smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S1(=O)CC[C@H](N2CCN(Cc3cc(F)ccc3O)CC2)C1	ZINC000179889162	437276436	/nfs/dbraw/zinc/27/64/36/437276436.db2.gz	AQEPWXRNSKCXFK-AWEZNQCLSA-N	-1	0	328.409	0.836	20	10		ECCDRM
COc1c([O-])c(C[NH2+]CCS(=O)(=O)N(C)C)ccc1[N+](=O)[O-]	ZINC000290798238	437530437	/nfs/dbraw/zinc/53/04/37/437530437.db2.gz	FCJRLJXQKVQPEW-UHFFFAOYSA-N	-1	0	333.366	0.290	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCC2)cc1C(=O)[O-]	ZINC000795320398	578608127	/nfs/dbraw/zinc/60/81/27/578608127.db2.gz	QDDMDUJDJVUAOW-UHFFFAOYSA-N	-1	0	349.390	0.119	20	10		ECCDRM
COc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)cc1F	ZINC000781164893	578706036	/nfs/dbraw/zinc/70/60/36/578706036.db2.gz	RWDXFVVLXVXDKA-UHFFFAOYSA-N	-1	0	325.340	0.157	20	10		ECCDRM
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000773745597	579232890	/nfs/dbraw/zinc/23/28/90/579232890.db2.gz	MQYZEQGCRORIKU-VIFPVBQESA-N	-1	0	343.343	0.230	20	10		ECCDRM
CS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000776435006	579281510	/nfs/dbraw/zinc/28/15/10/579281510.db2.gz	VJVSTRLBWISVMC-UHFFFAOYSA-N	-1	0	337.375	0.267	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C(=O)[O-]	ZINC000843056154	589048303	/nfs/dbraw/zinc/04/83/03/589048303.db2.gz	VKKNTUNNPQLZJL-WCQYABFASA-N	-1	0	334.372	0.920	20	10		ECCDRM
CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823567236	587730888	/nfs/dbraw/zinc/73/08/88/587730888.db2.gz	GBYMKLKXTJIZSJ-HZMBPMFUSA-N	-1	0	336.392	0.702	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2COCCO2)NC(=O)[O-])cc1	ZINC000828055756	588155688	/nfs/dbraw/zinc/15/56/88/588155688.db2.gz	JPVACGVFIOWHEO-UONOGXRCSA-N	-1	0	337.376	0.593	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)C2CC2)NC(=O)[O-])cc1	ZINC000828064527	588156244	/nfs/dbraw/zinc/15/62/44/588156244.db2.gz	RTBSROHYYMGMHK-CQSZACIVSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cc(C(=O)[O-])nn1	ZINC000830643164	588379878	/nfs/dbraw/zinc/37/98/78/588379878.db2.gz	DYONIDKUJCLUFZ-UHFFFAOYSA-N	-1	0	331.332	0.468	20	10		ECCDRM
COc1ccc(N2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1F	ZINC000832384072	588480835	/nfs/dbraw/zinc/48/08/35/588480835.db2.gz	RXKPOBGDMMUZTC-UHFFFAOYSA-N	-1	0	339.367	0.547	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1	ZINC000832699514	588497744	/nfs/dbraw/zinc/49/77/44/588497744.db2.gz	JDHIZTNRZGHFIJ-ZDUSSCGKSA-N	-1	0	346.336	0.403	20	10		ECCDRM
O=C([O-])N1CC(CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000834047491	588590765	/nfs/dbraw/zinc/59/07/65/588590765.db2.gz	DJWRHNJMZWFDOL-UHFFFAOYSA-N	-1	0	348.403	0.932	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H]2CCCO2)nn1	ZINC000865219419	590134229	/nfs/dbraw/zinc/13/42/29/590134229.db2.gz	XLYWTMUZRRPOIC-AHSSXEFNSA-N	-1	0	339.355	0.919	20	10		ECCDRM
O=C(CO)NCCC(=O)NCc1cccc(Br)c1O	ZINC000907759488	609618902	/nfs/dbraw/zinc/61/89/02/609618902.db2.gz	ZERYSFVSDNCECZ-UHFFFAOYSA-N	-1	0	331.166	0.270	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CN(C)[C@H](C)C(=O)[O-])CC2)cc1	ZINC000269306692	436656994	/nfs/dbraw/zinc/65/69/94/436656994.db2.gz	ULNHVAQYDHDKIW-CYBMUJFWSA-N	-1	0	335.404	0.749	20	10		ECCDRM
Cn1cc(/C=C\C(=O)N(CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000492208748	439508035	/nfs/dbraw/zinc/50/80/35/439508035.db2.gz	ORAOZCLGABNUSP-HJWRWDBZSA-N	-1	0	343.339	0.215	20	10		ECCDRM
NC(=O)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)SC1=S	ZINC000727176730	578156360	/nfs/dbraw/zinc/15/63/60/578156360.db2.gz	ZAKHJWGNHBPYBA-WTKPLQERSA-N	-1	0	339.354	0.987	20	10		ECCDRM
O=S1(=O)NC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN21	ZINC000897279237	586292886	/nfs/dbraw/zinc/29/28/86/586292886.db2.gz	JZWUHHYKOWYXFT-JTQLQIEISA-N	-1	0	335.788	0.519	20	10		ECCDRM
O=S1(=O)CC[C@H](N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1	ZINC000893910653	586366204	/nfs/dbraw/zinc/36/62/04/586366204.db2.gz	HMJIZZGFZJJOOW-ZDUSSCGKSA-N	-1	0	346.399	0.975	20	10		ECCDRM
