw/zinc/08/87/22/527088722.db2.gz	UQUMYGUVSPODPN-UHFFFAOYSA-N	-1	1	482.434	3.072	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)NC1=O	ZINC000016115490	527632468	/nfs/dbraw/zinc/63/24/68/527632468.db2.gz	UPDBTCIHOCRTQM-CTJICSLTSA-N	-1	1	462.325	3.424	50	30		JGEAMM
C=CCc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)c(OC)c1	ZINC000001168848	553921915	/nfs/dbraw/zinc/92/19/15/553921915.db2.gz	GEISZMOQLQQZJH-UHFFFAOYSA-N	-1	1	461.543	3.372	50	30		JGEAMM
CN(C)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000006393765	554533219	/nfs/dbraw/zinc/53/32/19/554533219.db2.gz	WBGUMDRKKYOTLY-FQEVSTJZSA-N	-1	1	453.451	3.104	50	30		JGEAMM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(C#N)cc3)ccc2N2CCOCC2)cc1	ZINC000009670809	555388470	/nfs/dbraw/zinc/38/84/70/555388470.db2.gz	KSVBLDZVBDCXAY-UHFFFAOYSA-N	-1	1	492.557	3.457	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c1	ZINC000020309311	555765969	/nfs/dbraw/zinc/76/59/69/555765969.db2.gz	FACZRXFGCYMRET-QFIPXVFZSA-N	-1	1	454.498	3.140	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000020309875	555767733	/nfs/dbraw/zinc/76/77/33/555767733.db2.gz	SBPNKFIEFWSXSY-QFIPXVFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020310405	555768858	/nfs/dbraw/zinc/76/88/58/555768858.db2.gz	UROZOAFKSMCLBO-XMMPIXPASA-N	-1	1	480.561	3.400	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)c1	ZINC000020310452	555768872	/nfs/dbraw/zinc/76/88/72/555768872.db2.gz	PHKCIXYCHLNUMC-DEOSSOPVSA-N	-1	1	480.561	3.398	50	30		JGEAMM
CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310503	555768904	/nfs/dbraw/zinc/76/89/04/555768904.db2.gz	HHJRIGRVHNXFAV-DEOSSOPVSA-N	-1	1	480.561	3.400	50	30		JGEAMM
COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C	ZINC000026254980	556251502	/nfs/dbraw/zinc/25/15/02/556251502.db2.gz	HUEHGLUPXSRBGW-CMPLNLGQSA-N	-1	1	461.466	3.325	50	30		JGEAMM
CCOc1c(Br)cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1Br	ZINC000027551953	556296514	/nfs/dbraw/zinc/29/65/14/556296514.db2.gz	HSXWCSBANTXOMN-MJRCGYGRSA-N	-1	1	479.150	3.007	50	30		JGEAMM
COc1ccc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1CN1CCOCC1	ZINC000032573654	556445280	/nfs/dbraw/zinc/44/52/80/556445280.db2.gz	OOKNANVKDOSBBA-UUYOSTAYSA-N	-1	1	458.367	3.147	50	30		JGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CCCC1=O)N2	ZINC000033809966	569635462	/nfs/dbraw/zinc/63/54/62/569635462.db2.gz	YEMJAVYBIXUUHE-MRXNPFEDSA-N	-1	1	454.464	3.249	50	30		JGEAMM
Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c2)ccc1=O	ZINC000085652046	569713843	/nfs/dbraw/zinc/71/38/43/569713843.db2.gz	FSOYRJRVIGNDJJ-UHFFFAOYSA-N	-1	1	461.503	3.485	50	30		JGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000100951323	569777779	/nfs/dbraw/zinc/77/77/79/569777779.db2.gz	FWNFDQGECQOHHV-QGZVFWFLSA-N	-1	1	453.520	3.395	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000102896763	130378690	/nfs/dbraw/zinc/37/86/90/130378690.db2.gz	SNZHKOROBMRVJP-JBCNATCCSA-N	-1	1	466.490	3.408	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000102896763	130378693	/nfs/dbraw/zinc/37/86/93/130378693.db2.gz	SNZHKOROBMRVJP-JBCNATCCSA-N	-1	1	466.490	3.408	50	30		JGEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000009260162	518827013	/nfs/dbraw/zinc/82/70/13/518827013.db2.gz	KKSADZIAXMJMSH-LFIBNONCSA-N	-1	1	455.923	3.170	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)C1	ZINC000021710491	518929191	/nfs/dbraw/zinc/92/91/91/518929191.db2.gz	ASNCKIIKVBYCKP-FQEVSTJZSA-N	-1	1	455.580	3.259	50	30		JGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000009242866	522171737	/nfs/dbraw/zinc/17/17/37/522171737.db2.gz	MOBVBDNXBXHPKW-IBGZPJMESA-N	-1	1	478.482	3.484	50	30		JGEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000023424284	525616267	/nfs/dbraw/zinc/61/62/67/525616267.db2.gz	MLOVXWAKACPJSM-KGENOOAVSA-N	-1	1	474.520	3.016	50	30		JGEAMM
CSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000006143602	526208067	/nfs/dbraw/zinc/20/80/67/526208067.db2.gz	BLHWVKKJYTWOHT-CYBMUJFWSA-N	-1	1	456.480	3.329	50	30		JGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000009424580	555189214	/nfs/dbraw/zinc/18/92/14/555189214.db2.gz	WVBUHONLZDKKQM-IBGZPJMESA-N	-1	1	493.497	3.187	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000020309871	555767657	/nfs/dbraw/zinc/76/76/57/555767657.db2.gz	SBPNKFIEFWSXSY-JOCHJYFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1N/C=C1/C(=O)[N-]C(=S)NC1=O	ZINC000100289866	569756827	/nfs/dbraw/zinc/75/68/27/569756827.db2.gz	FURYTCKFCGFMPU-IFRROFPPSA-N	-1	1	480.365	3.204	50	30		JGEAMM
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1N/C=C1\C(=O)[N-]C(=S)NC1=O	ZINC000100289866	569756828	/nfs/dbraw/zinc/75/68/28/569756828.db2.gz	FURYTCKFCGFMPU-IFRROFPPSA-N	-1	1	480.365	3.204	50	30		JGEAMM
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000100289866	569756829	/nfs/dbraw/zinc/75/68/29/569756829.db2.gz	FURYTCKFCGFMPU-IFRROFPPSA-N	-1	1	480.365	3.204	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000100428071	569760566	/nfs/dbraw/zinc/76/05/66/569760566.db2.gz	YLJCJVKHAIOQFD-NHFXJNLRSA-N	-1	1	452.463	3.099	50	30		JGEAMM
COC(=O)c1ccccc1NC(=O)C([O-])=CC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1	ZINC000100721779	569767775	/nfs/dbraw/zinc/76/77/75/569767775.db2.gz	OYHKTBVLVWDUSY-UHFFFAOYSA-N	-1	1	496.475	3.472	50	30		JGEAMM
Cc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000103612700	569836687	/nfs/dbraw/zinc/83/66/87/569836687.db2.gz	OCKLEYNXVOIFDH-LFVOPCPISA-N	-1	1	454.529	3.330	50	30		JGEAMM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000103612700	569836688	/nfs/dbraw/zinc/83/66/88/569836688.db2.gz	OCKLEYNXVOIFDH-LFVOPCPISA-N	-1	1	454.529	3.330	50	30		JGEAMM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]CCc3ccc(F)cc3)c2C(=O)OC)C1	ZINC000014997203	518694496	/nfs/dbraw/zinc/69/44/96/518694496.db2.gz	NXEKDIDQJCMKGC-UHFFFAOYSA-N	-1	1	480.583	3.046	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000021712976	518929037	/nfs/dbraw/zinc/92/90/37/518929037.db2.gz	FMSIILYVXCIUOG-HSZRJFAPSA-N	-1	1	467.591	3.273	50	30		JGEAMM
O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000022409786	527371157	/nfs/dbraw/zinc/37/11/57/527371157.db2.gz	JZVHMPHMJXRKNX-UHFFFAOYSA-N	-1	1	498.586	3.210	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)NC1=O	ZINC000012466228	527637059	/nfs/dbraw/zinc/63/70/59/527637059.db2.gz	XVTHQBIOHKUHPS-PPAWOMOGSA-N	-1	1	462.325	3.424	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)NC1=O	ZINC000016115066	527637497	/nfs/dbraw/zinc/63/74/97/527637497.db2.gz	QSDFGMMXKGCQQS-BPGOPIFBSA-N	-1	1	467.257	3.014	50	30		JGEAMM
