smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O	ZINC000020765304	518932607	/nfs/dbraw/zinc/93/26/07/518932607.db2.gz	VUFVFIZSYUUYHU-UHFFFAOYSA-N	-1	1	439.537	3.392	50	30		IGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000012468694	523573197	/nfs/dbraw/zinc/57/31/97/523573197.db2.gz	WUQMOCJWYXPFOO-FQEVSTJZSA-N	-1	1	447.447	3.285	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000012468694	523573207	/nfs/dbraw/zinc/57/32/07/523573207.db2.gz	WUQMOCJWYXPFOO-FQEVSTJZSA-N	-1	1	447.447	3.285	50	30		IGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccnc1	ZINC000013689037	524295270	/nfs/dbraw/zinc/29/52/70/524295270.db2.gz	KAUVYKUXQWMRKC-INIZCTEOSA-N	-1	1	426.429	3.172	50	30		IGEAMM
O=[N+]([O-])c1cccc(C=N[N-]c2nc3nc4ccc(Br)cc4c-3[nH][nH+]2)c1[O-]	ZINC000035896918	527384336	/nfs/dbraw/zinc/38/43/36/527384336.db2.gz	KFSXOQKAMXDAAC-CNHKJKLMSA-N	-1	1	428.206	3.328	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020309159	557007221	/nfs/dbraw/zinc/00/72/21/557007221.db2.gz	VZFMRKIFWXVXPG-IBGZPJMESA-N	-1	1	430.888	3.194	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c(OC)c1	ZINC000018054688	557233791	/nfs/dbraw/zinc/23/37/91/557233791.db2.gz	FYVUOMABKFKUCF-LJQANCHMSA-N	-1	1	445.855	3.410	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000101629070	557291920	/nfs/dbraw/zinc/29/19/20/557291920.db2.gz	RHGPSNPDLPOBFP-PMACEKPBSA-N	-1	1	437.521	3.343	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC	ZINC000102696981	557365092	/nfs/dbraw/zinc/36/50/92/557365092.db2.gz	QTWLQYYAUJEGNI-GHNGSUTGSA-N	-1	1	440.408	3.228	50	30		IGEAMM
COc1ccccc1[C@H]1C(C(=O)c2cc(Cl)ccc2[O-])=C(O)C(=O)N1CCN(C)C	ZINC000020309168	569359572	/nfs/dbraw/zinc/35/95/72/569359572.db2.gz	ZTQLNSKCYQJULF-IBGZPJMESA-N	-1	1	430.888	3.194	50	30		IGEAMM
N#Cc1cccnc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1	ZINC000032095712	569459852	/nfs/dbraw/zinc/45/98/52/569459852.db2.gz	YJYZLYKFTIZUAE-SFHVURJKSA-N	-1	1	440.301	3.145	50	30		IGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000009089468	569500957	/nfs/dbraw/zinc/50/09/57/569500957.db2.gz	QXKWCDNWFUXCDG-HXUWFJFHSA-N	-1	1	434.473	3.117	50	30		IGEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009110586	569502238	/nfs/dbraw/zinc/50/22/38/569502238.db2.gz	WVBVGWCGUVSEIL-QGZVFWFLSA-N	-1	1	430.254	3.420	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009177763	569509677	/nfs/dbraw/zinc/50/96/77/569509677.db2.gz	ZIXKAQVGUOOHMX-GROYHEBESA-N	-1	1	430.800	3.145	50	30		IGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000021712951	518919080	/nfs/dbraw/zinc/91/90/80/518919080.db2.gz	PBLJLRNLKXFORY-FQEVSTJZSA-N	-1	1	441.553	3.011	50	30		IGEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1	ZINC000040139104	519838797	/nfs/dbraw/zinc/83/87/97/519838797.db2.gz	LUZPMWXSTZUEOR-XDOYNYLZSA-N	-1	1	435.571	3.424	50	30		IGEAMM
CCCCc1c(C)nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3ccco3)nn2c1=O	ZINC000101878763	557304619	/nfs/dbraw/zinc/30/46/19/557304619.db2.gz	FZYVBVPMOYIWOA-UHFFFAOYSA-N	-1	1	430.468	3.380	50	30		IGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102804755	557386985	/nfs/dbraw/zinc/38/69/85/557386985.db2.gz	AQVDBZIIJZCRKU-NHFXJNLRSA-N	-1	1	448.431	3.405	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102798300	557388963	/nfs/dbraw/zinc/38/89/63/557388963.db2.gz	XNMQMBMGZPIJFE-GHNGSUTGSA-N	-1	1	437.477	3.490	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000102860718	557401447	/nfs/dbraw/zinc/40/14/47/557401447.db2.gz	OOVKWCYJZZWDPM-HVESIFNPSA-N	-1	1	441.440	3.321	50	30		IGEAMM
Cc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c(C)n1-c1ccc(Br)cc1	ZINC000033499000	557402078	/nfs/dbraw/zinc/40/20/78/557402078.db2.gz	NKCLVLBBZOEKPB-FULVDIRDSA-N	-1	1	449.330	3.253	50	30		IGEAMM
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104066965	557449822	/nfs/dbraw/zinc/44/98/22/557449822.db2.gz	FEXSEHXAMOZUDM-GROYHEBESA-N	-1	1	441.440	3.408	50	30		IGEAMM
CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000006016477	568740103	/nfs/dbraw/zinc/74/01/03/568740103.db2.gz	QCKQJGORDHHCSC-OAHLLOKOSA-N	-1	1	429.479	3.487	50	30		IGEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000006239638	568880658	/nfs/dbraw/zinc/88/06/58/568880658.db2.gz	CXJUJNFIVOJWHZ-WOOAAIBNSA-N	-1	1	445.855	3.254	50	30		IGEAMM
CC(=NNc1nnc(SCC(=O)NC2C3CC4CC(C3)CC2C4)[n-]1)c1ccccn1	ZINC000253476396	569208735	/nfs/dbraw/zinc/20/87/35/569208735.db2.gz	HQDHNNCGYJORMA-UHFFFAOYSA-N	-1	1	425.562	3.069	50	30		IGEAMM
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217864758	569454226	/nfs/dbraw/zinc/45/42/26/569454226.db2.gz	VNWGWENZXDJDJR-HNNXBMFYSA-N	-1	1	426.421	3.250	50	30		IGEAMM
N#Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1	ZINC000032095714	569459825	/nfs/dbraw/zinc/45/98/25/569459825.db2.gz	YJYZLYKFTIZUAE-GOSISDBHSA-N	-1	1	440.301	3.145	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000008438522	569464364	/nfs/dbraw/zinc/46/43/64/569464364.db2.gz	FNGARSWKHMIAJV-NRFANRHFSA-N	-1	1	439.464	3.455	50	30		IGEAMM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1	ZINC000013058310	522041000	/nfs/dbraw/zinc/04/10/00/522041000.db2.gz	ZLHNYIYYZFGWLD-HNNXBMFYSA-N	-1	1	435.571	3.472	50	30		IGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000006507683	556092462	/nfs/dbraw/zinc/09/24/62/556092462.db2.gz	YIUFVIZOCOHLIG-TYLRVVQJSA-N	-1	1	445.472	3.200	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000032975661	556600417	/nfs/dbraw/zinc/60/04/17/556600417.db2.gz	AOLKGVKQKRHVNY-WOJBJXKFSA-N	-1	1	437.521	3.343	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)s1	ZINC000102666791	557304903	/nfs/dbraw/zinc/30/49/03/557304903.db2.gz	FWQNXORLGXICFD-JJWPQVRESA-N	-1	1	434.477	3.191	50	30		IGEAMM
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])nc3cc(C)ccn3c2=O)cc1OC	ZINC000205945715	557367827	/nfs/dbraw/zinc/36/78/27/557367827.db2.gz	LJODTQLTZPWCTD-QGZVFWFLSA-N	-1	1	438.480	3.367	50	30		IGEAMM
Cc1nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3ccccc3Cl)nn2c(=O)c1C	ZINC000064814022	568963884	/nfs/dbraw/zinc/96/38/84/568963884.db2.gz	UVLOOWUXPUAIMV-UHFFFAOYSA-N	-1	1	432.871	3.407	50	30		IGEAMM
N#Cc1cc2c(nc1N1CCN([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC1)CCCC2	ZINC000032104667	569460170	/nfs/dbraw/zinc/46/01/70/569460170.db2.gz	ZFJXPOVWTOFMKG-QFIPXVFZSA-N	-1	1	433.487	3.400	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccn2)cc1F	ZINC000013691116	523572731	/nfs/dbraw/zinc/57/27/31/523572731.db2.gz	LHFWXRVZFYVJCC-MRXNPFEDSA-N	-1	1	426.429	3.172	50	30		IGEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000013424154	524909908	/nfs/dbraw/zinc/90/99/08/524909908.db2.gz	VUAJKJXOSQYKCZ-FQEVSTJZSA-N	-1	1	425.437	3.065	50	30		IGEAMM
N#CC(=C([N-]S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1	ZINC000012559808	526489582	/nfs/dbraw/zinc/48/95/82/526489582.db2.gz	SZYPUCCLIISOFX-DFVMWDSZSA-N	-1	1	434.502	3.470	50	30		IGEAMM
O=S(=O)(N=C1CCCCCN1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000013074306	527160433	/nfs/dbraw/zinc/16/04/33/527160433.db2.gz	ALSQVHOMWMIYMN-UHFFFAOYSA-N	-1	1	441.962	3.392	50	30		IGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1Cl	ZINC000006624935	556098820	/nfs/dbraw/zinc/09/88/20/556098820.db2.gz	AZMYAXYNUCPYRF-MMXTWKRJSA-N	-1	1	447.900	3.324	50	30		IGEAMM
Cc1cc(Br)cc2c1N(C)C(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008664634	556197601	/nfs/dbraw/zinc/19/76/01/556197601.db2.gz	AMOGLURKXMKJGZ-RGEXLXHISA-N	-1	1	434.206	3.367	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC	ZINC000008743084	556207633	/nfs/dbraw/zinc/20/76/33/556207633.db2.gz	LBXCRNHKUYLZRG-SFHVURJKSA-N	-1	1	440.408	3.385	50	30		IGEAMM