NC(=O)c1cn(C2CN(Cc3cc(Cl)c(F)cc3[O-])C2)nn1	ZINC000839143797	586839413	/nfs/dbraw/zinc/83/94/13/586839413.db2.gz	PWRNTEVFFUINDQ-UHFFFAOYSA-N	-1	0	325.731	0.932	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)C[C@@H](C)OC)ccc1[O-]	ZINC000800842252	586974655	/nfs/dbraw/zinc/97/46/55/586974655.db2.gz	SHASBBXKLWJXNQ-MRVPVSSYSA-N	-1	0	338.407	0.077	20	10		ECCDRM
CC(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000819972617	587499983	/nfs/dbraw/zinc/49/99/83/587499983.db2.gz	RQSPZMWIUBZHAO-NSHDSACASA-N	-1	0	344.389	0.993	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055046	588155782	/nfs/dbraw/zinc/15/57/82/588155782.db2.gz	BWROZUCIBVKPLB-WCQYABFASA-N	-1	0	334.376	0.314	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2CNC(=O)[O-])cc1	ZINC000828507030	588185333	/nfs/dbraw/zinc/18/53/33/588185333.db2.gz	MDJLIMLEERTBPK-HNNXBMFYSA-N	-1	0	349.435	0.846	20	10		ECCDRM
O=C([O-])N1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000831715545	588444020	/nfs/dbraw/zinc/44/40/20/588444020.db2.gz	SRZYIHKXEMOZBR-OAHLLOKOSA-N	-1	0	349.387	0.518	20	10		ECCDRM
C[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000848607982	589303325	/nfs/dbraw/zinc/30/33/25/589303325.db2.gz	NLPQYIMNLISMPZ-LLVKDONJSA-N	-1	0	333.388	0.522	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccn(C)n2)cc1	ZINC000853004176	589529233	/nfs/dbraw/zinc/52/92/33/589529233.db2.gz	ANBHSCCDSILNOZ-UHFFFAOYSA-N	-1	0	346.387	0.679	20	10		ECCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCOCC1	ZINC000911360390	609856363	/nfs/dbraw/zinc/85/63/63/609856363.db2.gz	RCZKDANWDJEIPU-UHFFFAOYSA-N	-1	0	342.779	0.791	20	10		ECCDRM
O=C1NC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN2C1=O	ZINC000191437293	437654819	/nfs/dbraw/zinc/65/48/19/437654819.db2.gz	LNHCMQUGYWQQMN-MRVPVSSYSA-N	-1	0	327.743	0.327	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC000797432837	578633983	/nfs/dbraw/zinc/63/39/83/578633983.db2.gz	VCGRRGLYBRGMKM-UHFFFAOYSA-N	-1	0	331.379	0.087	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1C(=O)[O-]	ZINC000843056153	589048510	/nfs/dbraw/zinc/04/85/10/589048510.db2.gz	VKKNTUNNPQLZJL-DGCLKSJQSA-N	-1	0	334.372	0.920	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000888341803	586772532	/nfs/dbraw/zinc/77/25/32/586772532.db2.gz	SCFAEQVNRTZGLJ-LBPRGKRZSA-N	-1	0	345.407	0.834	20	10		ECCDRM
CCn1[nH]c(C)nc1=NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000839903053	586966394	/nfs/dbraw/zinc/96/63/94/586966394.db2.gz	UCVDNTDYYKLMQY-UHFFFAOYSA-N	-1	0	339.377	0.358	20	10		ECCDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1	ZINC000817110793	587333066	/nfs/dbraw/zinc/33/30/66/587333066.db2.gz	NDSVSCCGHZFNKV-SECBINFHSA-N	-1	0	343.430	0.675	20	10		ECCDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000817116087	587334115	/nfs/dbraw/zinc/33/41/15/587334115.db2.gz	QDUQBAVRBPQKIR-CQSZACIVSA-N	-1	0	343.383	0.612	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000817888114	587390769	/nfs/dbraw/zinc/39/07/69/587390769.db2.gz	ATOPFPHTNQBULX-CQSZACIVSA-N	-1	0	349.387	0.023	20	10		ECCDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000817887933	587390867	/nfs/dbraw/zinc/39/08/67/587390867.db2.gz	HIJDSXVCYXTZAD-GXTWGEPZSA-N	-1	0	347.415	0.938	20	10		ECCDRM
O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)o2)SC1=S	ZINC000823387443	587719338	/nfs/dbraw/zinc/71/93/38/587719338.db2.gz	KBUVQUAQSDVMDA-CLTKARDFSA-N	-1	0	337.342	0.746	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)Cn2cncn2)NC(=O)[O-])cc1	ZINC000828064018	588155934	/nfs/dbraw/zinc/15/59/34/588155934.db2.gz	KYQASJYJGYHUHK-CYBMUJFWSA-N	-1	0	332.364	0.469	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CC(=O)N1	ZINC000831706683	588442950	/nfs/dbraw/zinc/44/29/50/588442950.db2.gz	KBZXZAQVDMTQDE-LLVKDONJSA-N	-1	0	340.763	0.826	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)cc1	ZINC000851684077	589413046	/nfs/dbraw/zinc/41/30/46/589413046.db2.gz	WGVOJRGCGUVPMW-VXGBXAGGSA-N	-1	0	349.387	0.227	20	10		ECCDRM
Cc1cc(CC(=O)[N-]S(=O)(=O)CC(N)=O)c(C)n1-c1ccccc1	ZINC000853115244	589532482	/nfs/dbraw/zinc/53/24/82/589532482.db2.gz	HFYPOYDMFZLUBF-UHFFFAOYSA-N	-1	0	349.412	0.568	20	10		ECCDRM