Cc1nn(CSc2nnc(C)n2/N=C/c2cc([O-])ccc2Br)c(C)c1[N+](=O)[O-]	ZINC000002733194	554317413	/nfs/dbraw/zinc/31/74/13/554317413.db2.gz	USOKNPGPWBRLAN-CNHKJKLMSA-N	-1	1	466.321	3.408	50	30		JGEAMM
O=C1Nc2ccccc2C1=N[N-]c1nc2nonc2nc1Nc1ccc(Br)cc1	ZINC000008816695	554698771	/nfs/dbraw/zinc/69/87/71/554698771.db2.gz	HRXZWOPUBUGJGC-UHFFFAOYSA-N	-1	1	451.244	3.287	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)NC1=O	ZINC000013940956	555652178	/nfs/dbraw/zinc/65/21/78/555652178.db2.gz	JREFKBGMNPOGND-CTJICSLTSA-N	-1	1	462.325	3.424	50	30		JGEAMM
COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020310441	555768799	/nfs/dbraw/zinc/76/87/99/555768799.db2.gz	RLWAOQLYWRHBTJ-HSZRJFAPSA-N	-1	1	466.534	3.010	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1	ZINC000020310673	555769221	/nfs/dbraw/zinc/76/92/21/555769221.db2.gz	WTBDEXMZQPJWGV-QFIPXVFZSA-N	-1	1	454.498	3.140	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1	ZINC000020310670	555769353	/nfs/dbraw/zinc/76/93/53/555769353.db2.gz	WTBDEXMZQPJWGV-JOCHJYFZSA-N	-1	1	454.498	3.140	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccccc2)cc1	ZINC000016956613	556187112	/nfs/dbraw/zinc/18/71/12/556187112.db2.gz	JITMRFAVZJMGIC-OAQYLSRUSA-N	-1	1	464.499	3.126	50	30		JGEAMM
C=CCN1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)[N-]C1=S	ZINC000017180642	556234778	/nfs/dbraw/zinc/23/47/78/556234778.db2.gz	MXFRNFOGDDGKHB-PDGQHHTCSA-N	-1	1	461.499	3.144	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)CN(C)S(=O)(=O)c3ccc(C)c(C)c3)n2)n[n-]c1=S	ZINC000026095417	556240928	/nfs/dbraw/zinc/24/09/28/556240928.db2.gz	VQZVTUJZLORDDE-UHFFFAOYSA-N	-1	1	492.652	3.050	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2F)cc1	ZINC000102896761	130378642	/nfs/dbraw/zinc/37/86/42/130378642.db2.gz	SNZHKOROBMRVJP-MRJHHRETSA-N	-1	1	466.490	3.408	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2F)cc1	ZINC000102896761	130378647	/nfs/dbraw/zinc/37/86/47/130378647.db2.gz	SNZHKOROBMRVJP-MRJHHRETSA-N	-1	1	466.490	3.408	50	30		JGEAMM
C#Cc1cccc([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C#C)c3)c(OC)cc2F)c1	ZINC000048289500	518366108	/nfs/dbraw/zinc/36/61/08/518366108.db2.gz	ZSPCBZCYNHWWHH-UHFFFAOYSA-N	-1	1	484.530	3.399	50	30		JGEAMM
COc1cc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000022607073	522968521	/nfs/dbraw/zinc/96/85/21/522968521.db2.gz	CTZDEDRTXVYHPU-LJQANCHMSA-N	-1	1	466.538	3.351	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2F)cc1	ZINC000022185116	523564418	/nfs/dbraw/zinc/56/44/18/523564418.db2.gz	PDXKVWDNEQBJJW-NRFANRHFSA-N	-1	1	482.489	3.265	50	30		JGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O	ZINC000016737395	523573175	/nfs/dbraw/zinc/57/31/75/523573175.db2.gz	LPZXDIOQJZCGRU-LJQANCHMSA-N	-1	1	483.502	3.361	50	30		JGEAMM
COc1cc(/C=N/c2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(Br)c1[O-]	ZINC000002300896	554139393	/nfs/dbraw/zinc/13/93/93/554139393.db2.gz	ITSFOOXRJNPDBU-SSDVNMTOSA-N	-1	1	460.284	3.104	50	30		JGEAMM
O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2	ZINC000008868871	554762709	/nfs/dbraw/zinc/76/27/09/554762709.db2.gz	CGISLAWXNYSJGQ-UHFFFAOYSA-N	-1	1	462.281	3.450	50	30		JGEAMM
N#Cc1ccc(COC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1	ZINC000009444373	555217578	/nfs/dbraw/zinc/21/75/78/555217578.db2.gz	RYWWVVSUYKAMGA-UHFFFAOYSA-N	-1	1	453.432	3.330	50	30		JGEAMM
COc1cccc([C@@H]2c3c(=O)[n-]c(SCCN4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000020133649	555657941	/nfs/dbraw/zinc/65/79/41/555657941.db2.gz	XHZUATLIQGKLEZ-FQEVSTJZSA-N	-1	1	496.633	3.403	50	30		JGEAMM
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020310201	555768105	/nfs/dbraw/zinc/76/81/05/555768105.db2.gz	VFELLOXCGWUSJP-QFIPXVFZSA-N	-1	1	454.523	3.330	50	30		JGEAMM
CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC000022013486	555861893	/nfs/dbraw/zinc/86/18/93/555861893.db2.gz	MUCQULIDZJXHQE-GOSISDBHSA-N	-1	1	484.361	3.350	50	30		JGEAMM
CCOC(=O)c1c2c(sc1NC(=O)N=S(=O)([O-])c1ccc(C)cc1)CN(CC)CC2	ZINC000023882272	556098471	/nfs/dbraw/zinc/09/84/71/556098471.db2.gz	LLKPYOODKZUEBY-UHFFFAOYSA-N	-1	1	451.570	3.326	50	30		JGEAMM
CCOC(=O)c1c2c(sc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)CN(CC)CC2	ZINC000023882272	556098473	/nfs/dbraw/zinc/09/84/73/556098473.db2.gz	LLKPYOODKZUEBY-UHFFFAOYSA-N	-1	1	451.570	3.326	50	30		JGEAMM
COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C	ZINC000026254985	556251323	/nfs/dbraw/zinc/25/13/23/556251323.db2.gz	HUEHGLUPXSRBGW-JQWIXIFHSA-N	-1	1	461.466	3.325	50	30		JGEAMM
C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1	ZINC000100951320	569777756	/nfs/dbraw/zinc/77/77/56/569777756.db2.gz	FWNFDQGECQOHHV-KRWDZBQOSA-N	-1	1	453.520	3.395	50	30		JGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102657461	130233478	/nfs/dbraw/zinc/23/34/78/130233478.db2.gz	INFAYCORMQGNAC-LFVOPCPISA-N	-1	1	478.482	3.327	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102890999	130372221	/nfs/dbraw/zinc/37/22/21/130372221.db2.gz	SVXSAELOJLAKKQ-YDJIHCHBSA-N	-1	1	452.463	3.099	50	30		JGEAMM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3cccc(F)c3)c2C(=O)OC)C1	ZINC000014981872	518695185	/nfs/dbraw/zinc/69/51/85/518695185.db2.gz	DMQYQVKDRGRJMS-UHFFFAOYSA-N	-1	1	466.556	3.003	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1	ZINC000021713003	518919117	/nfs/dbraw/zinc/91/91/17/518919117.db2.gz	GDEDIIRACQZAPC-NRFANRHFSA-N	-1	1	455.580	3.319	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000021712972	518919829	/nfs/dbraw/zinc/91/98/29/518919829.db2.gz	FMSIILYVXCIUOG-QHCPKHFHSA-N	-1	1	467.591	3.273	50	30		JGEAMM
CCOc1cc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)ccc1OC(=O)c1ccc(C)cc1	ZINC000002910804	520639978	/nfs/dbraw/zinc/63/99/78/520639978.db2.gz	WMSSPNGHKUXSHC-BYWZACNXSA-N	-1	1	455.492	3.009	50	30		JGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(Br)cc1	ZINC000016115360	521988265	/nfs/dbraw/zinc/98/82/65/521988265.db2.gz	NIVMXVMNPCRKJG-KQFRHJRUSA-N	-1	1	492.351	3.433	50	30		JGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000009243083	522162601	/nfs/dbraw/zinc/16/26/01/522162601.db2.gz	MOBVBDNXBXHPKW-LJQANCHMSA-N	-1	1	478.482	3.484	50	30		JGEAMM
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1	ZINC000009985336	524874273	/nfs/dbraw/zinc/87/42/73/524874273.db2.gz	HZVJKUSFBLVJRB-QFIPXVFZSA-N	-1	1	461.515	3.146	50	30		JGEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000022607063	525276476	/nfs/dbraw/zinc/27/64/76/525276476.db2.gz	UODLIDGEXIKSFU-SFHVURJKSA-N	-1	1	466.538	3.351	50	30		JGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc2)cc1	ZINC000010734952	525299389	/nfs/dbraw/zinc/29/93/89/525299389.db2.gz	RLFRYVXIJLFXJY-SBUREZEXSA-N	-1	1	457.552	3.396	50	30		JGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000009329524	525389543	/nfs/dbraw/zinc/38/95/43/525389543.db2.gz	NVMZVZURWFNFSY-FQEVSTJZSA-N	-1	1	495.513	3.418	50	30		JGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(=O)N2CCCC2)CS3)c1	ZINC000033290378	526724347	/nfs/dbraw/zinc/72/43/47/526724347.db2.gz	UINQRNZQSZBYGC-INIZCTEOSA-N	-1	1	470.576	3.032	50	30		JGEAMM