CN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2[O-])c2ccccc2S1(=O)=O	ZINC000013896066	556329310	/nfs/dbraw/zinc/32/93/10/556329310.db2.gz	IXEYTVOZSVTBEI-UHFFFAOYSA-N	-1	1	434.473	3.008	50	30		IGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102434228	557322522	/nfs/dbraw/zinc/32/25/22/557322522.db2.gz	OTURDENQGARQHN-YDJIHCHBSA-N	-1	1	447.447	3.129	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102434228	557322524	/nfs/dbraw/zinc/32/25/24/557322524.db2.gz	OTURDENQGARQHN-YDJIHCHBSA-N	-1	1	447.447	3.129	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccn2)cc1F	ZINC000102735811	557373318	/nfs/dbraw/zinc/37/33/18/557373318.db2.gz	YKQMAXICVYCQET-UYTDBDHRSA-N	-1	1	426.429	3.016	50	30		IGEAMM
COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c2c1	ZINC000032070123	569459157	/nfs/dbraw/zinc/45/91/57/569459157.db2.gz	CZNWIXVLRIYQOL-HSZRJFAPSA-N	-1	1	445.523	3.270	50	30		IGEAMM
N#CCCN(C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)c1ccccc1	ZINC000009640548	569555367	/nfs/dbraw/zinc/55/53/67/569555367.db2.gz	UGXMALUIQCTBIE-UHFFFAOYSA-N	-1	1	430.493	3.124	50	30		IGEAMM
N#Cc1c2c(sc1NC(=O)CSc1nnc(NN=Cc3cccs3)[n-]1)CCC2	ZINC000020479771	526531857	/nfs/dbraw/zinc/53/18/57/526531857.db2.gz	XGKXVRMTJLUYRT-UFWORHAWSA-N	-1	1	429.556	3.465	50	30		IGEAMM
N#Cc1ccccc1NC(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2	ZINC000021526177	526742740	/nfs/dbraw/zinc/74/27/40/526742740.db2.gz	LGXJIEXACWAORV-UHFFFAOYSA-N	-1	1	449.511	3.482	50	30		IGEAMM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000021548840	527161512	/nfs/dbraw/zinc/16/15/12/527161512.db2.gz	TWNGRIFFVOCZDQ-UHFFFAOYSA-N	-1	1	429.523	3.111	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OC(=O)c2cccc3ccccc32)NC1=O	ZINC000016115638	527632118	/nfs/dbraw/zinc/63/21/18/527632118.db2.gz	DRCUGHZIFJSNRI-BBMHEYIBSA-N	-1	1	447.472	3.455	50	30		IGEAMM
Cc1cc(=O)[n-]c(N/N=C/c2c(=O)n3cccc(C)c3nc2SCc2ccccc2)n1	ZINC000015634716	556539281	/nfs/dbraw/zinc/53/92/81/556539281.db2.gz	BOEQIURNKNCKLP-FSJBWODESA-N	-1	1	432.509	3.133	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)NC1=O	ZINC000016115518	556583892	/nfs/dbraw/zinc/58/38/92/556583892.db2.gz	PXJORQUMWIHSDB-HGFPGGDJSA-N	-1	1	435.864	3.454	50	30		IGEAMM
COc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(CCC3=CCCCC3)c2[O-])c(OC)c1	ZINC000017015499	556653067	/nfs/dbraw/zinc/65/30/67/556653067.db2.gz	SMPLARQGSHZJOF-PKNBQFBNSA-N	-1	1	426.469	3.046	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019883504	556937661	/nfs/dbraw/zinc/93/76/61/556937661.db2.gz	REZWJDQTDAKISV-KRWDZBQOSA-N	-1	1	430.800	3.301	50	30		IGEAMM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1	ZINC000027563929	557265531	/nfs/dbraw/zinc/26/55/31/557265531.db2.gz	VEOXMCZNWXKKNX-UHFFFAOYSA-N	-1	1	433.530	3.477	50	30		IGEAMM
CCCCNC([O-])=NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1	ZINC000027563929	557265533	/nfs/dbraw/zinc/26/55/33/557265533.db2.gz	VEOXMCZNWXKKNX-UHFFFAOYSA-N	-1	1	433.530	3.477	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)[N-]C1=S	ZINC000017150200	568851196	/nfs/dbraw/zinc/85/11/96/568851196.db2.gz	VJOCDRAEWHBVHP-WOJGMQOQSA-N	-1	1	437.521	3.002	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2cccs2)s1	ZINC000008845839	569478951	/nfs/dbraw/zinc/47/89/51/569478951.db2.gz	QBCJJILILSZGKL-MRXNPFEDSA-N	-1	1	441.490	3.462	50	30		IGEAMM
CC(=O)c1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(OCC#N)cc43)CC2)cc1	ZINC000040268728	518350900	/nfs/dbraw/zinc/35/09/00/518350900.db2.gz	FBDOSNCWISYLNX-HSZRJFAPSA-N	-1	1	432.480	3.221	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000013569735	525225295	/nfs/dbraw/zinc/22/52/95/525225295.db2.gz	YQWRTIFDFPTQSY-OAHLLOKOSA-N	-1	1	429.479	3.400	50	30		IGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1cccc(Cl)c1	ZINC000013896416	556329636	/nfs/dbraw/zinc/32/96/36/556329636.db2.gz	GZWPZEFQPQNJDX-KQFRHJRUSA-N	-1	1	447.900	3.324	50	30		IGEAMM
O=[N+]([O-])c1ccc([O-])c(C=N[N-]c2nc3nc4ccc(Br)cc4c-3[nH][nH+]2)c1	ZINC000016511588	556612994	/nfs/dbraw/zinc/61/29/94/556612994.db2.gz	VFULVKGLRRYEBX-CNHKJKLMSA-N	-1	1	428.206	3.328	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102723306	557369209	/nfs/dbraw/zinc/36/92/09/557369209.db2.gz	BIIXLXMQVYMCHR-SXWSKBOKSA-N	-1	1	428.451	3.443	50	30		IGEAMM
CCOc1nc(NC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1	ZINC000001075582	562920271	/nfs/dbraw/zinc/92/02/71/562920271.db2.gz	KHRPTKLPUXQSDU-UHFFFAOYSA-N	-1	1	433.877	3.306	50	30		IGEAMM
CCOc1nc(NC([O-])=NS(=O)(=O)c2cccc(Cl)c2)nc(-c2ccccc2)n1	ZINC000001075582	562920273	/nfs/dbraw/zinc/92/02/73/562920273.db2.gz	KHRPTKLPUXQSDU-UHFFFAOYSA-N	-1	1	433.877	3.306	50	30		IGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000008817408	569476843	/nfs/dbraw/zinc/47/68/43/569476843.db2.gz	ATIMNFIFILKGQM-GHNGSUTGSA-N	-1	1	429.314	3.432	50	30		IGEAMM
C=CCN1C(=O)[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(CCCC)[C@H]2CCC)C1=O	ZINC000009240861	569514648	/nfs/dbraw/zinc/51/46/48/569514648.db2.gz	IXRXHULXHKRONE-PGRDOPGGSA-N	-1	1	428.489	3.177	50	30		IGEAMM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1	ZINC000013058306	519045649	/nfs/dbraw/zinc/04/56/49/519045649.db2.gz	ZFKHDEAVCDRGCJ-UHFFFAOYSA-N	-1	1	435.571	3.256	50	30		IGEAMM
C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1[C@@H]1COc2ccccc2O1	ZINC000021163880	519231308	/nfs/dbraw/zinc/23/13/08/519231308.db2.gz	DKOSARJYUGPMHV-IBGZPJMESA-N	-1	1	425.466	3.363	50	30		IGEAMM
O=C(CSc1nc(N=NCc2cc(Cl)ccc2O)n[n-]1)c1ccc2c(c1)OCO2	ZINC000036610928	527050432	/nfs/dbraw/zinc/05/04/32/527050432.db2.gz	BYEDDRLQWPZUNN-IFRROFPPSA-N	-1	1	431.861	3.313	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCC)cc2Br)C(=O)[N-]C1=S	ZINC000002994366	557650346	/nfs/dbraw/zinc/65/03/46/557650346.db2.gz	WGMDZCYPQRDHGI-XYOKQWHBSA-N	-1	1	439.331	3.059	50	30		IGEAMM
C=CCN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006192615	568806046	/nfs/dbraw/zinc/80/60/46/568806046.db2.gz	MVRVVYVMKHBJFP-UNOMPAQXSA-N	-1	1	446.488	3.411	50	30		IGEAMM
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217786188	569453237	/nfs/dbraw/zinc/45/32/37/569453237.db2.gz	ORTXBKABLWCHPW-HNNXBMFYSA-N	-1	1	426.421	3.250	50	30		IGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1ccccc1Cl	ZINC000008722308	569471819	/nfs/dbraw/zinc/47/18/19/569471819.db2.gz	CBZYPRFDLJDZBN-CPHRPENTSA-N	-1	1	447.900	3.324	50	30		IGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1Cl	ZINC000015857579	556558277	/nfs/dbraw/zinc/55/82/77/556558277.db2.gz	AZMYAXYNUCPYRF-KQFRHJRUSA-N	-1	1	447.900	3.324	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(Br)cc1C)CC(=O)N2	ZINC000046074502	557030714	/nfs/dbraw/zinc/03/07/14/557030714.db2.gz	WQSJIHPDZJGPFN-NSHDSACASA-N	-1	1	449.330	3.183	50	30		IGEAMM
N#Cc1ccc(CSc2nc(CC(=O)NCCc3c[nH]c4ccccc34)cc(=O)[n-]2)cc1	ZINC000023243241	557121860	/nfs/dbraw/zinc/12/18/60/557121860.db2.gz	PQWNWEHZTYJIGQ-UHFFFAOYSA-N	-1	1	443.532	3.317	50	30		IGEAMM
COc1ccccc1[C@@H]1C(C(=O)c2cc(Cl)ccc2[O-])=C(O)C(=O)N1CCN(C)C	ZINC000020309170	569359635	/nfs/dbraw/zinc/35/96/35/569359635.db2.gz	ZTQLNSKCYQJULF-LJQANCHMSA-N	-1	1	430.888	3.194	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)NC1=O	ZINC000002917957	569425247	/nfs/dbraw/zinc/42/52/47/569425247.db2.gz	LMVCLTVTZNLAKI-NZYROCMPSA-N	-1	1	447.472	3.455	50	30		IGEAMM