O=C(Cn1cc(NCc2ccc(F)c(F)c2[O-])cn1)NCCO	ZINC000877171962	590442909	/nfs/dbraw/zinc/44/29/09/590442909.db2.gz	IBYBHIQAYIRNEW-UHFFFAOYSA-N	-1	0	326.303	0.588	20	10		ECCDRM
CCOC(=O)Cc1cc(=O)n(C2=NS(=O)(=O)c3ccccc32)[n-]1	ZINC000917348342	609970633	/nfs/dbraw/zinc/97/06/33/609970633.db2.gz	OKCCOINYPJBEQO-UHFFFAOYSA-N	-1	0	335.341	0.677	20	10		ECCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000842572146	611315673	/nfs/dbraw/zinc/31/56/73/611315673.db2.gz	CDCFVDNSQDXQBC-YPMHNXCESA-N	-1	0	333.388	0.725	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)CCC(=O)[O-])CC2)cc1	ZINC000842585907	611315796	/nfs/dbraw/zinc/31/57/96/611315796.db2.gz	JIFIHMCPSKUDFI-UHFFFAOYSA-N	-1	0	335.404	0.798	20	10		ECCDRM
Cn1ccsc1=NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000299737702	742027750	/nfs/dbraw/zinc/02/77/50/742027750.db2.gz	AIOGBFURQGFHQA-UHFFFAOYSA-N	-1	0	327.387	0.905	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1F	ZINC000730539067	578307257	/nfs/dbraw/zinc/30/72/57/578307257.db2.gz	HTLSOOIPKUYUIG-UHFFFAOYSA-N	-1	0	344.350	0.593	20	10		ECCDRM
C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737746708	578522567	/nfs/dbraw/zinc/52/25/67/578522567.db2.gz	YFIPRLTYBGICRA-DNKNOMGSSA-N	-1	0	338.389	0.474	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCCCC2)ccc1[O-]	ZINC000790408188	578873475	/nfs/dbraw/zinc/87/34/75/578873475.db2.gz	UOSRKXWEBFYAAU-UHFFFAOYSA-N	-1	0	349.434	0.443	20	10		ECCDRM
NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1[O-]	ZINC000895371266	586178746	/nfs/dbraw/zinc/17/87/46/586178746.db2.gz	OFMSNOKMMURRPU-SCZZXKLOSA-N	-1	0	333.157	0.714	20	10		ECCDRM
NC(=O)CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1=O	ZINC000839168998	586839646	/nfs/dbraw/zinc/83/96/46/586839646.db2.gz	DPEGIPATHQWGSF-UHFFFAOYSA-N	-1	0	342.739	0.083	20	10		ECCDRM
CC(C)N(CC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000820004072	587502241	/nfs/dbraw/zinc/50/22/41/587502241.db2.gz	CPRIJFGNMJQPSE-UHFFFAOYSA-N	-1	0	330.362	0.699	20	10		ECCDRM
CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823539111	587728162	/nfs/dbraw/zinc/72/81/62/587728162.db2.gz	VRXAVKZWWQFYGZ-CQSZACIVSA-N	-1	0	336.392	0.656	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cnn(C)n2)cc1	ZINC000853008087	589529222	/nfs/dbraw/zinc/52/92/22/589529222.db2.gz	JGCCGEQYBPBBSZ-UHFFFAOYSA-N	-1	0	333.348	0.031	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000855231520	589623600	/nfs/dbraw/zinc/62/36/00/589623600.db2.gz	BIRPSWPVQKNDDK-VIFPVBQESA-N	-1	0	331.332	0.300	20	10		ECCDRM
O=C(c1cccc(O)c1O)N1CCN(CCc2cnccn2)CC1	ZINC000871218156	590055135	/nfs/dbraw/zinc/05/51/35/590055135.db2.gz	HDROBQIZEJCYGB-UHFFFAOYSA-N	-1	0	328.372	0.888	20	10		ECCDRM
O=C([O-])C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1	ZINC000325721306	602322332	/nfs/dbraw/zinc/32/23/32/602322332.db2.gz	UIZQXGWIUYIXAJ-MRVPVSSYSA-N	-1	0	337.288	0.606	20	10		ECCDRM
O=C(C(=O)N1CCN(Cc2cc(F)ccc2O)CC1)N1CCCC1	ZINC000179942070	437277697	/nfs/dbraw/zinc/27/76/97/437277697.db2.gz	UGTQDVGYCNMXPG-UHFFFAOYSA-N	-1	0	335.379	0.798	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N(C)C(C)C)ccc1[O-]	ZINC000790408439	578873328	/nfs/dbraw/zinc/87/33/28/578873328.db2.gz	ZHZOESQREAVFRY-UHFFFAOYSA-N	-1	0	337.423	0.297	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)CCC2CC2)ccc1[O-]	ZINC000790406182	578873461	/nfs/dbraw/zinc/87/34/61/578873461.db2.gz	DJOIEZADDGGPAT-UHFFFAOYSA-N	-1	0	334.419	0.842	20	10		ECCDRM
O=C1NC(=O)N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@H]12	ZINC000779433082	579315852	/nfs/dbraw/zinc/31/58/52/579315852.db2.gz	PLDZLLXKFAJUGK-SNVBAGLBSA-N	-1	0	340.723	0.690	20	10		ECCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2C[C@@H](O)CN1CCOCC1	ZINC000740674227	579758898	/nfs/dbraw/zinc/75/88/98/579758898.db2.gz	OBVNYQYAVUECLM-INIZCTEOSA-N	-1	0	349.431	0.900	20	10		ECCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)NCCC(=O)[O-])cc1F	ZINC000817110339	587333081	/nfs/dbraw/zinc/33/30/81/587333081.db2.gz	BXOWFQVSXIAXPJ-UHFFFAOYSA-N	-1	0	339.367	0.879	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000817114663	587333833	/nfs/dbraw/zinc/33/38/33/587333833.db2.gz	JSOWKINSVOXRJM-CYBMUJFWSA-N	-1	0	333.388	0.610	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)Cn3cc(C(=O)[O-])nn3)ccc21	ZINC000830946350	588394341	/nfs/dbraw/zinc/39/43/41/588394341.db2.gz	KLFLMYLVOIMAPQ-UHFFFAOYSA-N	-1	0	329.360	0.675	20	10		ECCDRM
