smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O)c1ccccc1	ZINC000408547115	466681354	/nfs/dbraw/zinc/68/13/54/466681354.db2.gz	ZSKLJFZTHAIDQT-DYTQJMLRSA-N	-1	0	339.351	2.093	40	10		EECBRM
Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c2ccccc21	ZINC000409394131	257871590	/nfs/dbraw/zinc/87/15/90/257871590.db2.gz	WDIXKRNUMKTLEN-XNTDXEJSSA-N	-1	0	346.346	2.240	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(OC)c1	ZINC000004992959	462642367	/nfs/dbraw/zinc/64/23/67/462642367.db2.gz	GUSZLCGILJYWJL-NTEUORMPSA-N	-1	0	344.367	2.108	40	10		EECBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O	ZINC000005552538	462662906	/nfs/dbraw/zinc/66/29/06/462662906.db2.gz	SEWXAAVIFNADES-UKTHLTGXSA-N	-1	0	332.381	2.408	40	10		EECBRM
O=C([O-])COc1ccc(Cl)cc1C=C1SC(=S)NC1=O	ZINC000222246869	464127433	/nfs/dbraw/zinc/12/74/33/464127433.db2.gz	YFOVFSMMSYDXDV-WTKPLQERSA-N	-1	0	329.786	2.292	40	10		EECBRM
O=C([O-])CCN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S	ZINC000002225040	1349940255	/nfs/dbraw/zinc/94/02/55/1349940255.db2.gz	QDWGUMMVADLWCN-JXMROGBWSA-N	-1	0	333.394	2.239	40	10		EECBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccncc2)C1=O	ZINC000409393580	466687500	/nfs/dbraw/zinc/68/75/00/466687500.db2.gz	QVIKTVYVFCRYDI-SDNWHVSQSA-N	-1	0	337.335	2.147	40	10		EECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408931117	466684455	/nfs/dbraw/zinc/68/44/55/466684455.db2.gz	HJQYBPAKOQBJLB-ZRDIBKRKSA-N	-1	0	327.315	2.314	40	10		EECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409389928	466688086	/nfs/dbraw/zinc/68/80/86/466688086.db2.gz	CXNQGVOKVPZZRR-RVDMUPIBSA-N	-1	0	337.335	2.147	40	10		EECBRM
CC[C@@H](C)N1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000103116393	1358326070	/nfs/dbraw/zinc/32/60/70/1358326070.db2.gz	WLIXYTUYCDWULI-ZPBHHCQCSA-N	-1	0	347.396	2.134	40	10		EECBRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cs1	ZINC000006681617	462697496	/nfs/dbraw/zinc/69/74/96/462697496.db2.gz	MNGDVGMJJPNJKW-UHFFFAOYSA-N	-1	0	326.399	2.004	40	10		EECBRM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(O)c1	ZINC000408916761	466684016	/nfs/dbraw/zinc/68/40/16/466684016.db2.gz	HBTKLLIWUSOKID-ZROIWOOFSA-N	-1	0	342.351	2.363	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1	ZINC000408938275	466684276	/nfs/dbraw/zinc/68/42/76/466684276.db2.gz	PUJJITAPTAPWRL-GXDHUFHOSA-N	-1	0	337.291	2.261	40	10		EECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3CCCO3)C2=O)cc1C	ZINC000102486977	1358302840	/nfs/dbraw/zinc/30/28/40/1358302840.db2.gz	INCPQAIZLAVDNT-QTNMRXCUSA-N	-1	0	343.383	2.379	40	10		EECBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C)C2=O)c1	ZINC000409083415	466685372	/nfs/dbraw/zinc/68/53/72/466685372.db2.gz	AJSOAHLKVWWKDX-RVDMUPIBSA-N	-1	0	339.351	2.090	40	10		EECBRM
[NH3+][C@H](CC(=O)[O-])c1cc(Br)cc(Br)c1[O-]	ZINC000044214813	463670678	/nfs/dbraw/zinc/67/06/78/463670678.db2.gz	PXJBFNMEGGQVDG-SSDOTTSWSA-N	-1	0	338.983	2.392	40	10		EECBRM
CCc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000408999396	466684061	/nfs/dbraw/zinc/68/40/61/466684061.db2.gz	KTRLLZAIDWCEFD-UHFFFAOYSA-N	-1	0	337.379	2.406	40	10		EECBRM
Cc1cccc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)c1	ZINC000027533454	1352373166	/nfs/dbraw/zinc/37/31/66/1352373166.db2.gz	JYDPKNJEOYQMES-DHZHZOJOSA-N	-1	0	343.451	2.084	40	10		EECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccnc3)C2=O)c(C)c1	ZINC000408529109	466680472	/nfs/dbraw/zinc/68/04/72/466680472.db2.gz	IHOVDDDQVONCDA-GXDHUFHOSA-N	-1	0	336.351	2.277	40	10		EECBRM
Cc1ccccc1/C=C1/SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000027533452	1352373042	/nfs/dbraw/zinc/37/30/42/1352373042.db2.gz	UEIJUKZCXSIKFJ-DHZHZOJOSA-N	-1	0	343.451	2.084	40	10		EECBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1O	ZINC000012363841	1352315640	/nfs/dbraw/zinc/31/56/40/1352315640.db2.gz	DBNPCRVCBZDOCV-LUAWRHEFSA-N	-1	0	342.351	2.363	40	10		EECBRM
C[C@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc21	ZINC000113774022	462612363	/nfs/dbraw/zinc/61/23/63/462612363.db2.gz	HRBDSAMIPUKELJ-JTQLQIEISA-N	-1	0	327.384	2.158	40	10		EECBRM
C#CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC	ZINC000034849035	463429746	/nfs/dbraw/zinc/42/97/46/463429746.db2.gz	BJMJRHMDHHFUIZ-SSZFMOIBSA-N	-1	0	348.358	2.169	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNN1CCCCC1	ZINC000033929985	1352324453	/nfs/dbraw/zinc/32/44/53/1352324453.db2.gz	YPCOAOMBILRSEA-JLHYYAGUSA-N	-1	0	332.335	2.123	40	10		EECBRM