O=C([O-])CC1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccccc2)NC1=O	ZINC000004399088	527637937	/nfs/dbraw/zinc/63/79/37/527637937.db2.gz	SDAWUTURMGHPMP-PPAWOMOGSA-N	-1	1	462.325	3.424	50	30		JGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(Br)cc1	ZINC000006624792	554556348	/nfs/dbraw/zinc/55/63/48/554556348.db2.gz	NIVMXVMNPCRKJG-MMXTWKRJSA-N	-1	1	492.351	3.433	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009456034	555225957	/nfs/dbraw/zinc/22/59/57/555225957.db2.gz	XHXAFWUJUVYSLH-GOSISDBHSA-N	-1	1	480.458	3.309	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000009470977	555254286	/nfs/dbraw/zinc/25/42/86/555254286.db2.gz	XHXAFWUJUVYSLH-SFHVURJKSA-N	-1	1	480.458	3.309	50	30		JGEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(SCCN4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020181723	555689200	/nfs/dbraw/zinc/68/92/00/555689200.db2.gz	NKDUGNFTHYXYAB-HXUWFJFHSA-N	-1	1	496.633	3.403	50	30		JGEAMM
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020310197	555768018	/nfs/dbraw/zinc/76/80/18/555768018.db2.gz	KKSPZTRXTGUBKQ-JOCHJYFZSA-N	-1	1	454.523	3.330	50	30		JGEAMM
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)c1	ZINC000020310195	555768062	/nfs/dbraw/zinc/76/80/62/555768062.db2.gz	KKSPZTRXTGUBKQ-QFIPXVFZSA-N	-1	1	454.523	3.330	50	30		JGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1ccc(Br)cc1	ZINC000006674409	194434344	/nfs/dbraw/zinc/43/43/44/194434344.db2.gz	NZLOSWGPXWXARY-CPHRPENTSA-N	-1	1	492.351	3.433	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102595125	130219712	/nfs/dbraw/zinc/21/97/12/130219712.db2.gz	AZRNGYMLGLJAFM-SELCWUDQSA-N	-1	1	480.458	3.152	50	30		JGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102604726	130222015	/nfs/dbraw/zinc/22/20/15/130222015.db2.gz	FWGIEQAYCXSQSJ-NHFXJNLRSA-N	-1	1	495.513	3.261	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102888633	130369484	/nfs/dbraw/zinc/36/94/84/130369484.db2.gz	MDSSSIOTNBRZAG-MRJHHRETSA-N	-1	1	493.497	3.177	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102888633	130369488	/nfs/dbraw/zinc/36/94/88/130369488.db2.gz	MDSSSIOTNBRZAG-MRJHHRETSA-N	-1	1	493.497	3.177	50	30		JGEAMM
C=C(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1	ZINC000012389910	518647368	/nfs/dbraw/zinc/64/73/68/518647368.db2.gz	NRZXEDJQCUOYIU-HXUWFJFHSA-N	-1	1	455.518	3.430	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)C1	ZINC000021710488	518919854	/nfs/dbraw/zinc/91/98/54/518919854.db2.gz	ASNCKIIKVBYCKP-HXUWFJFHSA-N	-1	1	455.580	3.259	50	30		JGEAMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)c1cccc(C(F)(F)F)c1)C2	ZINC000014977535	518959791	/nfs/dbraw/zinc/95/97/91/518959791.db2.gz	WZDCEMCZPWCTNN-UHFFFAOYSA-N	-1	1	488.509	3.216	50	30		JGEAMM
COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1OCc1ccc(Br)cc1	ZINC000012463394	523441480	/nfs/dbraw/zinc/44/14/80/523441480.db2.gz	RTVWIGDCHGSSQE-MMXTWKRJSA-N	-1	1	492.351	3.433	50	30		JGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc2)cc1	ZINC000010734955	525299783	/nfs/dbraw/zinc/29/97/83/525299783.db2.gz	RLFRYVXIJLFXJY-UZUQRXQVSA-N	-1	1	457.552	3.396	50	30		JGEAMM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc(C#Cc2ccccc2)cc1	ZINC000009885629	527130295	/nfs/dbraw/zinc/13/02/95/527130295.db2.gz	ALBCMBOXHAFBAR-UHFFFAOYSA-N	-1	1	462.527	3.065	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102729918	536568970	/nfs/dbraw/zinc/56/89/70/536568970.db2.gz	ZYMITXVWBHLENY-HVESIFNPSA-N	-1	1	452.448	3.390	50	30		JGEAMM
CCOC(=O)c1ccc(NC(=O)Cc2sc(NN=Cc3c[nH]c4ccccc34)nc2[O-])cc1	ZINC000008830446	554720058	/nfs/dbraw/zinc/72/00/58/554720058.db2.gz	SRENXLBACZJWCD-KTCKORJGSA-N	-1	1	463.519	3.295	50	30		JGEAMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@H]2c1cccs1	ZINC000020181716	555689308	/nfs/dbraw/zinc/68/93/08/555689308.db2.gz	DSAYTXRZFMFOAN-SFHVURJKSA-N	-1	1	472.636	3.456	50	30		JGEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC(C)C)c2)c([O-])c1	ZINC000020309660	555766830	/nfs/dbraw/zinc/76/68/30/555766830.db2.gz	PEBHSZNOSRGHCE-JOCHJYFZSA-N	-1	1	454.523	3.328	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)c1	ZINC000020310456	555768819	/nfs/dbraw/zinc/76/88/19/555768819.db2.gz	PHKCIXYCHLNUMC-XMMPIXPASA-N	-1	1	480.561	3.398	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000017208787	556241444	/nfs/dbraw/zinc/24/14/44/556241444.db2.gz	WPBLSQQALOHBTD-FQEVSTJZSA-N	-1	1	452.463	3.256	50	30		JGEAMM
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@H]2c2ccc(C(=O)[O-])cc2)c1	ZINC000062621093	569613515	/nfs/dbraw/zinc/61/35/15/569613515.db2.gz	YBQQKSUZOAPMFL-LJQANCHMSA-N	-1	1	481.457	3.083	50	30		JGEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000102605850	130221986	/nfs/dbraw/zinc/22/19/86/130221986.db2.gz	WRXPWTFDAXDIPE-LFVOPCPISA-N	-1	1	465.487	3.253	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1	ZINC000102867112	130340026	/nfs/dbraw/zinc/34/00/26/130340026.db2.gz	HOBNBHJRNKFESG-NHFXJNLRSA-N	-1	1	497.460	3.008	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1	ZINC000021710449	518918434	/nfs/dbraw/zinc/91/84/34/518918434.db2.gz	OZIWCZRNYPYSMB-QGZVFWFLSA-N	-1	1	461.971	3.295	50	30		JGEAMM
C=CCc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OCC)c(OC)c1	ZINC000009553757	519137240	/nfs/dbraw/zinc/13/72/40/519137240.db2.gz	SRJZNOIDSRGDDX-UHFFFAOYSA-N	-1	1	482.558	3.195	50	30		JGEAMM
O=c1[n-]c(=O)n(-c2ccccc2F)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccncc1)N2	ZINC000015304804	527434878	/nfs/dbraw/zinc/43/48/78/527434878.db2.gz	GNAQVDNIRPOBEE-UHFFFAOYSA-N	-1	1	473.308	3.252	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O	ZINC000008763335	554663254	/nfs/dbraw/zinc/66/32/54/554663254.db2.gz	OXHAYXGMEREAEC-BCUFPXHISA-N	-1	1	462.871	3.223	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009330110	555100611	/nfs/dbraw/zinc/10/06/11/555100611.db2.gz	QZRBEERQGPBKGB-SFHVURJKSA-N	-1	1	480.458	3.309	50	30		JGEAMM
COc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)N(CCC#N)c3ccccc3)n2)cc1	ZINC000009641223	555351609	/nfs/dbraw/zinc/35/16/09/555351609.db2.gz	KGJKGWKHJISEED-UHFFFAOYSA-N	-1	1	460.519	3.132	50	30		JGEAMM
N#CC1(NC(=O)COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCCCC1	ZINC000009591734	555405964	/nfs/dbraw/zinc/40/59/64/555405964.db2.gz	QBDIWPQNYXLICX-UHFFFAOYSA-N	-1	1	459.499	3.126	50	30		JGEAMM
COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020309163	555765578	/nfs/dbraw/zinc/76/55/78/555765578.db2.gz	XQRHEGDCKBUTPO-FQEVSTJZSA-N	-1	1	460.914	3.203	50	30		JGEAMM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC(C)C)c2)c([O-])c1	ZINC000020309662	555767332	/nfs/dbraw/zinc/76/73/32/555767332.db2.gz	PEBHSZNOSRGHCE-QFIPXVFZSA-N	-1	1	454.523	3.328	50	30		JGEAMM
CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)Nc1ccc(C#N)cc1	ZINC000022013489	555862059	/nfs/dbraw/zinc/86/20/59/555862059.db2.gz	MUCQULIDZJXHQE-SFHVURJKSA-N	-1	1	484.361	3.350	50	30		JGEAMM
O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000023982367	556109757	/nfs/dbraw/zinc/10/97/57/556109757.db2.gz	OGNJNUGJWYGSII-UHFFFAOYSA-N	-1	1	498.586	3.210	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)n2)n[n-]c1=S	ZINC000024778326	556155487	/nfs/dbraw/zinc/15/54/87/556155487.db2.gz	BNQJQWSWNHRUGT-UHFFFAOYSA-N	-1	1	461.569	3.381	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)[C@@H](C)NS(=O)(=O)C=Cc3ccccc3)n2)n[n-]c1=S	ZINC000032787057	556494504	/nfs/dbraw/zinc/49/45/04/556494504.db2.gz	JMUURYBTMSELFP-CFRMROPGSA-N	-1	1	490.636	3.091	50	30		JGEAMM
CN(Cc1cc(C#N)ccc1F)C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000032914659	556538794	/nfs/dbraw/zinc/53/87/94/556538794.db2.gz	OTXZVYWZXAMQRX-UHFFFAOYSA-N	-1	1	484.465	3.384	50	30		JGEAMM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000065318957	569673409	/nfs/dbraw/zinc/67/34/09/569673409.db2.gz	WEAQBGXZRLONBL-UHFFFAOYSA-N	-1	1	451.508	3.344	50	30		JGEAMM
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217854982	569881919	/nfs/dbraw/zinc/88/19/19/569881919.db2.gz	QFWWLGYKBGTCAF-INIZCTEOSA-N	-1	1	454.431	3.167	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102601357	130220730	/nfs/dbraw/zinc/22/07/30/130220730.db2.gz	QQSBHZYGKIUVGV-SELCWUDQSA-N	-1	1	480.458	3.152	50	30		JGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000102657465	130233430	/nfs/dbraw/zinc/23/34/30/130233430.db2.gz	INFAYCORMQGNAC-WOOAAIBNSA-N	-1	1	478.482	3.327	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102890997	130372186	/nfs/dbraw/zinc/37/21/86/130372186.db2.gz	SVXSAELOJLAKKQ-NHFXJNLRSA-N	-1	1	452.463	3.099	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000021712921	518919016	/nfs/dbraw/zinc/91/90/16/518919016.db2.gz	OFMAZPFELDIIJZ-IBGZPJMESA-N	-1	1	492.395	3.157	50	30		JGEAMM
C=CCOc1cccc(C(=O)N2CCc3c(sc(S(=O)(=O)[N-]CC(C)C)c3C(=O)OC)C2)c1	ZINC000014963802	519053753	/nfs/dbraw/zinc/05/37/53/519053753.db2.gz	NLEFLZCBMZWYTO-UHFFFAOYSA-N	-1	1	492.619	3.232	50	30		JGEAMM
COc1cc(/C=C/C(=O)OCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC#N	ZINC000009704341	521933782	/nfs/dbraw/zinc/93/37/82/521933782.db2.gz	RKRGCQPLZSOUCV-WUXMJOGZSA-N	-1	1	450.491	3.408	50	30		JGEAMM
COc1cc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000022607075	522934174	/nfs/dbraw/zinc/93/41/74/522934174.db2.gz	CTZDEDRTXVYHPU-IBGZPJMESA-N	-1	1	466.538	3.351	50	30		JGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000009329523	525224493	/nfs/dbraw/zinc/22/44/93/525224493.db2.gz	NVMZVZURWFNFSY-HXUWFJFHSA-N	-1	1	495.513	3.418	50	30		JGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc2)cc1	ZINC000010734953	525299667	/nfs/dbraw/zinc/29/96/67/525299667.db2.gz	RLFRYVXIJLFXJY-HXOBKFHXSA-N	-1	1	457.552	3.396	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102733738	536568728	/nfs/dbraw/zinc/56/87/28/536568728.db2.gz	QOVASNGETXUNTC-HVESIFNPSA-N	-1	1	452.448	3.390	50	30		JGEAMM
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)[N-]C(=O)NC3CCC(C)CC3)cc2)C1=O	ZINC000000537791	553711114	/nfs/dbraw/zinc/71/11/14/553711114.db2.gz	WIGIZIANZCJQQY-UHFFFAOYSA-N	-1	1	490.626	3.278	50	30	fda	JGEAMM
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)N=C([O-])NC3CCC(C)CC3)cc2)C1=O	ZINC000000537791	553711115	/nfs/dbraw/zinc/71/11/15/553711115.db2.gz	WIGIZIANZCJQQY-UHFFFAOYSA-N	-1	1	490.626	3.278	50	30	fda	JGEAMM
C=CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)C(=O)[N-]C1=S	ZINC000001153209	553917494	/nfs/dbraw/zinc/91/74/94/553917494.db2.gz	JFCYQAOGXDVVMY-SFQUDFHCSA-N	-1	1	451.504	3.366	50	30		JGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000009424579	555189206	/nfs/dbraw/zinc/18/92/06/555189206.db2.gz	WVBUHONLZDKKQM-LJQANCHMSA-N	-1	1	493.497	3.187	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1C	ZINC000020309853	555767767	/nfs/dbraw/zinc/76/77/67/555767767.db2.gz	WQXFYBHWEZVVFH-JOCHJYFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccccc2)cc1	ZINC000016956614	556187165	/nfs/dbraw/zinc/18/71/65/556187165.db2.gz	JITMRFAVZJMGIC-NRFANRHFSA-N	-1	1	464.499	3.126	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017124893	556220685	/nfs/dbraw/zinc/22/06/85/556220685.db2.gz	NLHVWNCOYLOMGW-HXUWFJFHSA-N	-1	1	479.470	3.025	50	30		JGEAMM
N#Cc1cccc(NC(=O)COC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)c1	ZINC000003235152	194246871	/nfs/dbraw/zinc/24/68/71/194246871.db2.gz	WGLKAZHAYVQVHC-UHFFFAOYSA-N	-1	1	471.441	3.433	50	30		JGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000102603596	130221428	/nfs/dbraw/zinc/22/14/28/130221428.db2.gz	BDYHSYJPPJXOJA-WOOAAIBNSA-N	-1	1	493.497	3.031	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(F)cc2)s1	ZINC000102604432	130221698	/nfs/dbraw/zinc/22/16/98/130221698.db2.gz	GRMISORWWOQUKE-GHNGSUTGSA-N	-1	1	453.451	3.383	50	30		JGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102714361	130260902	/nfs/dbraw/zinc/26/09/02/130260902.db2.gz	IDLMYUNGSMMEKO-JBCNATCCSA-N	-1	1	478.457	3.413	50	30		JGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccco2)nc1C	ZINC000102860648	130331602	/nfs/dbraw/zinc/33/16/02/130331602.db2.gz	ISTARRFRYKFZAR-UYTDBDHRSA-N	-1	1	454.460	3.466	50	30		JGEAMM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)[N-]C1=S	ZINC000012343705	518832813	/nfs/dbraw/zinc/83/28/13/518832813.db2.gz	DOFFYCGQSHVQIL-LCYFTJDESA-N	-1	1	462.281	3.430	50	30		JGEAMM
C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000009311400	519124752	/nfs/dbraw/zinc/12/47/52/519124752.db2.gz	QHSWYOXPLXYCON-WQRHYEAKSA-N	-1	1	466.515	3.027	50	30		JGEAMM
C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000009425623	519129705	/nfs/dbraw/zinc/12/97/05/519129705.db2.gz	MOHODFSYDLVREG-UHFFFAOYSA-N	-1	1	467.503	3.215	50	30		JGEAMM