O=C([O-])N1CCC[C@@H](OCC(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000834011615	588586949	/nfs/dbraw/zinc/58/69/49/588586949.db2.gz	YYEBJTGJAJFXDJ-GFCCVEGCSA-N	-1	0	338.360	0.916	20	10		ECCDRM
CC[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000927954897	611663948	/nfs/dbraw/zinc/66/39/48/611663948.db2.gz	AYGVQMNWIMHJDD-ZDUSSCGKSA-N	-1	0	335.404	0.938	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1	ZINC000797431135	578633840	/nfs/dbraw/zinc/63/38/40/578633840.db2.gz	HZPZUQBAJUBGER-UHFFFAOYSA-N	-1	0	345.406	0.395	20	10		ECCDRM
CN(C1CCOCC1)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000776435063	579281467	/nfs/dbraw/zinc/28/14/67/579281467.db2.gz	XPBDVMNOSYKFEK-UHFFFAOYSA-N	-1	0	330.362	0.858	20	10		ECCDRM
O=C1NC(=O)N2CCN(Cc3cccc(Br)c3[O-])C[C@H]12	ZINC000779433070	579315882	/nfs/dbraw/zinc/31/58/82/579315882.db2.gz	PAVWQKFSJYLLTN-SNVBAGLBSA-N	-1	0	340.177	0.891	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@H]3COCCN3C(=O)[O-])CC2)cc1	ZINC000739911035	579721673	/nfs/dbraw/zinc/72/16/73/579721673.db2.gz	VNAPGCBECQGKMC-OAHLLOKOSA-N	-1	0	349.387	0.723	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-]	ZINC000843257329	589057210	/nfs/dbraw/zinc/05/72/10/589057210.db2.gz	OSPIEPFSNXHGEF-DOMZBBRYSA-N	-1	0	347.415	0.938	20	10		ECCDRM
COCCOCc1cc(=O)n(C2=NS(=O)(=O)c3ccccc32)[n-]1	ZINC000905018427	586862747	/nfs/dbraw/zinc/86/27/47/586862747.db2.gz	PQDJMHRKOFXDDJ-UHFFFAOYSA-N	-1	0	337.357	0.387	20	10		ECCDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000817106210	587332576	/nfs/dbraw/zinc/33/25/76/587332576.db2.gz	FJNCZZNHEPMVBR-LBPRGKRZSA-N	-1	0	347.415	0.864	20	10		ECCDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000833739547	588564219	/nfs/dbraw/zinc/56/42/19/588564219.db2.gz	ICOVPQCRCXKNKG-WCQYABFASA-N	-1	0	348.403	0.661	20	10		ECCDRM
NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000833983679	588583986	/nfs/dbraw/zinc/58/39/86/588583986.db2.gz	WEYKGTVINXERKG-LBPRGKRZSA-N	-1	0	335.360	0.399	20	10		ECCDRM
CN(C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279765	589195074	/nfs/dbraw/zinc/19/50/74/589195074.db2.gz	KHFKARYSRXRDOF-LBPRGKRZSA-N	-1	0	342.417	0.868	20	10		ECCDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000848608075	589303246	/nfs/dbraw/zinc/30/32/46/589303246.db2.gz	PRLHMDOWBKYJRY-GFCCVEGCSA-N	-1	0	333.388	0.740	20	10		ECCDRM
COC1CCN(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])CC1	ZINC000849217179	589322821	/nfs/dbraw/zinc/32/28/21/589322821.db2.gz	AZRHDOFDLSRAKO-UHFFFAOYSA-N	-1	0	330.362	0.858	20	10		ECCDRM
COc1cc(OC)c(C(=O)[O-])cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000863176807	589991624	/nfs/dbraw/zinc/99/16/24/589991624.db2.gz	DPDQBEJSLVRGDF-UHFFFAOYSA-N	-1	0	348.311	0.836	20	10		ECCDRM
CS(=O)(=O)NC[C@@H]1COCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000864052904	590052766	/nfs/dbraw/zinc/05/27/66/590052766.db2.gz	BTAUWHGOBWGBGX-SNVBAGLBSA-N	-1	0	336.360	0.420	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H]2CCOC2)nn1	ZINC000865217004	590134128	/nfs/dbraw/zinc/13/41/28/590134128.db2.gz	HFARMXWGYJRUQV-PWDRSIHYSA-N	-1	0	339.355	0.776	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CCCc3nnn[n-]3)CC2)cc1	ZINC000873778750	590201340	/nfs/dbraw/zinc/20/13/40/590201340.db2.gz	IMPUOBQNVJHRKY-UHFFFAOYSA-N	-1	0	330.392	0.880	20	10		ECCDRM
CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000927942029	611661765	/nfs/dbraw/zinc/66/17/65/611661765.db2.gz	UUCGNHRWEFVJAZ-LLVKDONJSA-N	-1	0	339.367	0.735	20	10		ECCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000842572143	611315428	/nfs/dbraw/zinc/31/54/28/611315428.db2.gz	CDCFVDNSQDXQBC-AAEUAGOBSA-N	-1	0	333.388	0.725	20	10		ECCDRM