CCN1c2ccccc2C/C1=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000103647410	285472504	/nfs/dbraw/zinc/47/25/04/285472504.db2.gz	XVXODIADOWOGFU-ACCUITESSA-N	-1	0	334.422	2.226	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1C	ZINC000409391658	466687752	/nfs/dbraw/zinc/68/77/52/466687752.db2.gz	JDOXDYRZOYJCES-GXDHUFHOSA-N	-1	0	337.335	2.065	40	10		EECBRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000004992985	462642171	/nfs/dbraw/zinc/64/21/71/462642171.db2.gz	CWLSNVLKTFVOCH-YRNVUSSQSA-N	-1	0	334.759	2.450	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C	ZINC000033398384	463420683	/nfs/dbraw/zinc/42/06/83/463420683.db2.gz	NDQTXRFWXTUMEE-NTEUORMPSA-N	-1	0	340.335	2.259	40	10		EECBRM
Cn1c(=O)c(/C=C2\C(=O)NN=C2c2ccccc2)c([O-])c2ccccc21	ZINC000016364007	462974421	/nfs/dbraw/zinc/97/44/21/462974421.db2.gz	RFKNPDTZGXKZRI-KAMYIIQDSA-N	-1	0	345.358	2.162	40	10		EECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3)C2=O)cc1	ZINC000408527891	466680031	/nfs/dbraw/zinc/68/00/31/466680031.db2.gz	GQXSNCSENFKSJU-PTNGSMBKSA-N	-1	0	337.335	2.274	40	10		EECBRM
Cc1ccc(F)cc1NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000408547059	466680129	/nfs/dbraw/zinc/68/01/29/466680129.db2.gz	IAWRYKASGDFHRA-JYRVWZFOSA-N	-1	0	343.314	2.302	40	10		EECBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547057	466680321	/nfs/dbraw/zinc/68/03/21/466680321.db2.gz	IARBJUPJZBYPNT-ZROIWOOFSA-N	-1	0	325.324	2.162	40	10		EECBRM
C[C@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(Cl)c(O)c1C2=O	ZINC000514287746	467941131	/nfs/dbraw/zinc/94/11/31/467941131.db2.gz	RILOVTGOFDASJT-LURJTMIESA-N	-1	0	348.738	2.156	40	10	biogenic,in-vitro	EECBRM
C[C@@H](O)Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(Cl)c(O)c1C2=O	ZINC000514287747	467941191	/nfs/dbraw/zinc/94/11/91/467941191.db2.gz	RILOVTGOFDASJT-ZCFIWIBFSA-N	-1	0	348.738	2.156	40	10	biogenic,in-vitro	EECBRM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000408547092	466681563	/nfs/dbraw/zinc/68/15/63/466681563.db2.gz	UKTORYVSTMOSNL-ZROIWOOFSA-N	-1	0	325.324	2.162	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1c[nH]c2ccccc12	ZINC000409390647	466687616	/nfs/dbraw/zinc/68/76/16/466687616.db2.gz	GJOKHSVURMPHFO-NTEUORMPSA-N	-1	0	332.319	2.229	40	10		EECBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000000331566	462554769	/nfs/dbraw/zinc/55/47/69/462554769.db2.gz	HBYQWQBRACAEGZ-GDNBJRDFSA-N	-1	0	340.335	2.340	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccs1	ZINC000408935046	466684483	/nfs/dbraw/zinc/68/44/83/466684483.db2.gz	GDFMVAHAOAEKFS-XYOKQWHBSA-N	-1	0	343.320	2.323	40	10		EECBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccccc1F	ZINC000000115176	462542712	/nfs/dbraw/zinc/54/27/12/462542712.db2.gz	FILNUXTXFPOAGU-LCYFTJDESA-N	-1	0	341.342	2.325	40	10		EECBRM
COc1ccc(N2CCN(c3ccc(C(=O)[O-])cc3N)CC2)cc1	ZINC000225323018	464155766	/nfs/dbraw/zinc/15/57/66/464155766.db2.gz	NRAMWTKOMQRMCO-UHFFFAOYSA-N	-1	0	327.384	2.302	40	10		EECBRM
CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)CC(C(=O)[O-])=N2	ZINC000102334229	295689867	/nfs/dbraw/zinc/68/98/67/295689867.db2.gz	XETPDRKOWCQWHF-GFCCVEGCSA-N	-1	0	331.401	2.049	40	10		EECBRM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNC[C@@H]1CCCO1	ZINC000103105674	1358325535	/nfs/dbraw/zinc/32/55/35/1358325535.db2.gz	CMKBJZFOQVSMLE-YEQVNJDRSA-N	-1	0	347.415	2.448	40	10		EECBRM
CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O	ZINC000575410768	468142391	/nfs/dbraw/zinc/14/23/91/468142391.db2.gz	GIIDHYDVFBDPCA-UHFFFAOYSA-N	-1	0	338.319	2.253	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccncc1	ZINC000059104840	463640415	/nfs/dbraw/zinc/64/04/15/463640415.db2.gz	IAFRRZCTCQLBQI-KPKJPENVSA-N	-1	0	337.291	2.317	40	10		EECBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(C)c1	ZINC000409001677	466684209	/nfs/dbraw/zinc/68/42/09/466684209.db2.gz	QGDVUTQGYSEGDQ-YBEGLDIGSA-N	-1	0	337.379	2.494	40	10		EECBRM
O=C([O-])CN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S	ZINC000409338097	466686461	/nfs/dbraw/zinc/68/64/61/466686461.db2.gz	CZTYLWABPDPHEH-WDZFZDKYSA-N	-1	0	347.373	2.079	40	10		EECBRM
CC(C)(C)OC(=O)N1CCN(Cc2c3c(ccc2[O-])C(=O)CO3)CC1	ZINC000203452737	564060394	/nfs/dbraw/zinc/06/03/94/564060394.db2.gz	QXOVXHJBAWQSOP-UHFFFAOYSA-N	-1	0	348.399	2.020	40	10		EECBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000408547066	466680199	/nfs/dbraw/zinc/68/01/99/466680199.db2.gz	KVYKPJKTBCKECC-UVTDQMKNSA-N	-1	0	339.351	2.416	40	10		EECBRM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OC)c1C	ZINC000033383506	463421355	/nfs/dbraw/zinc/42/13/55/463421355.db2.gz	CMBMKBZCWFVZLL-PTNGSMBKSA-N	-1	0	338.363	2.474	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc(O)c1	ZINC000408852147	466683169	/nfs/dbraw/zinc/68/31/69/466683169.db2.gz	COKCUTPWEYQVKV-NTEUORMPSA-N	-1	0	326.283	2.198	40	10		EECBRM