COC(=O)CC(c1coc2ccc(OC)cc2c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217601255	569449721	/nfs/dbraw/zinc/44/97/21/569449721.db2.gz	AMBLMWRYLPVALX-HNNXBMFYSA-N	-1	1	434.400	3.340	50	30		IGEAMM
N#CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1	ZINC000032072159	569459253	/nfs/dbraw/zinc/45/92/53/569459253.db2.gz	DXMSSGUHLDQLJT-JOCHJYFZSA-N	-1	1	431.496	3.077	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000009280114	569518485	/nfs/dbraw/zinc/51/84/85/569518485.db2.gz	BRMOGWKRLLNDMX-GROYHEBESA-N	-1	1	430.800	3.145	50	30		IGEAMM
COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)NC(C)(C)C)[n-]1	ZINC000020467943	523491049	/nfs/dbraw/zinc/49/10/49/523491049.db2.gz	PYKWDPOTLBNKRH-QGMBQPNBSA-N	-1	1	441.355	3.029	50	30		IGEAMM
Cc1cc(=O)[n-]c(NN=C2c3ccccc3N(Cc3ccc(Br)cc3)C2=O)n1	ZINC000020615744	526119304	/nfs/dbraw/zinc/11/93/04/526119304.db2.gz	DJUSJIXGUBMBSI-MOHJPFBDSA-N	-1	1	438.285	3.204	50	30		IGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000033280346	557062846	/nfs/dbraw/zinc/06/28/46/557062846.db2.gz	AOZIOTGDCAUNJA-LJQANCHMSA-N	-1	1	447.944	3.048	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000102506536	557339872	/nfs/dbraw/zinc/33/98/72/557339872.db2.gz	HINRFFURXDCSFR-MRJHHRETSA-N	-1	1	439.464	3.299	50	30		IGEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccco2)nc1C	ZINC000102876943	557406517	/nfs/dbraw/zinc/40/65/17/557406517.db2.gz	PVUBLISDOAAJQK-SXWSKBOKSA-N	-1	1	428.422	3.441	50	30		IGEAMM
COC(=O)CC(c1cc2ccc(OC)cc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217651563	569450824	/nfs/dbraw/zinc/45/08/24/569450824.db2.gz	FSAWQMRHYMMSKD-MRXNPFEDSA-N	-1	1	433.416	3.075	50	30		IGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000008926773	569487323	/nfs/dbraw/zinc/48/73/23/569487323.db2.gz	ZYIZLPZQKOHULQ-LJQANCHMSA-N	-1	1	441.411	3.055	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)s1	ZINC000009243244	569514870	/nfs/dbraw/zinc/51/48/70/569514870.db2.gz	YDDDHSOVIGYXAF-BBATYDOGSA-N	-1	1	434.477	3.348	50	30		IGEAMM
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000019904648	524911354	/nfs/dbraw/zinc/91/13/54/524911354.db2.gz	KEOBWVIWYDOQCA-IBGZPJMESA-N	-1	1	445.855	3.410	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000008438525	556174618	/nfs/dbraw/zinc/17/46/18/556174618.db2.gz	FHDRCYFKMJRUTN-OAQYLSRUSA-N	-1	1	439.464	3.455	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2OC(=O)c2cccc3ccccc32)NC1=O	ZINC000016115640	556584149	/nfs/dbraw/zinc/58/41/49/556584149.db2.gz	DRCUGHZIFJSNRI-NZYROCMPSA-N	-1	1	447.472	3.455	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2	ZINC000009781771	568819472	/nfs/dbraw/zinc/81/94/72/568819472.db2.gz	WIJCNLMUOHHSEO-MRXNPFEDSA-N	-1	1	429.498	3.070	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000020082952	569333849	/nfs/dbraw/zinc/33/38/49/569333849.db2.gz	RHKVDFHYAOXOCH-LJQANCHMSA-N	-1	1	445.855	3.497	50	30		IGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020309185	569359566	/nfs/dbraw/zinc/35/95/66/569359566.db2.gz	YEWVJSQDPBZIGQ-GOSISDBHSA-N	-1	1	445.859	3.094	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008846494	569479091	/nfs/dbraw/zinc/47/90/91/569479091.db2.gz	JQSXIPMWBBVBMH-SFHVURJKSA-N	-1	1	428.372	3.177	50	30		IGEAMM
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000009089469	569500947	/nfs/dbraw/zinc/50/09/47/569500947.db2.gz	QXKWCDNWFUXCDG-FQEVSTJZSA-N	-1	1	434.473	3.117	50	30		IGEAMM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc(Br)cc2)cc1	ZINC000009110585	569502184	/nfs/dbraw/zinc/50/21/84/569502184.db2.gz	WVBVGWCGUVSEIL-KRWDZBQOSA-N	-1	1	430.254	3.420	50	30		IGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2ccccc2OC)nc2cc(Cl)ccc2c1=O	ZINC000013130968	519204077	/nfs/dbraw/zinc/20/40/77/519204077.db2.gz	MOLZOQLKAYJFKA-UHFFFAOYSA-N	-1	1	443.912	3.293	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)s1	ZINC000009109146	556247096	/nfs/dbraw/zinc/24/70/96/556247096.db2.gz	GGBACNPDKNSMJR-GOSISDBHSA-N	-1	1	435.461	3.401	50	30		IGEAMM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C1=C(CCCC1=O)N2	ZINC000013839614	556317617	/nfs/dbraw/zinc/31/76/17/556317617.db2.gz	WFYMSLVCNMADQC-GOSISDBHSA-N	-1	1	428.448	3.136	50	30		IGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	ZINC000020405933	557013827	/nfs/dbraw/zinc/01/38/27/557013827.db2.gz	FANBOWCLZDMVSP-UHFFFAOYSA-N	-1	1	442.463	3.224	50	30		IGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1	ZINC000020405933	557013830	/nfs/dbraw/zinc/01/38/30/557013830.db2.gz	FANBOWCLZDMVSP-UHFFFAOYSA-N	-1	1	442.463	3.224	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C(=O)[N-]C1=S	ZINC000002909244	557316525	/nfs/dbraw/zinc/31/65/25/557316525.db2.gz	VILFHDVOHXLMJY-LFIBNONCSA-N	-1	1	426.469	3.226	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000104222042	557453702	/nfs/dbraw/zinc/45/37/02/557453702.db2.gz	BEZFBOLCRQQFNO-DPEHCCBOSA-N	-1	1	429.479	3.243	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C(=O)[N-]C1=S	ZINC000002994404	557678404	/nfs/dbraw/zinc/67/84/04/557678404.db2.gz	YLNMDTKCKVBILT-XYOKQWHBSA-N	-1	1	439.331	3.059	50	30		IGEAMM
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C(=O)[N-]C1=S	ZINC000015723080	568828723	/nfs/dbraw/zinc/82/87/23/568828723.db2.gz	FVOXVTRZGSCROX-BOPFTXTBSA-N	-1	1	426.469	3.226	50	30		IGEAMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1C#N	ZINC000016361730	568878738	/nfs/dbraw/zinc/87/87/38/568878738.db2.gz	VKWULMGARNJBDR-NTMALXAHSA-N	-1	1	434.408	3.403	50	30		IGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020309183	569359551	/nfs/dbraw/zinc/35/95/51/569359551.db2.gz	YEWVJSQDPBZIGQ-SFHVURJKSA-N	-1	1	445.859	3.094	50	30		IGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020309181	569359651	/nfs/dbraw/zinc/35/96/51/569359651.db2.gz	VNOGWAOUDNBPIH-GOSISDBHSA-N	-1	1	445.859	3.094	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[N-]C1=S	ZINC000009907604	569573164	/nfs/dbraw/zinc/57/31/64/569573164.db2.gz	CNROWBZKNBNYLT-UDWIEESQSA-N	-1	1	426.501	3.374	50	30		IGEAMM
C=CCn1c(Cc2csc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)n[n-]c1=S	ZINC000012823672	519194557	/nfs/dbraw/zinc/19/45/57/519194557.db2.gz	XAUVECYQRAKUOH-UHFFFAOYSA-N	-1	1	432.487	3.343	50	30		IGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccnc1	ZINC000013689033	524297202	/nfs/dbraw/zinc/29/72/02/524297202.db2.gz	KAUVYKUXQWMRKC-MRXNPFEDSA-N	-1	1	426.429	3.172	50	30		IGEAMM
O=S(=O)(N=C1CCCCCN1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000013074222	527160665	/nfs/dbraw/zinc/16/06/65/527160665.db2.gz	QGGWVUTUDOADJN-UHFFFAOYSA-N	-1	1	443.497	3.016	50	30		IGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1cccc(Cl)c1	ZINC000015857394	556558014	/nfs/dbraw/zinc/55/80/14/556558014.db2.gz	WFAFHLTUJKRJGO-YJCKXXIQSA-N	-1	1	447.900	3.324	50	30		IGEAMM
CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)[n-]1)c1ccc(F)cc1	ZINC000020159907	556993420	/nfs/dbraw/zinc/99/34/20/556993420.db2.gz	GLNCDAQLADGBOW-FOKLQQMPSA-N	-1	1	428.449	3.239	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000101629305	557291845	/nfs/dbraw/zinc/29/18/45/557291845.db2.gz	AOLKGVKQKRHVNY-PMACEKPBSA-N	-1	1	437.521	3.343	50	30		IGEAMM
Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C#N)c3)c1)NC(=O)CCC2=O	ZINC000033276539	557328875	/nfs/dbraw/zinc/32/88/75/557328875.db2.gz	OBIMQTUYQOLJSB-UHFFFAOYSA-N	-1	1	449.492	3.212	50	30		IGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccnc1	ZINC000102740845	557375867	/nfs/dbraw/zinc/37/58/67/557375867.db2.gz	YJHNPBZGKNVZOW-UYTDBDHRSA-N	-1	1	426.429	3.016	50	30		IGEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000102889248	557405142	/nfs/dbraw/zinc/40/51/42/557405142.db2.gz	CXJUJNFIVOJWHZ-LFVOPCPISA-N	-1	1	445.855	3.254	50	30		IGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F	ZINC000002623932	562928596	/nfs/dbraw/zinc/92/85/96/562928596.db2.gz	VUAHKPTVCDROAO-UHFFFAOYSA-N	-1	1	441.444	3.227	50	30		IGEAMM
COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c[nH]c21	ZINC000032070192	569459154	/nfs/dbraw/zinc/45/91/54/569459154.db2.gz	DAWXIPJVMNIWLV-HSZRJFAPSA-N	-1	1	445.523	3.270	50	30		IGEAMM
COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c[nH]c21	ZINC000032070195	569459208	/nfs/dbraw/zinc/45/92/08/569459208.db2.gz	DAWXIPJVMNIWLV-QHCPKHFHSA-N	-1	1	445.523	3.270	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000102865465	525213153	/nfs/dbraw/zinc/21/31/53/525213153.db2.gz	KEZYJLYHNGEEHP-JBCNATCCSA-N	-1	1	439.464	3.299	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000006279769	556083463	/nfs/dbraw/zinc/08/34/63/556083463.db2.gz	SCEMBULDQMFXOK-QGZVFWFLSA-N	-1	1	441.440	3.477	50	30		IGEAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C([N-]C(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000008398847	556165123	/nfs/dbraw/zinc/16/51/23/556165123.db2.gz	ASSWOUCNVJGQFI-UHFFFAOYSA-N	-1	1	435.246	3.472	50	30		IGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000033280347	557062896	/nfs/dbraw/zinc/06/28/96/557062896.db2.gz	AOZIOTGDCAUNJA-IBGZPJMESA-N	-1	1	447.944	3.048	50	30		IGEAMM
C/N=C1\S/C(=C\c2cc(OC)c([O-])c(Br)c2Br)C(=O)N1C	ZINC000101495783	557289506	/nfs/dbraw/zinc/28/95/06/557289506.db2.gz	WOJYCUUESAWVSN-PVLAGDMYSA-N	-1	1	436.125	3.458	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000102860716	557401483	/nfs/dbraw/zinc/40/14/83/557401483.db2.gz	OOVKWCYJZZWDPM-GROYHEBESA-N	-1	1	441.440	3.321	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000104240023	557453448	/nfs/dbraw/zinc/45/34/48/557453448.db2.gz	NIWKYXAATRLNTH-SELCWUDQSA-N	-1	1	437.477	3.490	50	30		IGEAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3C#N)cc2)cc1	ZINC000002652074	569415051	/nfs/dbraw/zinc/41/50/51/569415051.db2.gz	HUZPCAIIBSNDAN-UHFFFAOYSA-N	-1	1	449.488	3.463	50	30		IGEAMM
N#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1	ZINC000009130207	569506000	/nfs/dbraw/zinc/50/60/00/569506000.db2.gz	OZFDOHPXFWBPEG-UHFFFAOYSA-N	-1	1	435.461	3.383	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000008438526	556174588	/nfs/dbraw/zinc/17/45/88/556174588.db2.gz	FHDRCYFKMJRUTN-NRFANRHFSA-N	-1	1	439.464	3.455	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)NC1=O	ZINC000016115794	556584143	/nfs/dbraw/zinc/58/41/43/556584143.db2.gz	LMVCLTVTZNLAKI-BBMHEYIBSA-N	-1	1	447.472	3.455	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883550	556937997	/nfs/dbraw/zinc/93/79/97/556937997.db2.gz	FVQMGOSHRCRZSZ-KRWDZBQOSA-N	-1	1	430.800	3.301	50	30		IGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1	ZINC000027551971	557265151	/nfs/dbraw/zinc/26/51/51/557265151.db2.gz	LOSSSFIFESMPLV-YPKZHZFPSA-N	-1	1	427.482	3.061	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1	ZINC000102723312	557369201	/nfs/dbraw/zinc/36/92/01/557369201.db2.gz	BIIXLXMQVYMCHR-MRPLLJTBSA-N	-1	1	428.451	3.443	50	30		IGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1	ZINC000021712982	518919437	/nfs/dbraw/zinc/91/94/37/518919437.db2.gz	XBGGHWJYIKFWNM-FQEVSTJZSA-N	-1	1	441.553	3.011	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000013569749	522954548	/nfs/dbraw/zinc/95/45/48/522954548.db2.gz	JEHANMRQJHKLHL-INIZCTEOSA-N	-1	1	427.413	3.174	50	30		IGEAMM
Cc1ccc([C@H]2C3=C(Nc4nc(N5CCOCC5)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000040382615	525987535	/nfs/dbraw/zinc/98/75/35/525987535.db2.gz	XQROPGSOBPPPJV-SFHVURJKSA-N	-1	1	426.476	3.080	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1	ZINC000013510934	527584765	/nfs/dbraw/zinc/58/47/65/527584765.db2.gz	YJSSSOHKFILIOR-GOSISDBHSA-N	-1	1	428.372	3.177	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)s1	ZINC000009110021	556247528	/nfs/dbraw/zinc/24/75/28/556247528.db2.gz	GGBACNPDKNSMJR-SFHVURJKSA-N	-1	1	435.461	3.401	50	30		IGEAMM
O=C(CCSc1nnc(NN=Cc2ccco2)[n-]1)Nc1cccc(N2CCCC2=O)c1	ZINC000020438042	557016915	/nfs/dbraw/zinc/01/69/15/557016915.db2.gz	JPZJMEXQAYXQBV-FYJGNVAPSA-N	-1	1	439.501	3.091	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccnc2)s1	ZINC000102591625	557304169	/nfs/dbraw/zinc/30/41/69/557304169.db2.gz	FWQNXORLGXICFD-NJPPWEETSA-N	-1	1	434.477	3.191	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC	ZINC000102696973	557364996	/nfs/dbraw/zinc/36/49/96/557364996.db2.gz	QTWLQYYAUJEGNI-SELCWUDQSA-N	-1	1	440.408	3.228	50	30		IGEAMM
C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])nc3cc(C)ccn3c2=O)cc1OC	ZINC000205945695	557367804	/nfs/dbraw/zinc/36/78/04/557367804.db2.gz	LJODTQLTZPWCTD-KRWDZBQOSA-N	-1	1	438.480	3.367	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102797306	557388797	/nfs/dbraw/zinc/38/87/97/557388797.db2.gz	NLLBTTSPUGNZOD-UYTDBDHRSA-N	-1	1	427.438	3.083	50	30		IGEAMM
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217864822	569454273	/nfs/dbraw/zinc/45/42/73/569454273.db2.gz	VNWGWENZXDJDJR-OAHLLOKOSA-N	-1	1	426.421	3.250	50	30		IGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1ccccc1Cl	ZINC000008722309	569471841	/nfs/dbraw/zinc/47/18/41/569471841.db2.gz	CBZYPRFDLJDZBN-YJCKXXIQSA-N	-1	1	447.900	3.324	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccnc2)s1	ZINC000009243248	569514825	/nfs/dbraw/zinc/51/48/25/569514825.db2.gz	YDDDHSOVIGYXAF-ZMZPIMSZSA-N	-1	1	434.477	3.348	50	30		IGEAMM
C=CCn1c(SCC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)nnc1-c1cccs1	ZINC000019797007	519206020	/nfs/dbraw/zinc/20/60/20/519206020.db2.gz	VHWKPFAGJKQILH-UHFFFAOYSA-N	-1	1	438.538	3.151	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020309161	557007124	/nfs/dbraw/zinc/00/71/24/557007124.db2.gz	VZFMRKIFWXVXPG-LJQANCHMSA-N	-1	1	430.888	3.194	50	30		IGEAMM
C=CCc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	ZINC000000813036	557254015	/nfs/dbraw/zinc/25/40/15/557254015.db2.gz	XZEGEZKGFLUTPD-UHFFFAOYSA-N	-1	1	431.517	3.363	50	30		IGEAMM
COc1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(CCC3=CCCCC3)c2[O-])cc1OC	ZINC000101257938	557264944	/nfs/dbraw/zinc/26/49/44/557264944.db2.gz	RIEWGPJXYCMPGP-CSKARUKUSA-N	-1	1	426.469	3.046	50	30		IGEAMM
C/N=C1/S/C(=C\c2cc(OC)c([O-])c(Br)c2Br)C(=O)N1C	ZINC000000980677	568648805	/nfs/dbraw/zinc/64/88/05/568648805.db2.gz	WOJYCUUESAWVSN-LWMKNSOKSA-N	-1	1	436.125	3.458	50	30		IGEAMM
Cc1nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C	ZINC000064814016	568963760	/nfs/dbraw/zinc/96/37/60/568963760.db2.gz	NKWBCBVQSODJBS-UHFFFAOYSA-N	-1	1	432.871	3.407	50	30		IGEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2OCC(C)(C)C1=O	ZINC000009166926	569508961	/nfs/dbraw/zinc/50/89/61/569508961.db2.gz	FNBIZVFPEIDQGX-UHFFFAOYSA-N	-1	1	444.509	3.196	50	30		IGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1	ZINC000021712985	518929399	/nfs/dbraw/zinc/92/93/99/518929399.db2.gz	FUXQADDYUPQZNO-OAQYLSRUSA-N	-1	1	441.553	3.011	50	30		IGEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCNc3ncccc3C#N)cc2)cc1C	ZINC000032933027	556676109	/nfs/dbraw/zinc/67/61/09/556676109.db2.gz	IUDJTCWJCPGBRN-UHFFFAOYSA-N	-1	1	449.536	3.213	50	30		IGEAMM