COCCN(CCOC)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000274913835	436892433	/nfs/dbraw/zinc/89/24/33/436892433.db2.gz	LHFLBDLQTROBCX-UHFFFAOYSA-N	-1	0	348.377	0.342	20	10		ECCDRM
Cc1nn(C)c(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)c1[N+](=O)[O-]	ZINC000732070663	578318732	/nfs/dbraw/zinc/31/87/32/578318732.db2.gz	BOGHJOHFXPNCKF-UHFFFAOYSA-N	-1	0	333.333	0.633	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)c3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000732922883	578331123	/nfs/dbraw/zinc/33/11/23/578331123.db2.gz	CWUJMCZPVVTFGO-UHFFFAOYSA-N	-1	0	346.391	0.071	20	10		ECCDRM
CNC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000737542721	578505451	/nfs/dbraw/zinc/50/54/51/578505451.db2.gz	HMDIRAIOQPZWEX-UHFFFAOYSA-N	-1	0	329.740	0.388	20	10		ECCDRM
O=C([O-])CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000780609849	578697334	/nfs/dbraw/zinc/69/73/34/578697334.db2.gz	OWOVRXZWHCKALF-UHFFFAOYSA-N	-1	0	325.340	0.671	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@H]2C)ccc1[O-]	ZINC000790404524	578873299	/nfs/dbraw/zinc/87/32/99/578873299.db2.gz	FANWSGLIDXDTPI-SECBINFHSA-N	-1	0	349.434	0.441	20	10		ECCDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	ZINC000817896602	587391294	/nfs/dbraw/zinc/39/12/94/587391294.db2.gz	LTZMDMNZKYQDPR-AAEUAGOBSA-N	-1	0	334.372	0.920	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CCNC(N)=O)NC(=O)[O-])cc1	ZINC000828063369	588155902	/nfs/dbraw/zinc/15/59/02/588155902.db2.gz	FAKGTEGWXDSXGJ-GFCCVEGCSA-N	-1	0	337.380	0.236	20	10		ECCDRM
COc1ccc(O)c([C@@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])c1	ZINC000833733184	588563677	/nfs/dbraw/zinc/56/36/77/588563677.db2.gz	BPZKYNCTPPMGLK-SECBINFHSA-N	-1	0	332.378	0.703	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)cc1	ZINC000855231472	589623566	/nfs/dbraw/zinc/62/35/66/589623566.db2.gz	AKYHUBMYXGVKGY-NSHDSACASA-N	-1	0	344.371	0.503	20	10		ECCDRM
O=C([O-])C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868341827	589893841	/nfs/dbraw/zinc/89/38/41/589893841.db2.gz	UYUAQFJDBPPKMG-NSHDSACASA-N	-1	0	332.356	0.948	20	10		ECCDRM
O=C([O-])C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868341826	589893921	/nfs/dbraw/zinc/89/39/21/589893921.db2.gz	UYUAQFJDBPPKMG-LLVKDONJSA-N	-1	0	332.356	0.948	20	10		ECCDRM
CCN(CC(=O)NC)C(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872897254	590173007	/nfs/dbraw/zinc/17/30/07/590173007.db2.gz	ZVEXDAOCUFKVQO-UHFFFAOYSA-N	-1	0	337.376	0.181	20	10		ECCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C2CC2)C1	ZINC000911484329	609882035	/nfs/dbraw/zinc/88/20/35/609882035.db2.gz	MJWYRZHGOFXSRD-LBPRGKRZSA-N	-1	0	332.356	0.816	20	10		ECCDRM
C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])C[C@H](C)O1	ZINC000314597058	749346410	/nfs/dbraw/zinc/34/64/10/749346410.db2.gz	CGKCLPFNIKAGIN-DTORHVGOSA-N	-1	0	330.362	0.856	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)c3cn[nH]n3)CC2)cc1	ZINC000299511250	437083641	/nfs/dbraw/zinc/08/36/41/437083641.db2.gz	SDRAGBLULGIXNJ-UHFFFAOYSA-N	-1	0	330.392	0.365	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)CNC(=O)[O-])CC2)cc1	ZINC000285813079	437085588	/nfs/dbraw/zinc/08/55/88/437085588.db2.gz	WNUAPIWQHYFSHA-UHFFFAOYSA-N	-1	0	336.392	0.201	20	10		ECCDRM
CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1	ZINC000373298650	438143208	/nfs/dbraw/zinc/14/32/08/438143208.db2.gz	BHRVQNYDIVAMPE-SNVBAGLBSA-N	-1	0	328.390	0.560	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CC[C@@H](C)C2)ccc1[O-]	ZINC000790407761	578873368	/nfs/dbraw/zinc/87/33/68/578873368.db2.gz	PQKVCWPQWWIMJZ-SECBINFHSA-N	-1	0	349.434	0.299	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000738021935	579595608	/nfs/dbraw/zinc/59/56/08/579595608.db2.gz	KGLIJHOTIOTULU-HZPDHXFCSA-N	-1	0	347.415	0.654	20	10		ECCDRM