CN(C)n1c([O-])c(C(=O)Nc2cccc3ccccc32)sc1=S	ZINC000001576725	289227377	/nfs/dbraw/zinc/22/73/77/289227377.db2.gz	MSJVQRJAOBVRGM-CYBMUJFWSA-N	-1	0	345.449	2.484	40	10		EECBRM
Cc1cc(C)cc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000106320090	463509781	/nfs/dbraw/zinc/50/97/81/463509781.db2.gz	UJZZFAPSPRHEDT-DHDCSXOGSA-N	-1	0	339.351	2.471	40	10		EECBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c1C	ZINC000409390658	466687513	/nfs/dbraw/zinc/68/75/13/466687513.db2.gz	GKEKSWBRLOWRJN-XNTDXEJSSA-N	-1	0	338.367	2.186	40	10		EECBRM
CCc1ccccc1N1C(=O)/C(=C/c2cccn2C)C(=O)[N-]C1=S	ZINC000409101609	466685795	/nfs/dbraw/zinc/68/57/95/466685795.db2.gz	WNKNAONGVNUAEK-SDNWHVSQSA-N	-1	0	339.420	2.419	40	10		EECBRM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccccc3)C2=O)cc1	ZINC000005009742	276299751	/nfs/dbraw/zinc/29/97/51/276299751.db2.gz	RDJBPXAGXNUUIJ-VBKFSLOCSA-N	-1	0	336.347	2.325	40	10		EECBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1OCC#N	ZINC000006174875	462678360	/nfs/dbraw/zinc/67/83/60/462678360.db2.gz	LEUHCPLHHYOKRS-NTCAYCPXSA-N	-1	0	349.346	2.059	40	10		EECBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000409207648	257874975	/nfs/dbraw/zinc/87/49/75/257874975.db2.gz	ZIOMPYGCMHOFRS-LCYFTJDESA-N	-1	0	344.367	2.108	40	10		EECBRM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000408547072	466680216	/nfs/dbraw/zinc/68/02/16/466680216.db2.gz	NUFQKIGJZMRKQV-LCYFTJDESA-N	-1	0	325.324	2.162	40	10		EECBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)c1	ZINC000408547083	466681543	/nfs/dbraw/zinc/68/15/43/466681543.db2.gz	SRESPTNXWTXYKQ-ZROIWOOFSA-N	-1	0	339.351	2.471	40	10		EECBRM
CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409048855	466685744	/nfs/dbraw/zinc/68/57/44/466685744.db2.gz	UGVOJYDVEAIRPN-UHFFFAOYSA-N	-1	0	329.139	2.142	40	10		EECBRM
Cc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C	ZINC000408547036	466679938	/nfs/dbraw/zinc/67/99/38/466679938.db2.gz	GWUPYWWERBUHLC-ZROIWOOFSA-N	-1	0	339.351	2.471	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000409390598	466687760	/nfs/dbraw/zinc/68/77/60/466687760.db2.gz	GBATYAHBLVLMKD-JXMROGBWSA-N	-1	0	333.756	2.463	40	10		EECBRM
CCN(/C=C1\C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O)CC	ZINC000408539780	466680239	/nfs/dbraw/zinc/68/02/39/466680239.db2.gz	YXHGYTVNHJVHTH-GXDHUFHOSA-N	-1	0	329.400	2.420	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1	ZINC000100815009	219108280	/nfs/dbraw/zinc/10/82/80/219108280.db2.gz	YPBUMSOYENEQLR-GXDHUFHOSA-N	-1	0	325.299	2.405	40	10		EECBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1C	ZINC000000450038	462563950	/nfs/dbraw/zinc/56/39/50/462563950.db2.gz	PNGOFILDYLHBND-NVNXTCNLSA-N	-1	0	341.342	2.447	40	10		EECBRM
CC(=O)Nc1cc(N=Nc2ccc(N)cc2N)cc(S(=O)(=O)[O-])c1	ZINC000003844901	462625220	/nfs/dbraw/zinc/62/52/20/462625220.db2.gz	VEXXCIOSFSLTGM-UHFFFAOYSA-N	-1	0	349.372	2.472	40	10		EECBRM
Nc1nc2nc(N=Nc3ccc(Br)cc3)[n-]c2c(=O)[nH]1	ZINC000018178302	463008645	/nfs/dbraw/zinc/00/86/45/463008645.db2.gz	WOLARJZCVLUQAA-VHEBQXMUSA-N	-1	0	334.137	2.406	40	10		EECBRM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000409400940	466687634	/nfs/dbraw/zinc/68/76/34/466687634.db2.gz	VYNTZWQYICFVEB-LCYFTJDESA-N	-1	0	339.307	2.065	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccncc1	ZINC000059426692	463643444	/nfs/dbraw/zinc/64/34/44/463643444.db2.gz	HKRRCUQHFDLTLJ-UKTHLTGXSA-N	-1	0	327.727	2.401	40	10		EECBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1O	ZINC000408913631	466683139	/nfs/dbraw/zinc/68/31/39/466683139.db2.gz	MOXVIMKINKXGLD-MDWZMJQESA-N	-1	0	326.283	2.198	40	10		EECBRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000009265484	462800760	/nfs/dbraw/zinc/80/07/60/462800760.db2.gz	MYKBTMUFDNYMCJ-ZSOIEALJSA-N	-1	0	332.319	2.229	40	10		EECBRM
CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000225447443	464161482	/nfs/dbraw/zinc/16/14/82/464161482.db2.gz	CNMIYJMTBYDNMK-UHFFFAOYSA-N	-1	0	347.343	2.053	40	10		EECBRM
CC[C@H](C)N1C(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000103116395	1358325943	/nfs/dbraw/zinc/32/59/43/1358325943.db2.gz	WLIXYTUYCDWULI-RILYUOAZSA-N	-1	0	347.396	2.134	40	10		EECBRM
N=C1NC(=O)/C(=C/c2ccc(-c3ccc(O)c(C(=O)[O-])c3)o2)S1	ZINC000059596963	236931994	/nfs/dbraw/zinc/93/19/94/236931994.db2.gz	MVZQAYWDYOVRIV-SDQBBNPISA-N	-1	0	330.321	2.489	40	10		EECBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1O	ZINC000000566124	462571554	/nfs/dbraw/zinc/57/15/54/462571554.db2.gz	DBNPCRVCBZDOCV-PKNBQFBNSA-N	-1	0	342.351	2.363	40	10		EECBRM