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1	ZINC000009985344	524873365	/nfs/dbraw/zinc/87/33/65/524873365.db2.gz	HZVJKUSFBLVJRB-JOCHJYFZSA-N	-1	1	461.515	3.146	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1	ZINC000009374092	527315362	/nfs/dbraw/zinc/31/53/62/527315362.db2.gz	KIWDUKNIFIJHKW-FQEVSTJZSA-N	-1	1	497.460	3.164	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cc(Br)ccc2OCc2ccccc2)NC1=O	ZINC000009762827	527631171	/nfs/dbraw/zinc/63/11/71/527631171.db2.gz	SDAWUTURMGHPMP-CTJICSLTSA-N	-1	1	462.325	3.424	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)NC1=O	ZINC000001159086	527637924	/nfs/dbraw/zinc/63/79/24/527637924.db2.gz	JREFKBGMNPOGND-PPAWOMOGSA-N	-1	1	462.325	3.424	50	30		JGEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3cccnc3)c(=O)c2c1	ZINC000006296448	554527736	/nfs/dbraw/zinc/52/77/36/554527736.db2.gz	KXTAVEMBKZOHLZ-UHFFFAOYSA-N	-1	1	474.542	3.234	50	30		JGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(Br)c1OCc1ccccc1	ZINC000006603462	554556407	/nfs/dbraw/zinc/55/64/07/554556407.db2.gz	IEKURFJLVHJBRJ-YJCKXXIQSA-N	-1	1	492.351	3.433	50	30		JGEAMM
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000008968534	554842945	/nfs/dbraw/zinc/84/29/45/554842945.db2.gz	WOWZTBZRKXRMJR-LJQANCHMSA-N	-1	1	465.487	3.409	50	30		JGEAMM
O=c1[n-]c(=O)n(-c2ccccc2F)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2	ZINC000019944679	555562737	/nfs/dbraw/zinc/56/27/37/555562737.db2.gz	QWORYGHUGWRASO-UHFFFAOYSA-N	-1	1	462.281	3.450	50	30		JGEAMM
COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)c(Br)c(Br)c1[O-]	ZINC000013915116	555647000	/nfs/dbraw/zinc/64/70/00/555647000.db2.gz	PBPDNPCCDWGLNZ-GFCCVEGCSA-N	-1	1	450.152	3.308	50	30		JGEAMM
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020310204	555768384	/nfs/dbraw/zinc/76/83/84/555768384.db2.gz	VFELLOXCGWUSJP-JOCHJYFZSA-N	-1	1	454.523	3.330	50	30		JGEAMM
COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000020310448	555768836	/nfs/dbraw/zinc/76/88/36/555768836.db2.gz	JDOIYKXGWXRSRM-XMMPIXPASA-N	-1	1	496.560	3.018	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)CCCN(C)S(=O)(=O)c3cccs3)n2)n[n-]c1=S	ZINC000023041923	556001402	/nfs/dbraw/zinc/00/14/02/556001402.db2.gz	HGFMVLWDMCUUSG-UHFFFAOYSA-N	-1	1	498.681	3.275	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017207370	556241082	/nfs/dbraw/zinc/24/10/82/556241082.db2.gz	CTBPRHSKPWMPRH-NRFANRHFSA-N	-1	1	493.497	3.334	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017207370	556241083	/nfs/dbraw/zinc/24/10/83/556241083.db2.gz	CTBPRHSKPWMPRH-NRFANRHFSA-N	-1	1	493.497	3.334	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017207368	556241092	/nfs/dbraw/zinc/24/10/92/556241092.db2.gz	CTBPRHSKPWMPRH-OAQYLSRUSA-N	-1	1	493.497	3.334	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017207368	556241093	/nfs/dbraw/zinc/24/10/93/556241093.db2.gz	CTBPRHSKPWMPRH-OAQYLSRUSA-N	-1	1	493.497	3.334	50	30		JGEAMM
CCS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000027748965	556305687	/nfs/dbraw/zinc/30/56/87/556305687.db2.gz	ZJBOJEVHEWRMNB-UHFFFAOYSA-N	-1	1	455.359	3.097	50	30		JGEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1	ZINC000006296453	569588795	/nfs/dbraw/zinc/58/87/95/569588795.db2.gz	ZVRJDDQMFPHGAC-UHFFFAOYSA-N	-1	1	463.515	3.432	50	30		JGEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3ccco3)c(=O)c2c1	ZINC000006296453	569588796	/nfs/dbraw/zinc/58/87/96/569588796.db2.gz	ZVRJDDQMFPHGAC-UHFFFAOYSA-N	-1	1	463.515	3.432	50	30		JGEAMM
N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)c1	ZINC000095841920	569729050	/nfs/dbraw/zinc/72/90/50/569729050.db2.gz	SAONDKOUPVKJGN-UHFFFAOYSA-N	-1	1	470.576	3.138	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000100428064	569760496	/nfs/dbraw/zinc/76/04/96/569760496.db2.gz	YLJCJVKHAIOQFD-YDJIHCHBSA-N	-1	1	452.463	3.099	50	30		JGEAMM
COc1ccc(Br)cc1C=NNc1nc2c(c([O-])nc(=O)n2C)n1Cc1ccc(C)cc1	ZINC000254607220	570106086	/nfs/dbraw/zinc/10/60/86/570106086.db2.gz	RLFTWCJDXFJZGZ-UHFFFAOYSA-N	-1	1	497.353	3.409	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2F)s1	ZINC000102570810	130213496	/nfs/dbraw/zinc/21/34/96/130213496.db2.gz	PHBGWGDVSHHLSA-SELCWUDQSA-N	-1	1	453.451	3.383	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1	ZINC000102595129	130219628	/nfs/dbraw/zinc/21/96/28/130219628.db2.gz	AZRNGYMLGLJAFM-GHNGSUTGSA-N	-1	1	480.458	3.152	50	30		JGEAMM
CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c1)NC(=O)CCC2=O	ZINC000033276674	522707546	/nfs/dbraw/zinc/70/75/46/522707546.db2.gz	XYZRMWIHJIJEPP-UHFFFAOYSA-N	-1	1	463.519	3.466	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2F)cc1C	ZINC000020309843	525308418	/nfs/dbraw/zinc/30/84/18/525308418.db2.gz	QVKLKMCRSHESCM-QFIPXVFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000008968536	554842925	/nfs/dbraw/zinc/84/29/25/554842925.db2.gz	WOWZTBZRKXRMJR-IBGZPJMESA-N	-1	1	465.487	3.409	50	30		JGEAMM
Cc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000009008378	554862535	/nfs/dbraw/zinc/86/25/35/554862535.db2.gz	DFYCAJRZKQIZOY-IBGZPJMESA-N	-1	1	454.529	3.487	50	30		JGEAMM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000009008378	554862537	/nfs/dbraw/zinc/86/25/37/554862537.db2.gz	DFYCAJRZKQIZOY-IBGZPJMESA-N	-1	1	454.529	3.487	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000009330109	555100595	/nfs/dbraw/zinc/10/05/95/555100595.db2.gz	QZRBEERQGPBKGB-GOSISDBHSA-N	-1	1	480.458	3.309	50	30		JGEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(SCCN4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020181725	555689137	/nfs/dbraw/zinc/68/91/37/555689137.db2.gz	NKDUGNFTHYXYAB-FQEVSTJZSA-N	-1	1	496.633	3.403	50	30		JGEAMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCCN3CCOCC3)[n-]c(=O)c1[C@@H]2c1cccs1	ZINC000020181714	555689300	/nfs/dbraw/zinc/68/93/00/555689300.db2.gz	DSAYTXRZFMFOAN-GOSISDBHSA-N	-1	1	472.636	3.456	50	30		JGEAMM
COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020309166	555765629	/nfs/dbraw/zinc/76/56/29/555765629.db2.gz	XQRHEGDCKBUTPO-HXUWFJFHSA-N	-1	1	460.914	3.203	50	30		JGEAMM
Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c1	ZINC000020309308	555766062	/nfs/dbraw/zinc/76/60/62/555766062.db2.gz	FACZRXFGCYMRET-JOCHJYFZSA-N	-1	1	454.498	3.140	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1C	ZINC000020309855	555767624	/nfs/dbraw/zinc/76/76/24/555767624.db2.gz	WQXFYBHWEZVVFH-QFIPXVFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020310402	555768888	/nfs/dbraw/zinc/76/88/88/555768888.db2.gz	UROZOAFKSMCLBO-DEOSSOPVSA-N	-1	1	480.561	3.400	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)n2)n[n-]c1=S	ZINC000023041884	556001436	/nfs/dbraw/zinc/00/14/36/556001436.db2.gz	MBPVHXGXVBOLQO-UHFFFAOYSA-N	-1	1	490.636	3.138	50	30		JGEAMM
C=CCn1c(Cc2csc(NC(=O)CN3C(=O)CSc4ccccc43)n2)n[n-]c1=S	ZINC000023041878	556001462	/nfs/dbraw/zinc/00/14/62/556001462.db2.gz	HZDGELXAMUSTFK-UHFFFAOYSA-N	-1	1	458.594	3.251	50	30		JGEAMM
CCOc1c(Br)cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1Br	ZINC000027551949	556296566	/nfs/dbraw/zinc/29/65/66/556296566.db2.gz	HSXWCSBANTXOMN-OMEHRSSBSA-N	-1	1	479.150	3.007	50	30		JGEAMM