O=C([O-])CN(CC(=O)N1CCOCC1)Cc1cc(Cl)ccc1O	ZINC000739783804	579712469	/nfs/dbraw/zinc/71/24/69/579712469.db2.gz	LIZGVOBXWYWUQL-UHFFFAOYSA-N	-1	0	342.779	0.791	20	10		ECCDRM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(F)cc(F)c1[O-]	ZINC000893961044	586367552	/nfs/dbraw/zinc/36/75/52/586367552.db2.gz	CATUFVDMNUZTJW-LLVKDONJSA-N	-1	0	348.371	0.406	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000888322335	586768932	/nfs/dbraw/zinc/76/89/32/586768932.db2.gz	ACNBWBYTVJBDGR-GFCCVEGCSA-N	-1	0	345.407	0.772	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)ccc21	ZINC000817107438	587333027	/nfs/dbraw/zinc/33/30/27/587333027.db2.gz	PRFWNHBQUCGFIK-AWEZNQCLSA-N	-1	0	345.399	0.618	20	10		ECCDRM
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCCC(=O)[O-])C2)cc1	ZINC000818657828	587443824	/nfs/dbraw/zinc/44/38/24/587443824.db2.gz	LSRHMOAOULAMST-GFCCVEGCSA-N	-1	0	349.387	0.229	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCC(=O)[O-])c1	ZINC000820894460	587562216	/nfs/dbraw/zinc/56/22/16/587562216.db2.gz	UMBYAWKDIJMCQF-UHFFFAOYSA-N	-1	0	330.362	0.748	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055803	588155804	/nfs/dbraw/zinc/15/58/04/588155804.db2.gz	KFIUDNUFRQCJCL-TZMCWYRMSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)C(=O)COC1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000830552103	588375880	/nfs/dbraw/zinc/37/58/80/588375880.db2.gz	XBVGQABWUKVKNI-XQRVVYSFSA-N	-1	0	349.343	0.986	20	10		ECCDRM
CC(C)(CC(=O)[O-])NC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000833456474	588542399	/nfs/dbraw/zinc/54/23/99/588542399.db2.gz	XVRFACJFJBEJMN-UHFFFAOYSA-N	-1	0	330.362	0.747	20	10		ECCDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	ZINC000833739545	588564338	/nfs/dbraw/zinc/56/43/38/588564338.db2.gz	ICOVPQCRCXKNKG-AAEUAGOBSA-N	-1	0	348.403	0.661	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ncn(C)n2)cc1	ZINC000853006421	589529193	/nfs/dbraw/zinc/52/91/93/589529193.db2.gz	FPJWBFQGWAKSIN-UHFFFAOYSA-N	-1	0	333.348	0.031	20	10		ECCDRM
CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]21	ZINC000864050013	590052879	/nfs/dbraw/zinc/05/28/79/590052879.db2.gz	RFVJMUREFFJPNQ-WCQGTBRESA-N	-1	0	333.356	0.914	20	10		ECCDRM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(F)c1[O-]	ZINC000876616147	590392296	/nfs/dbraw/zinc/39/22/96/590392296.db2.gz	IMIWOZPKLMIRKK-SNVBAGLBSA-N	-1	0	348.371	0.406	20	10		ECCDRM
Cn1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)n1	ZINC000727354077	578158357	/nfs/dbraw/zinc/15/83/57/578158357.db2.gz	ZBMDJYIQXOBMMW-UHFFFAOYSA-N	-1	0	330.391	0.592	20	10		ECCDRM
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN2C1=O	ZINC000775736495	579270594	/nfs/dbraw/zinc/27/05/94/579270594.db2.gz	HAHFGGTVSSVMNJ-JTQLQIEISA-N	-1	0	327.743	0.327	20	10		ECCDRM
CN(CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000739692930	579704188	/nfs/dbraw/zinc/70/41/88/579704188.db2.gz	RJRXIMKALJKETO-UHFFFAOYSA-N	-1	0	336.392	0.932	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1	ZINC000740000832	579726660	/nfs/dbraw/zinc/72/66/60/579726660.db2.gz	LMWSXQDDDZKPDT-SECBINFHSA-N	-1	0	343.361	0.246	20	10		ECCDRM
COc1ccc(N2CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC2)cc1	ZINC000020184806	586168111	/nfs/dbraw/zinc/16/81/11/586168111.db2.gz	ICIJKOGTUQFIEC-LBPRGKRZSA-N	-1	0	342.417	0.868	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)C(=O)[O-])cc2)CC1	ZINC000842690979	589032549	/nfs/dbraw/zinc/03/25/49/589032549.db2.gz	IOEPRGJZFKEBBS-GFCCVEGCSA-N	-1	0	333.388	0.692	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000888322336	586768971	/nfs/dbraw/zinc/76/89/71/586768971.db2.gz	ACNBWBYTVJBDGR-LBPRGKRZSA-N	-1	0	345.407	0.772	20	10		ECCDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	ZINC000833820806	588569957	/nfs/dbraw/zinc/56/99/57/588569957.db2.gz	UJUHXEIHLZNBIO-FGEZKYSXSA-N	-1	0	338.360	0.675	20	10		ECCDRM
CS(=O)(=O)CC[C@@H](NC(=O)[O-])C(=O)NCc1ccccc1O	ZINC000833894592	588577042	/nfs/dbraw/zinc/57/70/42/588577042.db2.gz	MLYNFVUFTPWNPT-SNVBAGLBSA-N	-1	0	330.362	0.079	20	10		ECCDRM