C#CCOc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC	ZINC000006407626	462685105	/nfs/dbraw/zinc/68/51/05/462685105.db2.gz	BJMJRHMDHHFUIZ-DTQAZKPQSA-N	-1	0	348.358	2.169	40	10		EECBRM
COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1	ZINC000004999331	210355690	/nfs/dbraw/zinc/35/56/90/210355690.db2.gz	PJZGSJGRQIEZNW-GXDHUFHOSA-N	-1	0	344.367	2.108	40	10		EECBRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000001791241	462586863	/nfs/dbraw/zinc/58/68/63/462586863.db2.gz	WNAKGYSYFWPZJH-UHFFFAOYSA-N	-1	0	346.383	2.404	40	10		EECBRM
Cc1nnc(S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)[O-])o1	ZINC000007365766	462732383	/nfs/dbraw/zinc/73/23/83/462732383.db2.gz	RTJKFKCTMRTIML-GXDHUFHOSA-N	-1	0	347.396	2.432	40	10		EECBRM
CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000168738780	463667774	/nfs/dbraw/zinc/66/77/74/463667774.db2.gz	ACKVWZWGPJSJFH-HJSZHNSDSA-N	-1	0	332.381	2.430	40	10		EECBRM
NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1cccs1)CCC2	ZINC000027924584	1352373715	/nfs/dbraw/zinc/37/37/15/1352373715.db2.gz	UFZKJYCIPZOBSY-UHFFFAOYSA-N	-1	0	328.440	2.198	40	10		EECBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1	ZINC000002909139	462607045	/nfs/dbraw/zinc/60/70/45/462607045.db2.gz	NWYKQLJPXPDCCV-GXDHUFHOSA-N	-1	0	338.319	2.067	40	10		EECBRM
Cc1ccc(N2C(=O)C(=CNN3CCCCC3)C(=O)[N-]C2=S)cc1	ZINC000033929966	292126769	/nfs/dbraw/zinc/12/67/69/292126769.db2.gz	SWSSMNUEQSTCII-SDNWHVSQSA-N	-1	0	344.440	2.457	40	10		EECBRM
O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)ccc2O)SC1=S	ZINC000003213176	462612324	/nfs/dbraw/zinc/61/23/24/462612324.db2.gz	ALVBEVHIYVLGOM-RUDMXATFSA-N	-1	0	329.786	2.331	40	10		EECBRM
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036011481	463434092	/nfs/dbraw/zinc/43/40/92/463434092.db2.gz	SJNRNHYYPOMMRE-UHFFFAOYSA-N	-1	0	349.295	2.063	40	10		EECBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@@H](C)CC(C)(C)N2C	ZINC000113774361	462611932	/nfs/dbraw/zinc/61/19/32/462611932.db2.gz	QLNODCLDEDEFQZ-NSHDSACASA-N	-1	0	341.411	2.466	40	10		EECBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1	ZINC000408813196	466683625	/nfs/dbraw/zinc/68/36/25/466683625.db2.gz	OQPCKTVJFMRYPA-AUWJEWJLSA-N	-1	0	340.339	2.491	40	10		EECBRM
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(O)c1	ZINC000003213181	209977560	/nfs/dbraw/zinc/97/75/60/209977560.db2.gz	GURCFKFXBBLFCI-VZUCSPMQSA-N	-1	0	339.394	2.077	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(O)c1	ZINC000408937024	466684677	/nfs/dbraw/zinc/68/46/77/466684677.db2.gz	MCJUGJVLAGTPLE-FMIVXFBMSA-N	-1	0	326.283	2.198	40	10		EECBRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1	ZINC000390833428	467414331	/nfs/dbraw/zinc/41/43/31/467414331.db2.gz	HJOYBDHPFHILDJ-UHFFFAOYSA-N	-1	0	337.401	2.248	40	10		EECBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)C(C)=CC(C)(C)N2C	ZINC000113813606	301449357	/nfs/dbraw/zinc/44/93/57/301449357.db2.gz	HECKJENPJYSELS-UHFFFAOYSA-N	-1	0	339.395	2.376	40	10		EECBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(CC)C2=O)c(OC)c1	ZINC000005947730	462672975	/nfs/dbraw/zinc/67/29/75/462672975.db2.gz	ZYKKYEWLIRPDHZ-GXDHUFHOSA-N	-1	0	345.399	2.023	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc(F)c1	ZINC000016488318	462980670	/nfs/dbraw/zinc/98/06/70/462980670.db2.gz	LNKBAPSZIKSZRQ-UVTDQMKNSA-N	-1	0	325.299	2.405	40	10		EECBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)c1	ZINC000409016425	466684076	/nfs/dbraw/zinc/68/40/76/466684076.db2.gz	CLTCQRZYISTFBW-XNTDXEJSSA-N	-1	0	339.420	2.473	40	10		EECBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCCCC2)C1=O	ZINC000034237769	1352326146	/nfs/dbraw/zinc/32/61/46/1352326146.db2.gz	MIPUSYWMDXBNBY-ACCUITESSA-N	-1	0	328.372	2.293	40	10		EECBRM
CC[C@@H](C)N1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000102510947	1358303195	/nfs/dbraw/zinc/30/31/95/1358303195.db2.gz	QUAQHVLEEDCGSB-ZPBHHCQCSA-N	-1	0	347.396	2.134	40	10		EECBRM
Cc1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000408801288	257888312	/nfs/dbraw/zinc/88/83/12/257888312.db2.gz	USXSUXFCVQNHRA-UHFFFAOYSA-N	-1	0	336.347	2.323	40	10		EECBRM
CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000003208020	462612004	/nfs/dbraw/zinc/61/20/04/462612004.db2.gz	NFZYLQTVDPDFAD-WEVVVXLNSA-N	-1	0	326.355	2.188	40	10		EECBRM
O=C([O-])CN1C(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)SC1=S	ZINC000016779105	462989878	/nfs/dbraw/zinc/98/98/78/462989878.db2.gz	MLHHBBGANFHAJH-SNVBAGLBSA-N	-1	0	343.813	2.226	40	10		EECBRM