CCCS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000027794796	556307933	/nfs/dbraw/zinc/30/79/33/556307933.db2.gz	PFOSUSJNQWGXLV-UHFFFAOYSA-N	-1	1	469.386	3.487	50	30		JGEAMM
CC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c2c1	ZINC000032089283	556414191	/nfs/dbraw/zinc/41/41/91/556414191.db2.gz	ACVWMUTYYUFDIC-DEOSSOPVSA-N	-1	1	472.549	3.220	50	30		JGEAMM
CC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c2c1	ZINC000032089279	556414220	/nfs/dbraw/zinc/41/42/20/556414220.db2.gz	ACVWMUTYYUFDIC-XMMPIXPASA-N	-1	1	472.549	3.220	50	30		JGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CCCC1=O)N2	ZINC000033809967	569635432	/nfs/dbraw/zinc/63/54/32/569635432.db2.gz	YEMJAVYBIXUUHE-INIZCTEOSA-N	-1	1	454.464	3.249	50	30		JGEAMM
Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C#N)cc3)c2)ccc1=O	ZINC000085652039	569713896	/nfs/dbraw/zinc/71/38/96/569713896.db2.gz	WUMUGVQLJIFZJD-UHFFFAOYSA-N	-1	1	461.503	3.485	50	30		JGEAMM
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217854915	569881939	/nfs/dbraw/zinc/88/19/39/569881939.db2.gz	QFWWLGYKBGTCAF-MRXNPFEDSA-N	-1	1	454.431	3.167	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102601362	130220916	/nfs/dbraw/zinc/22/09/16/130220916.db2.gz	QQSBHZYGKIUVGV-GHNGSUTGSA-N	-1	1	480.458	3.152	50	30		JGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1	ZINC000102603592	130221238	/nfs/dbraw/zinc/22/12/38/130221238.db2.gz	BDYHSYJPPJXOJA-LFVOPCPISA-N	-1	1	493.497	3.031	50	30		JGEAMM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3ccc(F)c(F)c3)c2C(=O)OC)C1	ZINC000012279959	518694051	/nfs/dbraw/zinc/69/40/51/518694051.db2.gz	JCEGGCHEJGBAHC-UHFFFAOYSA-N	-1	1	484.546	3.142	50	30		JGEAMM
C=CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)C1	ZINC000021710483	518919740	/nfs/dbraw/zinc/91/97/40/518919740.db2.gz	AHNWWPLWDAQBTD-HXUWFJFHSA-N	-1	1	455.580	3.259	50	30		JGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc2)cc1	ZINC000010734954	525300111	/nfs/dbraw/zinc/30/01/11/525300111.db2.gz	RLFRYVXIJLFXJY-GAJHUEQPSA-N	-1	1	457.552	3.396	50	30		JGEAMM
Cc1cc(C2N=NC(=S)N2N=Cc2cc(Br)cc(Br)c2[O-])[nH]n1	ZINC000009292601	526059703	/nfs/dbraw/zinc/05/97/03/526059703.db2.gz	VQPVTUKZLOWXPS-FZSIALSZSA-N	-1	1	458.139	3.378	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000009340011	527314734	/nfs/dbraw/zinc/31/47/34/527314734.db2.gz	BEIUFWYCHJICTE-FQEVSTJZSA-N	-1	1	452.463	3.256	50	30		JGEAMM
CCCc1cc(=O)[n-]c(NC(=NC(=O)c2ccc(OC)cc2)Nc2ccc3c(c2)OCCO3)n1	ZINC000001075511	553904583	/nfs/dbraw/zinc/90/45/83/553904583.db2.gz	YDFGBIHLMPFCTF-UHFFFAOYSA-N	-1	1	463.494	3.223	50	30		JGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nc2sc(C)c(C)c2c1=O	ZINC000002624577	554248497	/nfs/dbraw/zinc/24/84/97/554248497.db2.gz	YLSAJOLXFKDXKK-UHFFFAOYSA-N	-1	1	458.521	3.218	50	30		JGEAMM
COc1ccc(-c2csc(-c3c([O-])cn(N=Cc4cc(OC)c(OC)c(OC)c4)c3N)n2)cc1	ZINC000008990268	554851996	/nfs/dbraw/zinc/85/19/96/554851996.db2.gz	VIBLJHSSBRKHTF-KBKYJPHKSA-N	-1	1	480.546	3.391	50	30		JGEAMM
Cc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000009008377	554862465	/nfs/dbraw/zinc/86/24/65/554862465.db2.gz	DFYCAJRZKQIZOY-LJQANCHMSA-N	-1	1	454.529	3.487	50	30		JGEAMM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000009008377	554862467	/nfs/dbraw/zinc/86/24/67/554862467.db2.gz	DFYCAJRZKQIZOY-LJQANCHMSA-N	-1	1	454.529	3.487	50	30		JGEAMM
COc1ccc(S(=O)(=O)N/N=C(\C)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1OC	ZINC000020159678	555676683	/nfs/dbraw/zinc/67/66/83/555676683.db2.gz	FRCVHQRNIAAGON-XQNSMLJCSA-N	-1	1	489.575	3.207	50	30		JGEAMM
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(NN=Cc3ccco3)[n-]1)CCC2	ZINC000020168357	555679004	/nfs/dbraw/zinc/67/90/04/555679004.db2.gz	JDVOPCLPAFEUQT-AWQFTUOYSA-N	-1	1	460.541	3.301	50	30		JGEAMM
CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020310507	555768730	/nfs/dbraw/zinc/76/87/30/555768730.db2.gz	HHJRIGRVHNXFAV-XMMPIXPASA-N	-1	1	480.561	3.400	50	30		JGEAMM
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(C(=O)C(C)C)[C@@H]2c2ccc(C(=O)[O-])cc2)c1	ZINC000062621096	569613485	/nfs/dbraw/zinc/61/34/85/569613485.db2.gz	YBQQKSUZOAPMFL-IBGZPJMESA-N	-1	1	481.457	3.083	50	30		JGEAMM
N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CCC(=O)N2CCCCC2)cc1	ZINC000095841943	569729076	/nfs/dbraw/zinc/72/90/76/569729076.db2.gz	NFTUOMBQNGXVOC-UHFFFAOYSA-N	-1	1	470.576	3.138	50	30		JGEAMM
O=C(Nc1ccccc1Cl)n1ncnc1S(=O)(=O)N=C([O-])Nc1ccccc1Cl	ZINC000096593977	569742271	/nfs/dbraw/zinc/74/22/71/569742271.db2.gz	GRKIJYJQUVRKHK-UHFFFAOYSA-N	-1	1	455.283	3.380	50	30		JGEAMM
O=C([N-]S(=O)(=O)c1ncnn1C(=O)Nc1ccccc1Cl)Nc1ccccc1Cl	ZINC000096593977	569742272	/nfs/dbraw/zinc/74/22/72/569742272.db2.gz	GRKIJYJQUVRKHK-UHFFFAOYSA-N	-1	1	455.283	3.380	50	30		JGEAMM
CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)[N-][C@@]1(O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000103406688	569834986	/nfs/dbraw/zinc/83/49/86/569834986.db2.gz	QADQQXJZXAPJIY-WMFXKJRFSA-N	-1	1	464.309	3.079	50	30		JGEAMM
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1	ZINC000102605854	130222091	/nfs/dbraw/zinc/22/20/91/130222091.db2.gz	WRXPWTFDAXDIPE-WOOAAIBNSA-N	-1	1	465.487	3.253	50	30		JGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102604722	130222165	/nfs/dbraw/zinc/22/21/65/130222165.db2.gz	FWGIEQAYCXSQSJ-YDJIHCHBSA-N	-1	1	495.513	3.261	50	30		JGEAMM
C#CCN1C(=O)S/C(=C\c2cc(Br)cc(I)c2[O-])C1=O	ZINC000009892647	518264017	/nfs/dbraw/zinc/26/40/17/518264017.db2.gz	OUWGMPIXNDTQDT-YHYXMXQVSA-N	-1	1	464.078	3.429	50	30		JGEAMM
C=CCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)c2C(=O)OC)C1	ZINC000014989262	518686818	/nfs/dbraw/zinc/68/68/18/518686818.db2.gz	VMLGWVISZSYNNE-UHFFFAOYSA-N	-1	1	468.984	3.127	50	30		JGEAMM
C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000009311396	519124795	/nfs/dbraw/zinc/12/47/95/519124795.db2.gz	USCAZKBPMRKHHR-UNOMPAQXSA-N	-1	1	480.542	3.281	50	30		JGEAMM
CC(=O)C(C=Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1)C(=O)Nc1ccccc1	ZINC000035622975	519351066	/nfs/dbraw/zinc/35/10/66/519351066.db2.gz	CVPIXVHQRYXZJQ-STZFKDTASA-N	-1	1	465.535	3.418	50	30		JGEAMM
CCSc1nnc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)[n-]2)s1	ZINC000035669323	521793832	/nfs/dbraw/zinc/79/38/32/521793832.db2.gz	BRLMHHWPHALJCW-UKWGHVSLSA-N	-1	1	478.585	3.064	50	30		JGEAMM