C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000848607756	589303165	/nfs/dbraw/zinc/30/31/65/589303165.db2.gz	ICCVOCZPGIUHOV-QMMMGPOBSA-N	-1	0	331.419	0.578	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H](C)c2ncn(C)n2)cc1	ZINC000853007219	589529154	/nfs/dbraw/zinc/52/91/54/589529154.db2.gz	RLOSJTAMOMOUHQ-LLVKDONJSA-N	-1	0	347.375	0.592	20	10		ECCDRM
CCN1CC[C@H](NC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)C1=O	ZINC000853008299	589529191	/nfs/dbraw/zinc/52/91/91/589529191.db2.gz	NSKWWVDMFPEBDB-AWEZNQCLSA-N	-1	0	349.387	0.323	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1	ZINC000853342909	589541413	/nfs/dbraw/zinc/54/14/13/589541413.db2.gz	SAFCKYKISNMYHC-OAHLLOKOSA-N	-1	0	347.415	0.986	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC3(COC3)C2)c1	ZINC000856193701	589656790	/nfs/dbraw/zinc/65/67/90/589656790.db2.gz	MXMCPSSMCSIWHA-UHFFFAOYSA-N	-1	0	326.374	0.626	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H]2CCCO2)nn1	ZINC000865219420	590134134	/nfs/dbraw/zinc/13/41/34/590134134.db2.gz	XLYWTMUZRRPOIC-BUYRESAOSA-N	-1	0	339.355	0.919	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2COC[C@H]2OC)cc1	ZINC000872986879	590178458	/nfs/dbraw/zinc/17/84/58/590178458.db2.gz	UQFRUPFLMNMCPU-UONOGXRCSA-N	-1	0	338.360	0.116	20	10		ECCDRM
CC[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000927940912	611661635	/nfs/dbraw/zinc/66/16/35/611661635.db2.gz	HNLYKCCLCWFOQH-CYBMUJFWSA-N	-1	0	347.415	0.912	20	10		ECCDRM
NC(=O)CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000727175438	578156284	/nfs/dbraw/zinc/15/62/84/578156284.db2.gz	BIGPPLFJYMHPSQ-RUDMXATFSA-N	-1	0	339.354	0.987	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCNC(=O)[O-])cc2)C1	ZINC000739160150	579670597	/nfs/dbraw/zinc/67/05/97/579670597.db2.gz	MEGBBELIJUOONT-ZDUSSCGKSA-N	-1	0	348.403	0.662	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1	ZINC000739625279	579699061	/nfs/dbraw/zinc/69/90/61/579699061.db2.gz	OENIXGJZDSOMEU-TXTHVTMNSA-N	-1	0	346.299	0.481	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1	ZINC000739625276	579699099	/nfs/dbraw/zinc/69/90/99/579699099.db2.gz	OENIXGJZDSOMEU-OMDKTOEGSA-N	-1	0	346.299	0.481	20	10		ECCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)N1CCNC(=O)C1	ZINC000740674838	579758926	/nfs/dbraw/zinc/75/89/26/579758926.db2.gz	FDMNULUFRGUJPA-UHFFFAOYSA-N	-1	0	346.387	0.165	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)COCC(=O)[O-])cc2)CC1	ZINC000843331887	589061919	/nfs/dbraw/zinc/06/19/19/589061919.db2.gz	FWVNJUGRSFNOOL-UHFFFAOYSA-N	-1	0	349.387	0.073	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000888341696	586772321	/nfs/dbraw/zinc/77/23/21/586772321.db2.gz	ODBZIVKENKMRKN-UHFFFAOYSA-N	-1	0	331.380	0.273	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000888343799	586772334	/nfs/dbraw/zinc/77/23/34/586772334.db2.gz	XQGBRARLZRMBJN-UHFFFAOYSA-N	-1	0	349.370	0.412	20	10		ECCDRM
CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000826596305	588072770	/nfs/dbraw/zinc/07/27/70/588072770.db2.gz	NYDKEANERUTTKK-UHFFFAOYSA-N	-1	0	330.362	0.604	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)N2)NC(=O)[O-])cc1	ZINC000828055216	588155756	/nfs/dbraw/zinc/15/57/56/588155756.db2.gz	FZKPUAIVYOTHSF-STQMWFEESA-N	-1	0	334.376	0.456	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCNC1=O	ZINC000831706574	588443011	/nfs/dbraw/zinc/44/30/11/588443011.db2.gz	GWPUUUAVPFZTFT-LLVKDONJSA-N	-1	0	340.763	0.683	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NCc1cccc(Br)c1O	ZINC000927213346	611592321	/nfs/dbraw/zinc/59/23/21/611592321.db2.gz	BNPZAZSSRPPHSU-UHFFFAOYSA-N	-1	0	332.154	0.632	20	10		ECCDRM
O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COC[C@H]1O	ZINC000915669929	609919053	/nfs/dbraw/zinc/91/90/53/609919053.db2.gz	VGQAFOQEZYEWBP-NXEZZACHSA-N	-1	0	342.200	0.878	20	10		ECCDRM