CCN(CC)c1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000409047196	466685236	/nfs/dbraw/zinc/68/52/36/466685236.db2.gz	NQYULEXXEBJCDV-DHZHZOJOSA-N	-1	0	338.205	2.476	40	10		EECBRM
CSCC[C@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000001588645	462583417	/nfs/dbraw/zinc/58/34/17/462583417.db2.gz	YFGHUVDXWBVVOS-LBPRGKRZSA-N	-1	0	337.397	2.103	40	10		EECBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1O	ZINC000000359874	518202566	/nfs/dbraw/zinc/20/25/66/518202566.db2.gz	OTQOTHOPTHDCOX-NTUHNPAUSA-N	-1	0	330.727	2.213	40	10		EECBRM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNC[C@H]1CCCO1	ZINC000103105679	1358325578	/nfs/dbraw/zinc/32/55/78/1358325578.db2.gz	CMKBJZFOQVSMLE-FQZGENGWSA-N	-1	0	347.415	2.448	40	10		EECBRM
Cc1cccc(COc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000408817622	466683474	/nfs/dbraw/zinc/68/34/74/466683474.db2.gz	VZYHCDZMSMVAKO-UHFFFAOYSA-N	-1	0	336.347	2.323	40	10		EECBRM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1OC	ZINC000013546920	286439200	/nfs/dbraw/zinc/43/92/00/286439200.db2.gz	ASFPSLCWIFKSAO-RAXLEYEMSA-N	-1	0	344.367	2.108	40	10		EECBRM
COc1ccc(N2CCN(c3ccc(N)cc3C(=O)[O-])CC2)cc1	ZINC000324393097	466646396	/nfs/dbraw/zinc/64/63/96/466646396.db2.gz	QTHTYHWOTMOOOA-UHFFFAOYSA-N	-1	0	327.384	2.302	40	10		EECBRM
C[C@H](NC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O)c1ccccc1	ZINC000408547116	466681107	/nfs/dbraw/zinc/68/11/07/466681107.db2.gz	ZSKLJFZTHAIDQT-GQVHDAKQSA-N	-1	0	339.351	2.093	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000408810629	466683426	/nfs/dbraw/zinc/68/34/26/466683426.db2.gz	JIHDMLVPZQLSFX-XNTDXEJSSA-N	-1	0	338.319	2.067	40	10		EECBRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000390833883	467414424	/nfs/dbraw/zinc/41/44/24/467414424.db2.gz	OKXRQQGJJCQSNM-UHFFFAOYSA-N	-1	0	336.325	2.304	40	10		EECBRM
Cc1cccc(COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)c1	ZINC000408799330	257888595	/nfs/dbraw/zinc/88/85/95/257888595.db2.gz	KLVCTVWNYOPYNI-UHFFFAOYSA-N	-1	0	336.347	2.323	40	10		EECBRM
CN(C)n1c([O-])c(C(=O)Nc2cccc3ccccc32)sc1=S	ZINC000005707084	289227641	/nfs/dbraw/zinc/22/76/41/289227641.db2.gz	MSJVQRJAOBVRGM-ZDUSSCGKSA-N	-1	0	345.449	2.484	40	10		EECBRM
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000058865568	463628641	/nfs/dbraw/zinc/62/86/41/463628641.db2.gz	SDAMUWRBWQIJAG-UHFFFAOYSA-N	-1	0	333.296	2.444	40	10		EECBRM
CCc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000408547113	466681240	/nfs/dbraw/zinc/68/12/40/466681240.db2.gz	ZRYPFOMAYPEZMB-GDNBJRDFSA-N	-1	0	339.351	2.416	40	10		EECBRM
O=C([O-])C(C1C(=O)c2ccccc2C1=O)C1C(=O)c2ccccc2C1=O	ZINC000100926874	304027099	/nfs/dbraw/zinc/02/70/99/304027099.db2.gz	VRWAQWUCMVPRHV-UHFFFAOYSA-N	-1	0	348.310	2.078	40	10		EECBRM
O=C([O-])CCN1C(=O)/C(=C/c2cccc3c2OCO3)SC1=S	ZINC000026840962	212536677	/nfs/dbraw/zinc/53/66/77/212536677.db2.gz	DZFNZYZRSNSHMN-POHAHGRESA-N	-1	0	337.378	2.091	40	10		EECBRM
CCc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000107899402	463586161	/nfs/dbraw/zinc/58/61/61/463586161.db2.gz	DGHRQLBHWXEYIS-GDNBJRDFSA-N	-1	0	339.351	2.416	40	10		EECBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1OCC#N	ZINC000108259568	463593484	/nfs/dbraw/zinc/59/34/84/463593484.db2.gz	LEUHCPLHHYOKRS-QINSGFPZSA-N	-1	0	349.346	2.059	40	10		EECBRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)SC1=S	ZINC000047080737	462742314	/nfs/dbraw/zinc/74/23/14/462742314.db2.gz	GUAOTGDAWLMEPQ-WTKPLQERSA-N	-1	0	329.786	2.331	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1	ZINC000408947321	466684091	/nfs/dbraw/zinc/68/40/91/466684091.db2.gz	BYYYWSOJEBOUQJ-MDWZMJQESA-N	-1	0	336.303	2.082	40	10		EECBRM
COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1	ZINC000013546925	462896092	/nfs/dbraw/zinc/89/60/92/462896092.db2.gz	PJZGSJGRQIEZNW-UVTDQMKNSA-N	-1	0	344.367	2.108	40	10		EECBRM
COc1c([O-])c2c(O)cc(-c3ccc(O)c(O)c3)oc-2c(OC)c1=O	ZINC000014437288	462927750	/nfs/dbraw/zinc/92/77/50/462927750.db2.gz	GLMWHQIFJIURES-UHFFFAOYSA-N	-1	0	346.291	2.300	40	10	biogenic,in-vitro	EECBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000033896372	463425420	/nfs/dbraw/zinc/42/54/20/463425420.db2.gz	HBYQWQBRACAEGZ-XNTDXEJSSA-N	-1	0	340.335	2.340	40	10		EECBRM
Cn1c(=O)c(C2=NNC(=O)C2=Cc2ccccc2)c([O-])c2ccccc21	ZINC000100260981	463373464	/nfs/dbraw/zinc/37/34/64/463373464.db2.gz	BBKZAFJRJSJCHZ-KAMYIIQDSA-N	-1	0	345.358	2.162	40	10		EECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O	ZINC000409016132	466684266	/nfs/dbraw/zinc/68/42/66/466684266.db2.gz	CNEPQNGQTOGOII-GXDHUFHOSA-N	-1	0	343.383	2.478	40	10		EECBRM