Cc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c(C)n1-c1ccc(Br)cc1	ZINC000033498996	557336500	/nfs/dbraw/zinc/33/65/00/557336500.db2.gz	NKCLVLBBZOEKPB-UPWAIKHBSA-N	-1	1	449.330	3.253	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2	ZINC000009781768	568819451	/nfs/dbraw/zinc/81/94/51/568819451.db2.gz	WIJCNLMUOHHSEO-INIZCTEOSA-N	-1	1	429.498	3.070	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000019884351	569331669	/nfs/dbraw/zinc/33/16/69/569331669.db2.gz	PTVCEAZOJONSPS-KRWDZBQOSA-N	-1	1	430.800	3.301	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000008438521	569464334	/nfs/dbraw/zinc/46/43/34/569464334.db2.gz	FNGARSWKHMIAJV-OAQYLSRUSA-N	-1	1	439.464	3.455	50	30		IGEAMM
N#Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)c1	ZINC000067291624	569467603	/nfs/dbraw/zinc/46/76/03/569467603.db2.gz	YKAFQXCNIJRCJE-UHFFFAOYSA-N	-1	1	449.511	3.482	50	30		IGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1	ZINC000008926774	569487286	/nfs/dbraw/zinc/48/72/86/569487286.db2.gz	ZYIZLPZQKOHULQ-IBGZPJMESA-N	-1	1	441.411	3.055	50	30		IGEAMM
CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccc(C#N)c4)ccc3n2C)cc1	ZINC000033277012	521794830	/nfs/dbraw/zinc/79/48/30/521794830.db2.gz	GNXAQOJXFCBBEV-UHFFFAOYSA-N	-1	1	445.504	3.272	50	30		IGEAMM
N#Cc1cccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1	ZINC000012552697	526699776	/nfs/dbraw/zinc/69/97/76/526699776.db2.gz	CKWLGPFSHZZURO-UHFFFAOYSA-N	-1	1	435.461	3.383	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccccc2)s1	ZINC000102567952	557303862	/nfs/dbraw/zinc/30/38/62/557303862.db2.gz	WACJXJUFNOIHKA-SELCWUDQSA-N	-1	1	435.461	3.244	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000102506541	557339921	/nfs/dbraw/zinc/33/99/21/557339921.db2.gz	HINRFFURXDCSFR-JBCNATCCSA-N	-1	1	439.464	3.299	50	30		IGEAMM
COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccnc1	ZINC000102740844	557376012	/nfs/dbraw/zinc/37/60/12/557376012.db2.gz	YJHNPBZGKNVZOW-IBOXJLQUSA-N	-1	1	426.429	3.016	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C(=O)[N-]C1=S	ZINC000002996536	557689329	/nfs/dbraw/zinc/68/93/29/557689329.db2.gz	KEXWRYWLHSEUFD-GZTJUZNOSA-N	-1	1	426.469	3.226	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000019884353	569331651	/nfs/dbraw/zinc/33/16/51/569331651.db2.gz	PTVCEAZOJONSPS-QGZVFWFLSA-N	-1	1	430.800	3.301	50	30		IGEAMM
CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000008817407	569476876	/nfs/dbraw/zinc/47/68/76/569476876.db2.gz	ATIMNFIFILKGQM-SELCWUDQSA-N	-1	1	429.314	3.432	50	30		IGEAMM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C1=C(CCCC1=O)N2	ZINC000013839617	556317786	/nfs/dbraw/zinc/31/77/86/556317786.db2.gz	WFYMSLVCNMADQC-SFHVURJKSA-N	-1	1	428.448	3.136	50	30		IGEAMM
O=C([O-])CC1S/C(=N/N=C/c2cccc(OC(=O)c3cccc4ccccc43)c2)NC1=O	ZINC000016115660	556584189	/nfs/dbraw/zinc/58/41/89/556584189.db2.gz	HTFKSPCCNJDQDA-NZYROCMPSA-N	-1	1	447.472	3.455	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccccc2)s1	ZINC000102567958	557303700	/nfs/dbraw/zinc/30/37/00/557303700.db2.gz	WACJXJUFNOIHKA-GHNGSUTGSA-N	-1	1	435.461	3.244	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102526315	557353472	/nfs/dbraw/zinc/35/34/72/557353472.db2.gz	CPFJGERPRCJRBQ-LFVOPCPISA-N	-1	1	445.855	3.341	50	30		IGEAMM
C=CCn1c(Cc2csc(NC(=O)CCc3ccc4c(c3)OCO4)n2)n[n-]c1=S	ZINC000012791182	519192953	/nfs/dbraw/zinc/19/29/53/519192953.db2.gz	RXMUZOOKORPIKV-UHFFFAOYSA-N	-1	1	429.527	3.474	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000032975655	556600167	/nfs/dbraw/zinc/60/01/67/556600167.db2.gz	RHGPSNPDLPOBFP-WOJBJXKFSA-N	-1	1	437.521	3.343	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883552	556937934	/nfs/dbraw/zinc/93/79/34/556937934.db2.gz	FVQMGOSHRCRZSZ-QGZVFWFLSA-N	-1	1	430.800	3.301	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c(OC)c1	ZINC000018062838	557234696	/nfs/dbraw/zinc/23/46/96/557234696.db2.gz	FYVUOMABKFKUCF-IBGZPJMESA-N	-1	1	445.855	3.410	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)s1	ZINC000102591630	557304150	/nfs/dbraw/zinc/30/41/50/557304150.db2.gz	FWQNXORLGXICFD-HDIDEKPKSA-N	-1	1	434.477	3.191	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102579751	557355554	/nfs/dbraw/zinc/35/55/54/557355554.db2.gz	MHWAPMNQZFOBEY-MRPLLJTBSA-N	-1	1	429.479	3.488	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000102865463	557404371	/nfs/dbraw/zinc/40/43/71/557404371.db2.gz	KEZYJLYHNGEEHP-MRJHHRETSA-N	-1	1	439.464	3.299	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000104240018	557453474	/nfs/dbraw/zinc/45/34/74/557453474.db2.gz	NIWKYXAATRLNTH-GHNGSUTGSA-N	-1	1	437.477	3.490	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)[N-]C1=S	ZINC000015012548	568828162	/nfs/dbraw/zinc/82/81/62/568828162.db2.gz	NKQXVZADGTUZCQ-LDADJPATSA-N	-1	1	437.521	3.002	50	30		IGEAMM
Cc1nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3ccc(Cl)cc3)nn2c(=O)c1C	ZINC000064814049	568963941	/nfs/dbraw/zinc/96/39/41/568963941.db2.gz	XSIPUIVSVRZQHL-UHFFFAOYSA-N	-1	1	432.871	3.407	50	30		IGEAMM
COC(=O)CC(c1cc2cc(OC)ccc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217861729	523340763	/nfs/dbraw/zinc/34/07/63/523340763.db2.gz	MKTBKFJFXNLLKW-MRXNPFEDSA-N	-1	1	433.416	3.075	50	30		IGEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000017992645	524892274	/nfs/dbraw/zinc/89/22/74/524892274.db2.gz	KEOBWVIWYDOQCA-LJQANCHMSA-N	-1	1	445.855	3.410	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000009358752	525390324	/nfs/dbraw/zinc/39/03/24/525390324.db2.gz	UHMSXGDSFMQVAN-FQEVSTJZSA-N	-1	1	425.437	3.147	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000013550929	525392366	/nfs/dbraw/zinc/39/23/66/525392366.db2.gz	VBOZCKDMXGXZLA-INIZCTEOSA-N	-1	1	427.438	3.240	50	30		IGEAMM
N=C1N(c2ccccc2)C(=O)C(=N[N-]c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000016133835	526839431	/nfs/dbraw/zinc/83/94/31/526839431.db2.gz	YUCNIIUVDZYIKS-UHFFFAOYSA-N	-1	1	428.408	3.377	50	30		IGEAMM
COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1OCc1cccc(Cl)c1	ZINC000006674416	556100507	/nfs/dbraw/zinc/10/05/07/556100507.db2.gz	WFAFHLTUJKRJGO-CPHRPENTSA-N	-1	1	447.900	3.324	50	30		IGEAMM
CCSc1nnc(NC(=O)CSc2nnc(NN=Cc3cccs3)[n-]2)s1	ZINC000020191030	556996302	/nfs/dbraw/zinc/99/63/02/556996302.db2.gz	RRYHWXRFXBZEAY-MKMNVTDBSA-N	-1	1	426.578	3.007	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000101629300	557291873	/nfs/dbraw/zinc/29/18/73/557291873.db2.gz	AOLKGVKQKRHVNY-BGYRXZFFSA-N	-1	1	437.521	3.343	50	30		IGEAMM
Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1	ZINC000101629067	557291926	/nfs/dbraw/zinc/29/19/26/557291926.db2.gz	RHGPSNPDLPOBFP-BGYRXZFFSA-N	-1	1	437.521	3.343	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccn2)cc1F	ZINC000102735808	557373182	/nfs/dbraw/zinc/37/31/82/557373182.db2.gz	YKQMAXICVYCQET-IBOXJLQUSA-N	-1	1	426.429	3.016	50	30		IGEAMM
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C(=O)[N-]C1=S	ZINC000000681106	568832045	/nfs/dbraw/zinc/83/20/45/568832045.db2.gz	WFUPLUJSJVFFFV-LDADJPATSA-N	-1	1	437.521	3.002	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008846493	569479065	/nfs/dbraw/zinc/47/90/65/569479065.db2.gz	JQSXIPMWBBVBMH-GOSISDBHSA-N	-1	1	428.372	3.177	50	30		IGEAMM
O=[N+]([O-])c1ccc2c(ccc([O-])c2C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1	ZINC000009310358	569521704	/nfs/dbraw/zinc/52/17/04/569521704.db2.gz	FZSGQNLLXRQFBT-OEAKJJBVSA-N	-1	1	448.487	3.285	50	30		IGEAMM