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000033497994	525626566	/nfs/dbraw/zinc/62/65/66/525626566.db2.gz	KFDCSYCGNVKFRZ-AFEQLLIESA-N	-1	1	497.554	3.312	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)NC1=O	ZINC000016115064	527631513	/nfs/dbraw/zinc/63/15/13/527631513.db2.gz	QSDFGMMXKGCQQS-VXSOZLBZSA-N	-1	1	467.257	3.014	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102729916	536569254	/nfs/dbraw/zinc/56/92/54/536569254.db2.gz	ZYMITXVWBHLENY-GROYHEBESA-N	-1	1	452.448	3.390	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)NC1=O	ZINC000001796767	553991243	/nfs/dbraw/zinc/99/12/43/553991243.db2.gz	OXHAYXGMEREAEC-MSGYXIIISA-N	-1	1	462.871	3.223	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008892327	554780624	/nfs/dbraw/zinc/78/06/24/554780624.db2.gz	WLIIDEMGUZJDRW-OAQYLSRUSA-N	-1	1	493.497	3.334	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008892327	554780628	/nfs/dbraw/zinc/78/06/28/554780628.db2.gz	WLIIDEMGUZJDRW-OAQYLSRUSA-N	-1	1	493.497	3.334	50	30		JGEAMM
C=CCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)CC1	ZINC000013357132	555383639	/nfs/dbraw/zinc/38/36/39/555383639.db2.gz	OFMCJSXMSYGOGF-UHFFFAOYSA-N	-1	1	455.580	3.259	50	30		JGEAMM
COc1ccc(C=Nn2cc([O-])c(-c3nc(-c4ccccc4)cs3)c2N)c(OC)c1OC	ZINC000013692374	555587125	/nfs/dbraw/zinc/58/71/25/555587125.db2.gz	PVFCBXOWEKGZRD-OPEKNORGSA-N	-1	1	450.520	3.382	50	30		JGEAMM
COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000020310445	555768853	/nfs/dbraw/zinc/76/88/53/555768853.db2.gz	JDOIYKXGWXRSRM-DEOSSOPVSA-N	-1	1	496.560	3.018	50	30		JGEAMM
COC(=O)C=C1SC(=Nc2nc[n-]c2C(=O)Nc2ccccc2)N(Cc2ccccc2)C1=O	ZINC000016956718	556187599	/nfs/dbraw/zinc/18/75/99/556187599.db2.gz	AHJAQTPUHPEFHK-FRHLLXQXSA-N	-1	1	461.503	3.482	50	30		JGEAMM
COC(=O)C=C1SC(=Nc2[n-]cnc2C(=O)Nc2ccccc2)N(Cc2ccccc2)C1=O	ZINC000016956718	556187600	/nfs/dbraw/zinc/18/76/00/556187600.db2.gz	AHJAQTPUHPEFHK-FRHLLXQXSA-N	-1	1	461.503	3.482	50	30		JGEAMM
COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C	ZINC000026254997	556251429	/nfs/dbraw/zinc/25/14/29/556251429.db2.gz	HUEHGLUPXSRBGW-PWSUYJOCSA-N	-1	1	461.466	3.325	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000018010011	556276091	/nfs/dbraw/zinc/27/60/91/556276091.db2.gz	BEIUFWYCHJICTE-HXUWFJFHSA-N	-1	1	452.463	3.256	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(OC)c(OC)c4)c3[n-]2)C1	ZINC000064611743	569623018	/nfs/dbraw/zinc/62/30/18/569623018.db2.gz	WDXOQDOEOWAPTC-HNNXBMFYSA-N	-1	1	454.552	3.187	50	30		JGEAMM
COc1ccccc1NC(=O)Cc1sc(NN=Cc2ccc(Br)cc2)nc1[O-]	ZINC000072333071	569703153	/nfs/dbraw/zinc/70/31/53/569703153.db2.gz	WVTFYUXGIXEBKR-BTZNOAQDSA-N	-1	1	461.341	3.408	50	30		JGEAMM
CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)[N-][C@]1(O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000101388118	569795788	/nfs/dbraw/zinc/79/57/88/569795788.db2.gz	QADQQXJZXAPJIY-AMJWSMQMSA-N	-1	1	464.309	3.079	50	30		JGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102714363	130260982	/nfs/dbraw/zinc/26/09/82/130260982.db2.gz	IDLMYUNGSMMEKO-MRJHHRETSA-N	-1	1	478.457	3.413	50	30		JGEAMM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102888635	130369678	/nfs/dbraw/zinc/36/96/78/130369678.db2.gz	MDSSSIOTNBRZAG-JBCNATCCSA-N	-1	1	493.497	3.177	50	30		JGEAMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102888635	130369680	/nfs/dbraw/zinc/36/96/80/130369680.db2.gz	MDSSSIOTNBRZAG-JBCNATCCSA-N	-1	1	493.497	3.177	50	30		JGEAMM
C=C(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[n-]c(=O)c32)cc1	ZINC000012389911	518647717	/nfs/dbraw/zinc/64/77/17/518647717.db2.gz	NRZXEDJQCUOYIU-FQEVSTJZSA-N	-1	1	455.518	3.430	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1	ZINC000021710452	518930028	/nfs/dbraw/zinc/93/00/28/518930028.db2.gz	OZIWCZRNYPYSMB-KRWDZBQOSA-N	-1	1	461.971	3.295	50	30		JGEAMM
C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000002979301	519126086	/nfs/dbraw/zinc/12/60/86/519126086.db2.gz	HZDDPFLBASSZAM-XDHOZWIPSA-N	-1	1	496.541	3.117	50	30		JGEAMM
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000033497992	525625763	/nfs/dbraw/zinc/62/57/63/525625763.db2.gz	KFDCSYCGNVKFRZ-FINLKQIMSA-N	-1	1	497.554	3.312	50	30		JGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102733735	536568853	/nfs/dbraw/zinc/56/88/53/536568853.db2.gz	QOVASNGETXUNTC-GROYHEBESA-N	-1	1	452.448	3.390	50	30		JGEAMM
C=CCNC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)CC1	ZINC000013357113	555383692	/nfs/dbraw/zinc/38/36/92/555383692.db2.gz	IEUYYCAOYRTJLB-UHFFFAOYSA-N	-1	1	461.971	3.295	50	30		JGEAMM
CCOC(=O)c1sc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)[n-]2)c(C#N)c1C	ZINC000020167969	555678392	/nfs/dbraw/zinc/67/83/92/555678392.db2.gz	YLZHLHQJDHGQGE-ODCIPOBUSA-N	-1	1	473.540	3.301	50	30		JGEAMM
CCSc1nnc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)[n-]2)s1	ZINC000020191025	555692011	/nfs/dbraw/zinc/69/20/11/555692011.db2.gz	BRLMHHWPHALJCW-AWQFTUOYSA-N	-1	1	478.585	3.064	50	30		JGEAMM
COc1cccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000020309316	555766052	/nfs/dbraw/zinc/76/60/52/555766052.db2.gz	OLKTXZMMYQYOPH-HSZRJFAPSA-N	-1	1	466.534	3.010	50	30		JGEAMM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000065318952	569673477	/nfs/dbraw/zinc/67/34/77/569673477.db2.gz	ROPWPSHYOOYDPQ-UHFFFAOYSA-N	-1	1	451.508	3.344	50	30		JGEAMM
CCOC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)[N-][C@]1(O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000101388123	569795677	/nfs/dbraw/zinc/79/56/77/569795677.db2.gz	QADQQXJZXAPJIY-FEUHOPSXSA-N	-1	1	464.309	3.079	50	30		JGEAMM
CCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)[N-][C@@]1(O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000103406681	569834907	/nfs/dbraw/zinc/83/49/07/569834907.db2.gz	QADQQXJZXAPJIY-YHAQOWFVSA-N	-1	1	464.309	3.079	50	30		JGEAMM
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccccc4Cl)ccc3n2)CC1	ZINC000096493314	130106571	/nfs/dbraw/zinc/10/65/71/130106571.db2.gz	MMXCNHNNKOQDEY-UHFFFAOYSA-N	-1	1	499.980	3.423	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2F)s1	ZINC000102570821	130213644	/nfs/dbraw/zinc/21/36/44/130213644.db2.gz	PHBGWGDVSHHLSA-GHNGSUTGSA-N	-1	1	453.451	3.383	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1	ZINC000102867109	130339959	/nfs/dbraw/zinc/33/99/59/130339959.db2.gz	HOBNBHJRNKFESG-YDJIHCHBSA-N	-1	1	497.460	3.008	50	30		JGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000021712919	518929798	/nfs/dbraw/zinc/92/97/98/518929798.db2.gz	OFMAZPFELDIIJZ-LJQANCHMSA-N	-1	1	492.395	3.157	50	30		JGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OC(=O)c1ccc(C)cc1	ZINC000016115709	520639089	/nfs/dbraw/zinc/63/90/89/520639089.db2.gz	WMSSPNGHKUXSHC-KCDOPAPYSA-N	-1	1	455.492	3.009	50	30		JGEAMM
CCOc1cc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000003613540	520639119	/nfs/dbraw/zinc/63/91/19/520639119.db2.gz	UNJQHQIWNFSPQE-TVSCDJBNSA-N	-1	1	475.910	3.354	50	30		JGEAMM