CC(C)NC=C1C(=O)[N-]C(=S)N(c2ccc(F)c(Cl)c2)C1=O	ZINC000105304541	463449118	/nfs/dbraw/zinc/44/91/18/463449118.db2.gz	SECUKHWHMXOKSP-TWGQIWQCSA-N	-1	0	341.795	2.109	40	10		EECBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000006948804	462714321	/nfs/dbraw/zinc/71/43/21/462714321.db2.gz	BMZFZFBMFZJRSN-PTNGSMBKSA-N	-1	0	327.384	2.157	40	10		EECBRM
Cc1ccc(COc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1	ZINC000408882202	466683063	/nfs/dbraw/zinc/68/30/63/466683063.db2.gz	NYCICPZDUDAVBL-UHFFFAOYSA-N	-1	0	336.347	2.323	40	10		EECBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccoc2)C1=O	ZINC000409228881	466686567	/nfs/dbraw/zinc/68/65/67/466686567.db2.gz	GOGGBODUSJZCAA-FMIVXFBMSA-N	-1	0	326.308	2.345	40	10		EECBRM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000005722823	462667222	/nfs/dbraw/zinc/66/72/22/462667222.db2.gz	VMOGNRHIPUOQQA-VSUWBIFXSA-N	-1	0	338.366	2.269	40	10		EECBRM
COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)cc1	ZINC000409393119	466687806	/nfs/dbraw/zinc/68/78/06/466687806.db2.gz	PCKVCZVJZIXFRF-PCSFBJKQSA-N	-1	0	349.346	2.313	40	10		EECBRM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1	ZINC000003155052	462611398	/nfs/dbraw/zinc/61/13/98/462611398.db2.gz	BZFMEMPURDZCCH-UHFFFAOYSA-N	-1	0	330.083	2.491	40	10		EECBRM
CC[C@H](C)N1C(=O)C(=CNc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000102510953	1358303206	/nfs/dbraw/zinc/30/32/06/1358303206.db2.gz	QUAQHVLEEDCGSB-RILYUOAZSA-N	-1	0	347.396	2.134	40	10		EECBRM
CN1C(=O)C(=Cc2cc(Cl)cc(Cl)c2[O-])C(=O)N(C)C1=S	ZINC000059139211	463640073	/nfs/dbraw/zinc/64/00/73/463640073.db2.gz	ASHNIXREZLSPGX-UHFFFAOYSA-N	-1	0	345.207	2.298	40	10		EECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccccn3)C2=O)cc1C	ZINC000408534363	466680437	/nfs/dbraw/zinc/68/04/37/466680437.db2.gz	QQNAUDWLPUDCRM-GXDHUFHOSA-N	-1	0	336.351	2.277	40	10		EECBRM
CC(=O)Nc1cc(/N=N/c2ccc(N)cc2N)cc(S(=O)(=O)[O-])c1	ZINC000013403070	462891741	/nfs/dbraw/zinc/89/17/41/462891741.db2.gz	VEXXCIOSFSLTGM-VHEBQXMUSA-N	-1	0	349.372	2.472	40	10		EECBRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000409407287	466687366	/nfs/dbraw/zinc/68/73/66/466687366.db2.gz	FBLRUIQGIJQIRK-UHFFFAOYSA-N	-1	0	332.356	2.014	40	10		EECBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1O	ZINC000000987357	462575298	/nfs/dbraw/zinc/57/52/98/462575298.db2.gz	ILBDXQADUWUWAD-AWNIVKPZSA-N	-1	0	330.727	2.213	40	10		EECBRM
O=C([O-])CN1C(=O)[C@H](CC(=O)c2ccc(Cl)cc2)SC1=S	ZINC000016779104	462989515	/nfs/dbraw/zinc/98/95/15/462989515.db2.gz	MLHHBBGANFHAJH-JTQLQIEISA-N	-1	0	343.813	2.226	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c(C)c1	ZINC000409393835	466687944	/nfs/dbraw/zinc/68/79/44/466687944.db2.gz	SQBJNQQUBLIIFB-XNTDXEJSSA-N	-1	0	337.335	2.065	40	10		EECBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000004723769	462637048	/nfs/dbraw/zinc/63/70/48/462637048.db2.gz	PYMMTYDMWLMNHF-RIYZIHGNSA-N	-1	0	342.351	2.363	40	10		EECBRM
CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)CC(C(=O)[O-])=N2	ZINC000102334226	219195094	/nfs/dbraw/zinc/19/50/94/219195094.db2.gz	XETPDRKOWCQWHF-LBPRGKRZSA-N	-1	0	331.401	2.049	40	10		EECBRM
CCN1c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2C(C)=CC1(C)C	ZINC000113818815	462613540	/nfs/dbraw/zinc/61/35/40/462613540.db2.gz	FRBXHPNQOIFWIH-UHFFFAOYSA-N	-1	0	339.395	2.458	40	10		EECBRM
CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1	ZINC000059427069	463643417	/nfs/dbraw/zinc/64/34/17/463643417.db2.gz	JQUWDTCLARPKRY-SXGWCWSVSA-N	-1	0	339.351	2.200	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/N1CCCCC1	ZINC000408531943	466680356	/nfs/dbraw/zinc/68/03/56/466680356.db2.gz	PEVAGEBRVQLEQN-ZHACJKMWSA-N	-1	0	333.775	2.293	40	10		EECBRM
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1	ZINC000408840720	466682907	/nfs/dbraw/zinc/68/29/07/466682907.db2.gz	FEQOHAUMPCVJSH-SXGWCWSVSA-N	-1	0	338.367	2.233	40	10		EECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408943170	466684308	/nfs/dbraw/zinc/68/43/08/466684308.db2.gz	YIZXSZROXBHHRT-SDNWHVSQSA-N	-1	0	325.393	2.339	40	10		EECBRM
CC1=CC(C)(C)N(C)c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc21	ZINC000113813097	462613303	/nfs/dbraw/zinc/61/33/03/462613303.db2.gz	OIOZDBNGYGXGIO-UHFFFAOYSA-N	-1	0	325.368	2.068	40	10		EECBRM