C/N=C1\S/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C(=O)N1C	ZINC000008461786	518571968	/nfs/dbraw/zinc/57/19/68/518571968.db2.gz	WOJYCUUESAWVSN-CVAKKSDJSA-N	-1	1	436.125	3.458	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000006282464	556083566	/nfs/dbraw/zinc/08/35/66/556083566.db2.gz	SCEMBULDQMFXOK-KRWDZBQOSA-N	-1	1	441.440	3.477	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000019789034	556914527	/nfs/dbraw/zinc/91/45/27/556914527.db2.gz	DRAFYNXORJTHDL-HXUWFJFHSA-N	-1	1	425.437	3.147	50	30		IGEAMM
Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C#N)cc3)c1)NC(=O)CCC2=O	ZINC000033276534	557056663	/nfs/dbraw/zinc/05/66/63/557056663.db2.gz	QCKQJMOVENKOAJ-UHFFFAOYSA-N	-1	1	449.492	3.212	50	30		IGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccccc1	ZINC000027551969	557265194	/nfs/dbraw/zinc/26/51/94/557265194.db2.gz	LOSSSFIFESMPLV-FNLSEGDXSA-N	-1	1	427.482	3.061	50	30		IGEAMM
C=CCN1C(=O)/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)[N-]C1=S	ZINC000009260132	568818086	/nfs/dbraw/zinc/81/80/86/568818086.db2.gz	CNROWBZKNBNYLT-NDENLUEZSA-N	-1	1	426.501	3.374	50	30		IGEAMM
C=CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(CCCC)[C@@H]2CCC)C1=O	ZINC000016977742	568830331	/nfs/dbraw/zinc/83/03/31/568830331.db2.gz	IXRXHULXHKRONE-GCJKJVERSA-N	-1	1	428.489	3.177	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)s1	ZINC000009243247	569514839	/nfs/dbraw/zinc/51/48/39/569514839.db2.gz	YDDDHSOVIGYXAF-ADLMAVQZSA-N	-1	1	434.477	3.348	50	30		IGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017316776	521783902	/nfs/dbraw/zinc/78/39/02/521783902.db2.gz	ZIXVZKADWVKGPF-MRXNPFEDSA-N	-1	1	443.525	3.472	50	30		IGEAMM
O=S(=O)(N=C1CCCCCN1)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000013042047	527160380	/nfs/dbraw/zinc/16/03/80/527160380.db2.gz	SRBGCWSMHGKEOF-UHFFFAOYSA-N	-1	1	441.962	3.392	50	30		IGEAMM
CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1	ZINC000102787048	557308328	/nfs/dbraw/zinc/30/83/28/557308328.db2.gz	LUZPMWXSTZUEOR-LSDHQDQOSA-N	-1	1	435.571	3.424	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000102526320	557353403	/nfs/dbraw/zinc/35/34/03/557353403.db2.gz	CPFJGERPRCJRBQ-WOOAAIBNSA-N	-1	1	445.855	3.341	50	30		IGEAMM
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803910	557386009	/nfs/dbraw/zinc/38/60/09/557386009.db2.gz	BRQUXMUKEMQOAH-NHFXJNLRSA-N	-1	1	448.431	3.405	50	30		IGEAMM
CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104066969	557449869	/nfs/dbraw/zinc/44/98/69/557449869.db2.gz	FEXSEHXAMOZUDM-HVESIFNPSA-N	-1	1	441.440	3.408	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104222173	557453679	/nfs/dbraw/zinc/45/36/79/557453679.db2.gz	OMWHOGXNAGTTMD-IBOXJLQUSA-N	-1	1	427.413	3.018	50	30		IGEAMM
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217753021	569452819	/nfs/dbraw/zinc/45/28/19/569452819.db2.gz	OBKSIEXKDCPROR-HNNXBMFYSA-N	-1	1	426.421	3.250	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccn2)cc1F	ZINC000013691117	523572329	/nfs/dbraw/zinc/57/23/29/523572329.db2.gz	LHFWXRVZFYVJCC-INIZCTEOSA-N	-1	1	426.429	3.172	50	30		IGEAMM
O=S(=O)(N=C1CCCCCN1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000013042045	527161327	/nfs/dbraw/zinc/16/13/27/527161327.db2.gz	LTMCQLUTOKIFHL-UHFFFAOYSA-N	-1	1	441.962	3.392	50	30		IGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1cccc(Cl)c1	ZINC000006624869	556098746	/nfs/dbraw/zinc/09/87/46/556098746.db2.gz	GZWPZEFQPQNJDX-MMXTWKRJSA-N	-1	1	447.900	3.324	50	30		IGEAMM
CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(CCCC1=O)N2	ZINC000017316779	556675380	/nfs/dbraw/zinc/67/53/80/556675380.db2.gz	ZIXVZKADWVKGPF-INIZCTEOSA-N	-1	1	443.525	3.472	50	30		IGEAMM
C=CCN1C(=O)C(=Cc2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(=O)[N-]C1=S	ZINC000016138339	568871851	/nfs/dbraw/zinc/87/18/51/568871851.db2.gz	FVCYLLNDWLLDDG-PDGQHHTCSA-N	-1	1	439.468	3.496	50	30		IGEAMM
COc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc([O-])c(O)c3)c2C#N)cc1	ZINC000019880126	569331524	/nfs/dbraw/zinc/33/15/24/569331524.db2.gz	JIXBRUVNAHKTBT-UHFFFAOYSA-N	-1	1	432.461	3.469	50	30		IGEAMM
C=CCOc1c(Br)c(Br)c(/C=C2\NC(=O)[N-]C2=O)cc1OCC	ZINC000002772261	569420862	/nfs/dbraw/zinc/42/08/62/569420862.db2.gz	GHFRXXSJCDGDBP-TWGQIWQCSA-N	-1	1	446.095	3.355	50	30		IGEAMM
COC(=O)CC(c1coc2ccc(OC)cc2c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217601333	569449733	/nfs/dbraw/zinc/44/97/33/569449733.db2.gz	AMBLMWRYLPVALX-OAHLLOKOSA-N	-1	1	434.400	3.340	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009174043	569509663	/nfs/dbraw/zinc/50/96/63/569509663.db2.gz	ANMKDDNGPFDVIO-HVESIFNPSA-N	-1	1	430.800	3.145	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009177766	569509777	/nfs/dbraw/zinc/50/97/77/569509777.db2.gz	ZIXKAQVGUOOHMX-HVESIFNPSA-N	-1	1	430.800	3.145	50	30		IGEAMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1C#N	ZINC000009234767	569513961	/nfs/dbraw/zinc/51/39/61/569513961.db2.gz	VKWULMGARNJBDR-CSKARUKUSA-N	-1	1	434.408	3.403	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccnc2)s1	ZINC000009243245	569514899	/nfs/dbraw/zinc/51/48/99/569514899.db2.gz	YDDDHSOVIGYXAF-VOJFVSQTSA-N	-1	1	434.477	3.348	50	30		IGEAMM
COc1cc([C@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000016943651	522967695	/nfs/dbraw/zinc/96/76/95/522967695.db2.gz	XFWCNRHYOUXYFT-OAHLLOKOSA-N	-1	1	429.498	3.082	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000013569734	525393115	/nfs/dbraw/zinc/39/31/15/525393115.db2.gz	YQWRTIFDFPTQSY-HNNXBMFYSA-N	-1	1	429.479	3.400	50	30		IGEAMM
N#CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1	ZINC000032072155	526460090	/nfs/dbraw/zinc/46/00/90/526460090.db2.gz	DXMSSGUHLDQLJT-QFIPXVFZSA-N	-1	1	431.496	3.077	50	30		IGEAMM
O=S(=O)(/N=C(\[N-]S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000012523901	527159193	/nfs/dbraw/zinc/15/91/93/527159193.db2.gz	PESAYRRXEADYSA-UHFFFAOYSA-N	-1	1	434.926	3.454	50	30		IGEAMM
COc1cc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc(Br)c1[O-]	ZINC000002798195	556141937	/nfs/dbraw/zinc/14/19/37/556141937.db2.gz	WOSGTCCGSXATPP-DNTJNYDQSA-N	-1	1	433.262	3.170	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC	ZINC000008743083	556207572	/nfs/dbraw/zinc/20/75/72/556207572.db2.gz	LBXCRNHKUYLZRG-GOSISDBHSA-N	-1	1	440.408	3.385	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])cc1OC	ZINC000019789032	556914579	/nfs/dbraw/zinc/91/45/79/556914579.db2.gz	DRAFYNXORJTHDL-FQEVSTJZSA-N	-1	1	425.437	3.147	50	30		IGEAMM
CC(=O)Nc1cccc(NC(=O)CCSc2nnc(NN=C(C)c3ccccn3)[n-]2)c1	ZINC000020159943	556993736	/nfs/dbraw/zinc/99/37/36/556993736.db2.gz	XYPBBUNUIJNTHT-DHRITJCHSA-N	-1	1	438.517	3.115	50	30		IGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102803905	557386039	/nfs/dbraw/zinc/38/60/39/557386039.db2.gz	BRQUXMUKEMQOAH-YDJIHCHBSA-N	-1	1	448.431	3.405	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000102797305	557388784	/nfs/dbraw/zinc/38/87/84/557388784.db2.gz	NLLBTTSPUGNZOD-IBOXJLQUSA-N	-1	1	427.438	3.083	50	30		IGEAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1C	ZINC000016098443	557469119	/nfs/dbraw/zinc/46/91/19/557469119.db2.gz	SEXDPMWDQQFGQO-UHFFFAOYSA-N	-1	1	435.571	3.355	50	30		IGEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(CC)CC)c(=O)c2c1	ZINC000006296465	568882272	/nfs/dbraw/zinc/88/22/72/568882272.db2.gz	KPLXXSPPLWRXOU-UHFFFAOYSA-N	-1	1	439.537	3.391	50	30		IGEAMM
Cc1nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3cccc(Cl)c3)nn2c(=O)c1C	ZINC000064814031	568963747	/nfs/dbraw/zinc/96/37/47/568963747.db2.gz	BUFBOFOQKYHODF-UHFFFAOYSA-N	-1	1	432.871	3.407	50	30		IGEAMM