CCOC(=O)N1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2[N+](=O)[O-])CC1	ZINC000009140667	520922878	/nfs/dbraw/zinc/92/28/78/520922878.db2.gz	YMWXIVMCCWSHOC-UHFFFAOYSA-N	-1	1	491.526	3.424	50	30		JGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1O	ZINC000016737393	523571862	/nfs/dbraw/zinc/57/18/62/523571862.db2.gz	LPZXDIOQJZCGRU-IBGZPJMESA-N	-1	1	483.502	3.361	50	30		JGEAMM
O=C1N=C2C=CC=CN2C(=O)C1=N[N-]c1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2	ZINC000016492353	527046988	/nfs/dbraw/zinc/04/69/88/527046988.db2.gz	NJKNEBSHNFGPCF-SGWCAAJKSA-N	-1	1	460.457	3.306	50	30		JGEAMM
O=C(CSc1nc(N=NCc2cc(Br)ccc2O)n[n-]1)c1ccc2c(c1)OCO2	ZINC000020608306	527049899	/nfs/dbraw/zinc/04/98/99/527049899.db2.gz	DQUVUWNMQSXCDI-IFRROFPPSA-N	-1	1	476.312	3.423	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OCc2ccc(Br)cc2)NC1=O	ZINC000009763193	527632318	/nfs/dbraw/zinc/63/23/18/527632318.db2.gz	PHUAURSOLNJUSX-CTJICSLTSA-N	-1	1	462.325	3.424	50	30		JGEAMM
N#Cc1ccccc1NC(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000002653287	554269126	/nfs/dbraw/zinc/26/91/26/554269126.db2.gz	CNPLDZHZGGYSQA-UHFFFAOYSA-N	-1	1	453.451	3.294	50	30		JGEAMM
Cc1c(C#N)c([N-]C(=O)c2nn(C)c(C(F)(F)F)c2Br)sc1C(=O)N(C)C	ZINC000002780932	554341652	/nfs/dbraw/zinc/34/16/52/554341652.db2.gz	RYAOZGGKERBKTN-UHFFFAOYSA-N	-1	1	464.267	3.397	50	30		JGEAMM
COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)c(Br)c(Br)c1[O-]	ZINC000013915114	555646609	/nfs/dbraw/zinc/64/66/09/555646609.db2.gz	PBPDNPCCDWGLNZ-LBPRGKRZSA-N	-1	1	450.152	3.308	50	30		JGEAMM
COc1cccc([C@H]2c3c(=O)[n-]c(SCCN4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000020133646	555657873	/nfs/dbraw/zinc/65/78/73/555657873.db2.gz	XHZUATLIQGKLEZ-HXUWFJFHSA-N	-1	1	496.633	3.403	50	30		JGEAMM
COc1cccc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000020309176	555765594	/nfs/dbraw/zinc/76/55/94/555765594.db2.gz	PQFZOFWWQSBEOX-LJQANCHMSA-N	-1	1	460.914	3.203	50	30		JGEAMM
Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2F)cc1C	ZINC000020309840	555767413	/nfs/dbraw/zinc/76/74/13/555767413.db2.gz	QVKLKMCRSHESCM-JOCHJYFZSA-N	-1	1	454.498	3.059	50	30		JGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000015857424	556025227	/nfs/dbraw/zinc/02/52/27/556025227.db2.gz	UNJQHQIWNFSPQE-HPMPDSITSA-N	-1	1	475.910	3.354	50	30		JGEAMM
O=S(=O)(N=C([O-])N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)c(F)c1	ZINC000025177845	556202619	/nfs/dbraw/zinc/20/26/19/556202619.db2.gz	LBOMXRYNXUHJEO-UHFFFAOYSA-N	-1	1	484.834	3.457	50	30		JGEAMM
O=C([N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000025177845	556202623	/nfs/dbraw/zinc/20/26/23/556202623.db2.gz	LBOMXRYNXUHJEO-UHFFFAOYSA-N	-1	1	484.834	3.457	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017124889	556220560	/nfs/dbraw/zinc/22/05/60/556220560.db2.gz	NLHVWNCOYLOMGW-FQEVSTJZSA-N	-1	1	479.470	3.025	50	30		JGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000017208790	556241555	/nfs/dbraw/zinc/24/15/55/556241555.db2.gz	WPBLSQQALOHBTD-HXUWFJFHSA-N	-1	1	452.463	3.256	50	30		JGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(F)cc2)s1	ZINC000102604427	130221727	/nfs/dbraw/zinc/22/17/27/130221727.db2.gz	GRMISORWWOQUKE-SELCWUDQSA-N	-1	1	453.451	3.383	50	30		JGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccco2)nc1C	ZINC000102694117	130240504	/nfs/dbraw/zinc/24/05/04/130240504.db2.gz	LOEHCDJYYPHFAG-UYTDBDHRSA-N	-1	1	454.460	3.466	50	30		JGEAMM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccco2)nc1C	ZINC000102860646	130331589	/nfs/dbraw/zinc/33/15/89/130331589.db2.gz	ISTARRFRYKFZAR-IBOXJLQUSA-N	-1	1	454.460	3.466	50	30		JGEAMM
C=CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2C(=O)OC)C1	ZINC000014995009	518694358	/nfs/dbraw/zinc/69/43/58/518694358.db2.gz	GHJYXQBPVQGNDG-UHFFFAOYSA-N	-1	1	466.556	3.003	50	30		JGEAMM
CC(=O)N1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1	ZINC000012499659	519499848	/nfs/dbraw/zinc/49/98/48/519499848.db2.gz	MKUMPDQGOQYPAU-UHFFFAOYSA-N	-1	1	465.919	3.459	50	30		JGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc(Br)c1OCc1ccccc1	ZINC000012465451	521987014	/nfs/dbraw/zinc/98/70/14/521987014.db2.gz	IEKURFJLVHJBRJ-CPHRPENTSA-N	-1	1	492.351	3.433	50	30		JGEAMM
O=C(CN1C(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21)Nc1ccccc1	ZINC000015774665	526705862	/nfs/dbraw/zinc/70/58/62/526705862.db2.gz	WFNWPTIJHPTSDF-NJNXFGOHSA-N	-1	1	460.406	3.305	50	30		JGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OCc2ccc(Br)cc2)NC1=O	ZINC000009763194	527637727	/nfs/dbraw/zinc/63/77/27/527637727.db2.gz	PHUAURSOLNJUSX-PPAWOMOGSA-N	-1	1	462.325	3.424	50	30		JGEAMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000000660037	553738848	/nfs/dbraw/zinc/73/88/48/553738848.db2.gz	QRTHXJGPUCPPDD-UHFFFAOYSA-N	-1	1	456.527	3.459	50	30		JGEAMM
Cc1c(NC2=C(C(=O)c3ccccc3)[N-]S(=O)(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000008985808	554849085	/nfs/dbraw/zinc/84/90/85/554849085.db2.gz	ROAOPYGOYBCASE-UHFFFAOYSA-N	-1	1	486.553	3.440	50	30		JGEAMM
O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccnc1)N2	ZINC000019848625	555510209	/nfs/dbraw/zinc/51/02/09/555510209.db2.gz	FCNILZCVHSYPHR-UHFFFAOYSA-N	-1	1	473.308	3.252	50	30		JGEAMM
COc1cccc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000020309173	555765602	/nfs/dbraw/zinc/76/56/02/555765602.db2.gz	PQFZOFWWQSBEOX-IBGZPJMESA-N	-1	1	460.914	3.203	50	30		JGEAMM
COc1cccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000020309313	555766092	/nfs/dbraw/zinc/76/60/92/555766092.db2.gz	OLKTXZMMYQYOPH-QHCPKHFHSA-N	-1	1	466.534	3.010	50	30		JGEAMM
COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020310437	555768844	/nfs/dbraw/zinc/76/88/44/555768844.db2.gz	RLWAOQLYWRHBTJ-QHCPKHFHSA-N	-1	1	466.534	3.010	50	30		JGEAMM
C=CC[N-]S(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C(=O)/C=C/c1cccc(Cl)c1)C2	ZINC000012453439	555981130	/nfs/dbraw/zinc/98/11/30/555981130.db2.gz	SRFTXKUXQJAZOG-BQYQJAHWSA-N	-1	1	480.995	3.251	50	30		JGEAMM
CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NN(c4cccc(C)c4)C3=O)o2)cc1	ZINC000032099629	556416216	/nfs/dbraw/zinc/41/62/16/556416216.db2.gz	AHZGYKKAOYBCEA-MOSHPQCFSA-N	-1	1	465.487	3.382	50	30		JGEAMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)cc1)OCC(=O)N2Cc1noc(C2CCC2)n1	ZINC000065022883	569649728	/nfs/dbraw/zinc/64/97/28/569649728.db2.gz	VLPUPINPEGRLAS-UHFFFAOYSA-N	-1	1	479.518	3.244	50	30		JGEAMM
Cc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000103612704	569836682	/nfs/dbraw/zinc/83/66/82/569836682.db2.gz	OCKLEYNXVOIFDH-WOOAAIBNSA-N	-1	1	454.529	3.330	50	30		JGEAMM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000103612704	569836683	/nfs/dbraw/zinc/83/66/83/569836683.db2.gz	OCKLEYNXVOIFDH-WOOAAIBNSA-N	-1	1	454.529	3.330	50	30		JGEAMM