CCc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)cc1	ZINC000409121943	466685661	/nfs/dbraw/zinc/68/56/61/466685661.db2.gz	ZHLXKGJDQXMOKT-RVDMUPIBSA-N	-1	0	339.420	2.419	40	10		EECBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)ccc1O	ZINC000004992964	210352478	/nfs/dbraw/zinc/35/24/78/210352478.db2.gz	ZDEVVWDJMCNBEG-UKTHLTGXSA-N	-1	0	344.367	2.195	40	10		EECBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000408797563	257888411	/nfs/dbraw/zinc/88/84/11/257888411.db2.gz	GQYJLHQGWIDLGA-GXDHUFHOSA-N	-1	0	338.319	2.067	40	10		EECBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)c1	ZINC000001250012	1349877556	/nfs/dbraw/zinc/87/75/56/1349877556.db2.gz	HWWQUCRRKWJXOJ-SDNWHVSQSA-N	-1	0	328.372	2.293	40	10		EECBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1OC	ZINC000004999332	210355547	/nfs/dbraw/zinc/35/55/47/210355547.db2.gz	ASFPSLCWIFKSAO-JLHYYAGUSA-N	-1	0	344.367	2.108	40	10		EECBRM
CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccc2nsnc21	ZINC000252502383	464972432	/nfs/dbraw/zinc/97/24/32/464972432.db2.gz	UPKUNIIKDAWWSM-UHFFFAOYSA-N	-1	0	349.393	2.215	40	10		EECBRM
O=C([O-])CN1C(=O)C(=Cc2cc3ccccc3[nH]c2=O)SC1=S	ZINC000005387712	462656972	/nfs/dbraw/zinc/65/69/72/462656972.db2.gz	RTJSCDWWCQRTLU-WDZFZDKYSA-N	-1	0	346.389	2.226	40	10		EECBRM
Cc1cccc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c1	ZINC000005371142	462657388	/nfs/dbraw/zinc/65/73/88/462657388.db2.gz	JYDPKNJEOYQMES-FLIBITNWSA-N	-1	0	343.451	2.084	40	10		EECBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1C	ZINC000408774684	466683513	/nfs/dbraw/zinc/68/35/13/466683513.db2.gz	CMHFNFNUABMSLL-XNTDXEJSSA-N	-1	0	339.420	2.473	40	10		EECBRM
COc1ccsc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000390834204	467414457	/nfs/dbraw/zinc/41/44/57/467414457.db2.gz	UMWZMUABMNWUEO-UHFFFAOYSA-N	-1	0	327.383	2.466	40	10		EECBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408964355	466684406	/nfs/dbraw/zinc/68/44/06/466684406.db2.gz	GIWSMBNKNUXNOX-GXDHUFHOSA-N	-1	0	327.315	2.314	40	10		EECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3CCCO3)C2=O)cc1C	ZINC000102486983	1358302710	/nfs/dbraw/zinc/30/27/10/1358302710.db2.gz	INCPQAIZLAVDNT-MKRLJBPISA-N	-1	0	343.383	2.379	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(O)c1	ZINC000408880760	257887099	/nfs/dbraw/zinc/88/70/99/257887099.db2.gz	IROUKDPRAUJJDC-NTEUORMPSA-N	-1	0	338.319	2.067	40	10		EECBRM
Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)c(C)c1	ZINC000409107727	466685854	/nfs/dbraw/zinc/68/58/54/466685854.db2.gz	QGNYAUJDOLRCLB-GXDHUFHOSA-N	-1	0	339.420	2.473	40	10		EECBRM
Nc1ccc(CNC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000001748613	462586622	/nfs/dbraw/zinc/58/66/22/462586622.db2.gz	LPABCXCMCRLRMY-UHFFFAOYSA-N	-1	0	334.759	2.316	40	10		EECBRM
CC(=O)Nc1cc(/N=N\c2ccc(N)cc2N)cc(S(=O)(=O)[O-])c1	ZINC000100368822	463373482	/nfs/dbraw/zinc/37/34/82/463373482.db2.gz	VEXXCIOSFSLTGM-HNENSFHCSA-N	-1	0	349.372	2.472	40	10		EECBRM
COC(=O)c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000058822607	463624583	/nfs/dbraw/zinc/62/45/83/463624583.db2.gz	RSEYGQNCFYWWLX-UHFFFAOYSA-N	-1	0	340.291	2.323	40	10		EECBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	ZINC000005569774	462663080	/nfs/dbraw/zinc/66/30/80/462663080.db2.gz	KWHIQTBSZBAKRD-XFFZJAGNSA-N	-1	0	333.687	2.303	40	10		EECBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(O)c2)C1=O	ZINC000005884866	462670663	/nfs/dbraw/zinc/67/06/63/462670663.db2.gz	YJIRVMRHZHNZPX-WQLSENKSSA-N	-1	0	338.319	2.073	40	10		EECBRM
CSc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000225447491	241868287	/nfs/dbraw/zinc/86/82/87/241868287.db2.gz	YKOGCZMVZBRINT-UHFFFAOYSA-N	-1	0	349.384	2.377	40	10		EECBRM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000006924766	210744629	/nfs/dbraw/zinc/74/46/29/210744629.db2.gz	ATYWSRHLWWSXEN-PTNGSMBKSA-N	-1	0	337.335	2.274	40	10		EECBRM
CSCC[C@@H]([NH2+]Cc1c([O-])ccc2c(C)cc(=O)oc21)C(=O)[O-]	ZINC000017142218	295601907	/nfs/dbraw/zinc/60/19/07/295601907.db2.gz	YFGHUVDXWBVVOS-GFCCVEGCSA-N	-1	0	337.397	2.103	40	10		EECBRM
Cc1ccc(C)c(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1	ZINC000109115253	463633210	/nfs/dbraw/zinc/63/32/10/463633210.db2.gz	YMLBPQFTGXZOIX-ZROIWOOFSA-N	-1	0	339.351	2.471	40	10		EECBRM
Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000409100850	466686029	/nfs/dbraw/zinc/68/60/29/466686029.db2.gz	WYSQQPJTSNENIZ-UKTHLTGXSA-N	-1	0	329.743	2.345	40	10		EECBRM
Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1	ZINC000408594877	466682124	/nfs/dbraw/zinc/68/21/24/466682124.db2.gz	PPIFZUQHKLXRAI-DHDCSXOGSA-N	-1	0	339.351	2.071	40	10		EECBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)c1	ZINC000409240451	466686403	/nfs/dbraw/zinc/68/64/03/466686403.db2.gz	TZZQVAGAZAOEFL-GXDHUFHOSA-N	-1	0	339.420	2.473	40	10		EECBRM
CNc1[n-]n2c(nc(C)cc2=O)c1C(=O)Nc1ccc(OC)cc1	ZINC000101636340	219149201	/nfs/dbraw/zinc/14/92/01/219149201.db2.gz	NHQMRBXADPQUAN-UHFFFAOYSA-N	-1	0	327.344	2.046	40	10		EECBRM