Cc1nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3cccc(Cl)c3)nn2c(=O)c1C	ZINC000064814056	568964038	/nfs/dbraw/zinc/96/40/38/568964038.db2.gz	PAASBHNYMMQIED-UHFFFAOYSA-N	-1	1	432.871	3.407	50	30		IGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1	ZINC000000795724	555557950	/nfs/dbraw/zinc/55/79/50/555557950.db2.gz	VDVRWWNRWDKOON-CYBMUJFWSA-N	-1	1	426.454	3.006	50	30		IGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1	ZINC000000795724	555557953	/nfs/dbraw/zinc/55/79/53/555557953.db2.gz	VDVRWWNRWDKOON-CYBMUJFWSA-N	-1	1	426.454	3.006	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccnc2)s1	ZINC000102666787	557304789	/nfs/dbraw/zinc/30/47/89/557304789.db2.gz	FWQNXORLGXICFD-BWPHWIOQSA-N	-1	1	434.477	3.191	50	30		IGEAMM
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccco2)nc1C	ZINC000102876946	557406471	/nfs/dbraw/zinc/40/64/71/557406471.db2.gz	PVUBLISDOAAJQK-MRPLLJTBSA-N	-1	1	428.422	3.441	50	30		IGEAMM
COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)cc1	ZINC000005941102	568739072	/nfs/dbraw/zinc/73/90/72/568739072.db2.gz	NXVTZEDZZYBQKH-UHFFFAOYSA-N	-1	1	437.477	3.385	50	30		IGEAMM
CCN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2[O-])c2ccccc2S1(=O)=O	ZINC000027573079	569273824	/nfs/dbraw/zinc/27/38/24/569273824.db2.gz	WRSZXPQJUDICPQ-UHFFFAOYSA-N	-1	1	448.500	3.398	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009174035	569509597	/nfs/dbraw/zinc/50/95/97/569509597.db2.gz	ANMKDDNGPFDVIO-GROYHEBESA-N	-1	1	430.800	3.145	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000013569751	522917632	/nfs/dbraw/zinc/91/76/32/522917632.db2.gz	JEHANMRQJHKLHL-MRXNPFEDSA-N	-1	1	427.413	3.174	50	30		IGEAMM
CC(=NNc1nnc(SCC(=O)NC2C3CC4CC(C3)CC2C4)[n-]1)c1ccccn1	ZINC000006854974	557136154	/nfs/dbraw/zinc/13/61/54/557136154.db2.gz	HQDHNNCGYJORMA-ROTLSHHCSA-N	-1	1	425.562	3.069	50	30		IGEAMM
O=C([N-]c1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100480204	557409631	/nfs/dbraw/zinc/40/96/31/557409631.db2.gz	TXCCQETZKOADMT-GIDUJCDVSA-N	-1	1	449.386	3.327	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000104222178	568622425	/nfs/dbraw/zinc/62/24/25/568622425.db2.gz	OMWHOGXNAGTTMD-UYTDBDHRSA-N	-1	1	427.413	3.018	50	30		IGEAMM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1	ZINC000016651945	568830027	/nfs/dbraw/zinc/83/00/27/568830027.db2.gz	KDNWABVYNJYOBC-UHFFFAOYSA-N	-1	1	448.566	3.247	50	30		IGEAMM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020309178	569359648	/nfs/dbraw/zinc/35/96/48/569359648.db2.gz	VNOGWAOUDNBPIH-SFHVURJKSA-N	-1	1	445.859	3.094	50	30		IGEAMM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217752946	569452767	/nfs/dbraw/zinc/45/27/67/569452767.db2.gz	OBKSIEXKDCPROR-OAHLLOKOSA-N	-1	1	426.421	3.250	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1	ZINC000009353430	569524980	/nfs/dbraw/zinc/52/49/80/569524980.db2.gz	YKJNMESZUNJTKK-GHNGSUTGSA-N	-1	1	428.372	3.020	50	30		IGEAMM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCCC)c(=O)c2c1	ZINC000009495297	569540981	/nfs/dbraw/zinc/54/09/81/569540981.db2.gz	YRYUHUCWRAQETN-UHFFFAOYSA-N	-1	1	439.537	3.439	50	30		IGEAMM
C=CCN1C(=O)c2ccc(C(=O)OCc3cc(=O)oc4cc([O-])c(CC)cc34)cc2C1=O	ZINC000009702211	569561330	/nfs/dbraw/zinc/56/13/30/569561330.db2.gz	JAVTXAQGNOCBFN-UHFFFAOYSA-N	-1	1	433.416	3.200	50	30		IGEAMM
C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1	ZINC000021712988	518918755	/nfs/dbraw/zinc/91/87/55/518918755.db2.gz	FUXQADDYUPQZNO-NRFANRHFSA-N	-1	1	441.553	3.011	50	30		IGEAMM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)cc1	ZINC000013058308	522432063	/nfs/dbraw/zinc/43/20/63/522432063.db2.gz	ZLHNYIYYZFGWLD-OAHLLOKOSA-N	-1	1	435.571	3.472	50	30		IGEAMM
Cc1ccc(S(=O)(=O)N=C([O-])Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1	ZINC000000795725	555557967	/nfs/dbraw/zinc/55/79/67/555557967.db2.gz	VDVRWWNRWDKOON-ZDUSSCGKSA-N	-1	1	426.454	3.006	50	30		IGEAMM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1	ZINC000000795725	555557970	/nfs/dbraw/zinc/55/79/70/555557970.db2.gz	VDVRWWNRWDKOON-ZDUSSCGKSA-N	-1	1	426.454	3.006	50	30		IGEAMM
COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)cc1OC	ZINC000104222049	557453687	/nfs/dbraw/zinc/45/36/87/557453687.db2.gz	BEZFBOLCRQQFNO-IDTYTIONSA-N	-1	1	429.479	3.243	50	30		IGEAMM
CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nncs2)ccc1O	ZINC000006016479	568740032	/nfs/dbraw/zinc/74/00/32/568740032.db2.gz	QCKQJGORDHHCSC-HNNXBMFYSA-N	-1	1	429.479	3.487	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000020082949	569333860	/nfs/dbraw/zinc/33/38/60/569333860.db2.gz	RHKVDFHYAOXOCH-IBGZPJMESA-N	-1	1	445.855	3.497	50	30		IGEAMM
COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4nc5c(cc4C#N)CCCC5)CC3)c2c1	ZINC000032070128	569459164	/nfs/dbraw/zinc/45/91/64/569459164.db2.gz	CZNWIXVLRIYQOL-QHCPKHFHSA-N	-1	1	445.523	3.270	50	30		IGEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2OCC(C)(C)C1=O	ZINC000009166714	569508931	/nfs/dbraw/zinc/50/89/31/569508931.db2.gz	OLQMQTMQLKKVJQ-UHFFFAOYSA-N	-1	1	443.525	3.383	50	30		IGEAMM
CCOc1ccc(-n2c([O-])c(C(=O)C=Cc3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1	ZINC000009383276	569528403	/nfs/dbraw/zinc/52/84/03/569528403.db2.gz	SPMRYQDYZRHBOB-CXUHLZMHSA-N	-1	1	449.507	3.372	50	30		IGEAMM
COC(=O)c1[nH]c2ccccc2c1C=Nn1cc([O-])c(-c2nc3ccccc3s2)c1N	ZINC000009476592	569539095	/nfs/dbraw/zinc/53/90/95/569539095.db2.gz	VONXFIDTSLUFFC-YSURURNPSA-N	-1	1	431.477	3.110	50	30		IGEAMM
CC(=O)c1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(OCC#N)cc43)CC2)cc1	ZINC000040268726	518350694	/nfs/dbraw/zinc/35/06/94/518350694.db2.gz	FBDOSNCWISYLNX-QHCPKHFHSA-N	-1	1	432.480	3.221	50	30		IGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000021712948	518929070	/nfs/dbraw/zinc/92/90/70/518929070.db2.gz	PBLJLRNLKXFORY-HXUWFJFHSA-N	-1	1	441.553	3.011	50	30		IGEAMM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1	ZINC000012583529	522160386	/nfs/dbraw/zinc/16/03/86/522160386.db2.gz	ZVCJBJQHBVKSPB-UHFFFAOYSA-N	-1	1	449.484	3.460	50	30		IGEAMM
COc1cc([C@@H]2c3c(=O)[n-]c(SC)nc3NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000016943656	522935115	/nfs/dbraw/zinc/93/51/15/522935115.db2.gz	XFWCNRHYOUXYFT-HNNXBMFYSA-N	-1	1	429.498	3.082	50	30		IGEAMM
COC(=O)CC(c1cc2ccc(OC)cc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217651484	523280479	/nfs/dbraw/zinc/28/04/79/523280479.db2.gz	FSAWQMRHYMMSKD-INIZCTEOSA-N	-1	1	433.416	3.075	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)[O-])c(OC)c1	ZINC000013382047	525223837	/nfs/dbraw/zinc/22/38/37/525223837.db2.gz	UHMSXGDSFMQVAN-HXUWFJFHSA-N	-1	1	425.437	3.147	50	30		IGEAMM
Cc1ccc([C@@H]2C3=C(Nc4nc(N5CCOCC5)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000040382617	525793364	/nfs/dbraw/zinc/79/33/64/525793364.db2.gz	XQROPGSOBPPPJV-GOSISDBHSA-N	-1	1	426.476	3.080	50	30		IGEAMM
N#CC(=C([N-]S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1	ZINC000012559809	526504923	/nfs/dbraw/zinc/50/49/23/526504923.db2.gz	SZYPUCCLIISOFX-ZRRMFLMDSA-N	-1	1	434.502	3.470	50	30		IGEAMM
CCCc1cc(=O)[n-]c(NC(=NC(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)n1	ZINC000018266320	556688741	/nfs/dbraw/zinc/68/87/41/556688741.db2.gz	JYPUXEFQENODGF-UHFFFAOYSA-N	-1	1	433.468	3.214	50	30		IGEAMM
C/N=C1/S/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C(=O)N1C	ZINC000033286691	557063911	/nfs/dbraw/zinc/06/39/11/557063911.db2.gz	WOJYCUUESAWVSN-WYNVZTKNSA-N	-1	1	436.125	3.458	50	30		IGEAMM