O=C([O-])c1ccc(CN2CCN(c3ccc4c(c3)OCO4)CC2)o1	ZINC000008702276	462792290	/nfs/dbraw/zinc/79/22/90/462792290.db2.gz	CEJNQDRYXKDEHJ-UHFFFAOYSA-N	-1	0	330.340	2.029	40	10		EECBRM
COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1[N+](=O)[O-]	ZINC000033551728	463421889	/nfs/dbraw/zinc/42/18/89/463421889.db2.gz	FVEWJLAHBKLLFT-RAXLEYEMSA-N	-1	0	339.307	2.065	40	10		EECBRM
O=C([O-])CN1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S	ZINC000001107666	462577310	/nfs/dbraw/zinc/57/73/10/462577310.db2.gz	IQHZUPWJYLGIFN-WZUFQYTHSA-N	-1	0	347.373	2.079	40	10		EECBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccccn3)C2=O)c1	ZINC000408536266	466680003	/nfs/dbraw/zinc/68/00/03/466680003.db2.gz	VPZWHVUQIUXICI-JLHYYAGUSA-N	-1	0	336.351	2.277	40	10		EECBRM
C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc21	ZINC000113774019	462612107	/nfs/dbraw/zinc/61/21/07/462612107.db2.gz	HRBDSAMIPUKELJ-SNVBAGLBSA-N	-1	0	327.384	2.158	40	10		EECBRM
Cc1cccc(N2C(=O)/C(=C/c3cccn3C)C(=O)[N-]C2=S)c1C	ZINC000409106811	466685883	/nfs/dbraw/zinc/68/58/83/466685883.db2.gz	PJCKZADNUSUADI-GXDHUFHOSA-N	-1	0	339.420	2.473	40	10		EECBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1O	ZINC000408892610	466683461	/nfs/dbraw/zinc/68/34/61/466683461.db2.gz	BMKJPYFAADYGHY-LUAWRHEFSA-N	-1	0	326.283	2.198	40	10		EECBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1	ZINC000034236462	1352326354	/nfs/dbraw/zinc/32/63/54/1352326354.db2.gz	XIRVGFOLUYDPMF-SDNWHVSQSA-N	-1	0	328.372	2.293	40	10		EECBRM
CCCCN1C(=O)[N-]C(=O)C(=CNCc2ccc3c(c2)OCO3)C1=O	ZINC000102536212	1358303386	/nfs/dbraw/zinc/30/33/86/1358303386.db2.gz	ZGAXVDALPCOIDD-XFXZXTDPSA-N	-1	0	345.355	2.108	40	10		EECBRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3ccccc3F)n2)cn1	ZINC000096433495	463261925	/nfs/dbraw/zinc/26/19/25/463261925.db2.gz	BILDNNKDZIIXNT-UHFFFAOYSA-N	-1	0	338.389	2.484	40	10		EECBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000408741155	466682876	/nfs/dbraw/zinc/68/28/76/466682876.db2.gz	OEUQEDMTMQOTAO-UHFFFAOYSA-N	-1	0	337.379	2.460	40	10		EECBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C	ZINC000408547110	466680913	/nfs/dbraw/zinc/68/09/13/466680913.db2.gz	YJHHWNXCCSNQGY-DHDCSXOGSA-N	-1	0	339.351	2.471	40	10		EECBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C	ZINC000408903757	466683112	/nfs/dbraw/zinc/68/31/12/466683112.db2.gz	YMEIBYXBSAEFTN-OQLLNIDSSA-N	-1	0	341.342	2.447	40	10		EECBRM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000005721581	295802465	/nfs/dbraw/zinc/80/24/65/295802465.db2.gz	VMOGNRHIPUOQQA-FSEMZKDTSA-N	-1	0	338.366	2.269	40	10		EECBRM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000000340101	462556521	/nfs/dbraw/zinc/55/65/21/462556521.db2.gz	WZWUUHAONJZJER-XNTDXEJSSA-N	-1	0	338.363	2.474	40	10		EECBRM
[NH3+][C@@H](CC(=O)[O-])c1cc(Br)cc(Br)c1[O-]	ZINC000044214815	463670429	/nfs/dbraw/zinc/67/04/29/463670429.db2.gz	PXJBFNMEGGQVDG-ZETCQYMHSA-N	-1	0	338.983	2.392	40	10		EECBRM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)cc1	ZINC000408917539	466684053	/nfs/dbraw/zinc/68/40/53/466684053.db2.gz	WQKMANORIIJIJV-ZROIWOOFSA-N	-1	0	342.351	2.363	40	10		EECBRM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000005322763	462655231	/nfs/dbraw/zinc/65/52/31/462655231.db2.gz	CXHPPIRLFWEXPJ-YRNVUSSQSA-N	-1	0	342.380	2.253	40	10		EECBRM
Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(F)c3)n2)cn1	ZINC000096433496	463262287	/nfs/dbraw/zinc/26/22/87/463262287.db2.gz	FAQPGOPCWVUFGP-UHFFFAOYSA-N	-1	0	338.389	2.484	40	10		EECBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNO)C1=O	ZINC000016282414	301071504	/nfs/dbraw/zinc/07/15/04/301071504.db2.gz	DFDUYVXPOBKCPF-YVMONPNESA-N	-1	0	340.133	2.043	40	10		EECBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1	ZINC000409192581	466687177	/nfs/dbraw/zinc/68/71/77/466687177.db2.gz	YUEMIFPVNBINER-MDWZMJQESA-N	-1	0	326.308	2.476	40	10		EECBRM
COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000409400947	466687444	/nfs/dbraw/zinc/68/74/44/466687444.db2.gz	WGYRKWLGJMNQDZ-UVTDQMKNSA-N	-1	0	339.307	2.065	40	10		EECBRM
Cc1cc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1F	ZINC000408547011	466679888	/nfs/dbraw/zinc/67/98/88/466679888.db2.gz	CCQAAGLGYKVJCN-JYRVWZFOSA-N	-1	0	343.314	2.302	40	10		EECBRM
Cc1ccccc1/C=C1\SC(=S)N(CCS(=O)(=O)[O-])C1=O	ZINC000005371117	462657731	/nfs/dbraw/zinc/65/77/31/462657731.db2.gz	UEIJUKZCXSIKFJ-FLIBITNWSA-N	-1	0	343.451	2.084	40	10		EECBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@H](C)CC(C)(C)N2C	ZINC000113774358	292010347	/nfs/dbraw/zinc/01/03/47/292010347.db2.gz	QLNODCLDEDEFQZ-LLVKDONJSA-N	-1	0	341.411	2.466	40	10		EECBRM