CCC(=O)N(Cc1cccc(C#N)c1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O	ZINC000101878418	557304312	/nfs/dbraw/zinc/30/43/12/557304312.db2.gz	IBKOEVYVAOOKJG-UHFFFAOYSA-N	-1	1	426.480	3.132	50	30		IGEAMM
CN1c2ccccc2S/C1=C1\SC(=Nc2nn[n-]n2)N(CCc2ccccc2)C1=O	ZINC000004089398	569458771	/nfs/dbraw/zinc/45/87/71/569458771.db2.gz	PHAIEPVFOUWINR-YJMJMZFLSA-N	-1	1	435.538	3.417	50	30		IGEAMM
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000008438520	569464316	/nfs/dbraw/zinc/46/43/16/569464316.db2.gz	NRQKLKBTAGRHEI-FQEVSTJZSA-N	-1	1	425.437	3.152	50	30		IGEAMM
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCC(=O)[O-])ccc1O	ZINC000008438519	569464349	/nfs/dbraw/zinc/46/43/49/569464349.db2.gz	NRQKLKBTAGRHEI-HXUWFJFHSA-N	-1	1	425.437	3.152	50	30		IGEAMM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2cccs2)s1	ZINC000008845840	569478945	/nfs/dbraw/zinc/47/89/45/569478945.db2.gz	QBCJJILILSZGKL-INIZCTEOSA-N	-1	1	441.490	3.462	50	30		IGEAMM
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1	ZINC000021712979	518929879	/nfs/dbraw/zinc/92/98/79/518929879.db2.gz	XBGGHWJYIKFWNM-HXUWFJFHSA-N	-1	1	441.553	3.011	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(=O)OC)cc1)C(C(=O)OCC)=C(C)N2	ZINC000013114406	519081285	/nfs/dbraw/zinc/08/12/85/519081285.db2.gz	AZDKDAYYLKIPII-INIZCTEOSA-N	-1	1	441.509	3.229	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)OC)cc1)C(C(=O)OCC)=C(C)N2	ZINC000013114405	519081821	/nfs/dbraw/zinc/08/18/21/519081821.db2.gz	AZDKDAYYLKIPII-MRXNPFEDSA-N	-1	1	441.509	3.229	50	30		IGEAMM
CCCSc1nnc(NC(=O)CSc2nnc(NN=Cc3ccc(C)o3)[n-]2)s1	ZINC000020595766	520571234	/nfs/dbraw/zinc/57/12/34/520571234.db2.gz	BHFHHMLQBRDVMF-FRKPEAEDSA-N	-1	1	438.564	3.237	50	30		IGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000012468691	523573585	/nfs/dbraw/zinc/57/35/85/523573585.db2.gz	WUQMOCJWYXPFOO-HXUWFJFHSA-N	-1	1	447.447	3.285	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000012468691	523573592	/nfs/dbraw/zinc/57/35/92/523573592.db2.gz	WUQMOCJWYXPFOO-HXUWFJFHSA-N	-1	1	447.447	3.285	50	30		IGEAMM
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)[O-])c1	ZINC000013424155	524892108	/nfs/dbraw/zinc/89/21/08/524892108.db2.gz	VUAJKJXOSQYKCZ-HXUWFJFHSA-N	-1	1	425.437	3.065	50	30		IGEAMM
CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(F)cc1	ZINC000015857560	556558320	/nfs/dbraw/zinc/55/83/20/556558320.db2.gz	YIUFVIZOCOHLIG-RIDKEVFESA-N	-1	1	445.472	3.200	50	30		IGEAMM
C=CCSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(Br)cc1C)CC(=O)N2	ZINC000046074499	557030728	/nfs/dbraw/zinc/03/07/28/557030728.db2.gz	WQSJIHPDZJGPFN-LLVKDONJSA-N	-1	1	449.330	3.183	50	30		IGEAMM
CCC(=O)N(Cc1ccc(C#N)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O	ZINC000101878373	557304332	/nfs/dbraw/zinc/30/43/32/557304332.db2.gz	MFLGDJPCOMUFCQ-UHFFFAOYSA-N	-1	1	426.480	3.132	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102798299	557389147	/nfs/dbraw/zinc/38/91/47/557389147.db2.gz	XNMQMBMGZPIJFE-SELCWUDQSA-N	-1	1	437.477	3.490	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000009280118	569518494	/nfs/dbraw/zinc/51/84/94/569518494.db2.gz	BRMOGWKRLLNDMX-HVESIFNPSA-N	-1	1	430.800	3.145	50	30		IGEAMM
C=CCn1c(SCC(=O)c2ccc([O-])cc2O)nnc1[C@H]1COc2ccccc2O1	ZINC000021163885	519232411	/nfs/dbraw/zinc/23/24/11/519232411.db2.gz	DKOSARJYUGPMHV-LJQANCHMSA-N	-1	1	425.466	3.363	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1	ZINC000013510929	527584708	/nfs/dbraw/zinc/58/47/08/527584708.db2.gz	YJSSSOHKFILIOR-SFHVURJKSA-N	-1	1	428.372	3.177	50	30		IGEAMM
CN1[N-]C(=O)C(=NNc2ccc(Br)cc2)C1=NC(=O)c1ccc(Cl)cc1	ZINC000016949196	557158322	/nfs/dbraw/zinc/15/83/22/557158322.db2.gz	RVHLNYCWBLZFLC-RVVQFRNZSA-N	-1	1	434.681	3.086	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1	ZINC000102579747	557355536	/nfs/dbraw/zinc/35/55/36/557355536.db2.gz	MHWAPMNQZFOBEY-SXWSKBOKSA-N	-1	1	429.479	3.488	50	30		IGEAMM
C=CCOc1c(I)cc(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000015685775	568828633	/nfs/dbraw/zinc/82/86/33/568828633.db2.gz	GJAHOBFMKKKTCK-XFFZJAGNSA-N	-1	1	433.292	3.353	50	30		IGEAMM
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C(=O)[N-]C1=S	ZINC000000681110	568832073	/nfs/dbraw/zinc/83/20/73/568832073.db2.gz	VJOCDRAEWHBVHP-WQRHYEAKSA-N	-1	1	437.521	3.002	50	30		IGEAMM
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000217786111	569453232	/nfs/dbraw/zinc/45/32/32/569453232.db2.gz	ORTXBKABLWCHPW-OAHLLOKOSA-N	-1	1	426.421	3.250	50	30		IGEAMM
N#Cc1cc2c(nc1N1CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC1)CCCC2	ZINC000032104669	569460224	/nfs/dbraw/zinc/46/02/24/569460224.db2.gz	ZFJXPOVWTOFMKG-JOCHJYFZSA-N	-1	1	433.487	3.400	50	30		IGEAMM
O=C([O-])CCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1	ZINC000009353426	569524990	/nfs/dbraw/zinc/52/49/90/569524990.db2.gz	YKJNMESZUNJTKK-SELCWUDQSA-N	-1	1	428.372	3.020	50	30		IGEAMM
C=CCn1c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)nnc1C1CCCCC1	ZINC000012531737	519204185	/nfs/dbraw/zinc/20/41/85/519204185.db2.gz	JSYFREZPSNZXRA-UHFFFAOYSA-N	-1	1	429.502	3.469	50	30		IGEAMM
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1	ZINC000102804750	522162042	/nfs/dbraw/zinc/16/20/42/522162042.db2.gz	AQVDBZIIJZCRKU-YDJIHCHBSA-N	-1	1	448.431	3.405	50	30		IGEAMM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102434221	523376740	/nfs/dbraw/zinc/37/67/40/523376740.db2.gz	OTURDENQGARQHN-NHFXJNLRSA-N	-1	1	447.447	3.129	50	30		IGEAMM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102434221	523376748	/nfs/dbraw/zinc/37/67/48/523376748.db2.gz	OTURDENQGARQHN-NHFXJNLRSA-N	-1	1	447.447	3.129	50	30		IGEAMM
Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)n1	ZINC000006025912	524591569	/nfs/dbraw/zinc/59/15/69/524591569.db2.gz	LUKUQKDNAJQMFO-RGVLZGJSSA-N	-1	1	427.442	3.259	50	30		IGEAMM
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC	ZINC000013550933	525223854	/nfs/dbraw/zinc/22/38/54/525223854.db2.gz	VBOZCKDMXGXZLA-MRXNPFEDSA-N	-1	1	427.438	3.240	50	30		IGEAMM
COc1ccc([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000022607035	525276889	/nfs/dbraw/zinc/27/68/89/525276889.db2.gz	QEHMSGLITYLISJ-IBGZPJMESA-N	-1	1	436.512	3.342	50	30		IGEAMM
COc1ccc([C@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1OC	ZINC000022607033	525438905	/nfs/dbraw/zinc/43/89/05/525438905.db2.gz	QEHMSGLITYLISJ-LJQANCHMSA-N	-1	1	436.512	3.342	50	30		IGEAMM
COc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(Cl)cc1	ZINC000016115485	556583801	/nfs/dbraw/zinc/58/38/01/556583801.db2.gz	FPVWONMODUMUJO-KQFRHJRUSA-N	-1	1	447.900	3.324	50	30		IGEAMM
O=C([O-])CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019883506	556937668	/nfs/dbraw/zinc/93/76/68/556937668.db2.gz	REZWJDQTDAKISV-QGZVFWFLSA-N	-1	1	430.800	3.301	50	30		IGEAMM
COC(=O)CC(c1cc2cc(OC)ccc2[nH]c1=O)=C1C(=O)c2ccccc2C(O)=C1[O-]	ZINC000217861642	569454167	/nfs/dbraw/zinc/45/41/67/569454167.db2.gz	MKTBKFJFXNLLKW-INIZCTEOSA-N	-1	1	433.416	3.075	50	30		IGEAMM
C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2OCC(C)(C)C1=O	ZINC000009166765	569508936	/nfs/dbraw/zinc/50/89/36/569508936.db2.gz	IFNKYKISIBAKLT-UHFFFAOYSA-N	-1	1	446.525	3.442	50	30		IGEAMM
CCN(CC)c1ccc(C=CC(=O)c2c(=O)[nH]c(=O)n(CCc3ccccc3)c2[O-])cc1	ZINC000009235241	569514079	/nfs/dbraw/zinc/51/40/79/569514079.db2.gz	SXJRCWXORBRSOF-NTCAYCPXSA-N	-1	1	433.508	3.227	50	30		IGEAMM
C=CCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(CCCC)[C@H]2CCC)C1=O	ZINC000009240863	569514629	/nfs/dbraw/zinc/51/46/29/569514629.db2.gz	IXRXHULXHKRONE-AVRDEDQJSA-N	-1	1	428.489	3.177	50	30		IGEAMM