O=C(CSc1n[nH]c(=O)[n-]1)NCc1ccc(N2CCOCC2)cc1	ZINC000274879695	436887189	/nfs/dbraw/zinc/88/71/89/436887189.db2.gz	HYHGJDWGQVIIQT-UHFFFAOYSA-N	-1	0	349.416	0.343	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)Cn3cnc(C(=O)[O-])n3)CC2)cc1	ZINC000738020423	579595170	/nfs/dbraw/zinc/59/51/70/579595170.db2.gz	DIDZIBHXJQYZLA-UHFFFAOYSA-N	-1	0	345.359	0.334	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCSCC(=O)[O-])c1	ZINC000738164268	579609224	/nfs/dbraw/zinc/60/92/24/579609224.db2.gz	QTJWYLWSZMAULR-UHFFFAOYSA-N	-1	0	348.402	0.311	20	10		ECCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)N1CCNC1=O	ZINC000740675143	579759084	/nfs/dbraw/zinc/75/90/84/579759084.db2.gz	JIWSFGDKWIQXFP-UHFFFAOYSA-N	-1	0	332.360	0.759	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(C(=O)[O-])CC2)cc1	ZINC000817109843	587333158	/nfs/dbraw/zinc/33/31/58/587333158.db2.gz	LSPOXAOJQTZKIM-UHFFFAOYSA-N	-1	0	333.388	0.692	20	10		ECCDRM
C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817115191	587333826	/nfs/dbraw/zinc/33/38/26/587333826.db2.gz	KXBDVRHJMAQDNO-RISCZKNCSA-N	-1	0	349.387	0.242	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)N2)NC(=O)[O-])cc1	ZINC000828055214	588155802	/nfs/dbraw/zinc/15/58/02/588155802.db2.gz	FZKPUAIVYOTHSF-QWHCGFSZSA-N	-1	0	334.376	0.456	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)c2ccc(=O)[nH]n2)NC(=O)[O-])cc1	ZINC000828064647	588156164	/nfs/dbraw/zinc/15/61/64/588156164.db2.gz	VKMFCRYFYIDGFJ-ZDUSSCGKSA-N	-1	0	345.359	0.987	20	10		ECCDRM
O=C([O-])c1cn(CC(=O)NCCCSc2nccs2)nn1	ZINC000833120867	588523061	/nfs/dbraw/zinc/52/30/61/588523061.db2.gz	RNZJEQZPJRLTQA-UHFFFAOYSA-N	-1	0	327.391	0.731	20	10		ECCDRM
CC(=O)N1CCN(C(=O)CN(C)c2ccc(OCC(=O)[O-])cc2)CC1	ZINC000833392608	588538213	/nfs/dbraw/zinc/53/82/13/588538213.db2.gz	CAPSYHGLYZAMJD-UHFFFAOYSA-N	-1	0	349.387	0.277	20	10		ECCDRM
COC1CCN(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)CC1	ZINC000849217985	589322904	/nfs/dbraw/zinc/32/29/04/589322904.db2.gz	LHOBUJXLWDJMJN-UHFFFAOYSA-N	-1	0	330.362	0.858	20	10		ECCDRM
CO[C@@](C)(C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852950623	589527799	/nfs/dbraw/zinc/52/77/99/589527799.db2.gz	RFDUNEKSFBYOKY-QGZVFWFLSA-N	-1	0	336.388	0.971	20	10		ECCDRM
COC1CCN(S(=O)(=O)[N-]N=c2[nH]c3ccncc3s2)CC1	ZINC000872385535	590115506	/nfs/dbraw/zinc/11/55/06/590115506.db2.gz	YHMSAOKBMNBCQV-UHFFFAOYSA-N	-1	0	343.434	0.963	20	10		ECCDRM
O=C([O-])/C=C\c1ccc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1	ZINC000387101343	599755707	/nfs/dbraw/zinc/75/57/07/599755707.db2.gz	XFOMGGBHESFHRI-RQOWECAXSA-N	-1	0	326.330	0.927	20	10		ECCDRM
O=S(=O)([N-]c1ccccc1-n1cnnn1)c1cccc2nonc21	ZINC000161945946	608894210	/nfs/dbraw/zinc/89/42/10/608894210.db2.gz	VARYDLPWPQKMOZ-UHFFFAOYSA-N	-1	0	343.328	0.999	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000914400556	609884321	/nfs/dbraw/zinc/88/43/21/609884321.db2.gz	ODUNZIMBSBACDH-GFCCVEGCSA-N	-1	0	336.392	0.561	20	10		ECCDRM
C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000780444542	578693684	/nfs/dbraw/zinc/69/36/84/578693684.db2.gz	CFIBIHSTWSWDQV-JTQLQIEISA-N	-1	0	325.340	0.935	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(NS(=O)(=O)NC2CC2)cc1C(=O)[O-]	ZINC000776508982	579282574	/nfs/dbraw/zinc/28/25/74/579282574.db2.gz	YUAKXASNCCIMHK-UHFFFAOYSA-N	-1	0	349.390	0.165	20	10		ECCDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740449851	579748297	/nfs/dbraw/zinc/74/82/97/579748297.db2.gz	AHJUNXQHIQKEIP-HUUCEWRRSA-N	-1	0	349.387	0.253	20	10		ECCDRM
O=C([O-])NCCNC(=O)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1	ZINC000740658214	579758166	/nfs/dbraw/zinc/75/81/66/579758166.db2.gz	ARCORNNNHPJNRS-VIFPVBQESA-N	-1	0	341.389	0.690	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C(=O)[O-]	ZINC000843056152	589048533	/nfs/dbraw/zinc/04/85/33/589048533.db2.gz	VKKNTUNNPQLZJL-AAEUAGOBSA-N	-1	0	334.372	0.920	20	10		ECCDRM
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000819697734	587486307	/nfs/dbraw/zinc/48/63/07/587486307.db2.gz	ZUQAJEXQYPYIBJ-UHFFFAOYSA-N	-1	0	348.315	0.194	20	10		ECCDRM
O=C(Nc1ccc(-c2ncon2)cc1)C1=S=C(c2nnn[n-]2)C=C1	ZINC000823303092	587714931	/nfs/dbraw/zinc/71/49/31/587714931.db2.gz	DCPAHVFEAARGPF-UHFFFAOYSA-N	-1	0	339.340	0.884	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)CCCc3nnn[n-]3)C2)cc1	ZINC000824374275	587871081	/nfs/dbraw/zinc/87/10/81/587871081.db2.gz	VUOORJAXTLEORP-GFCCVEGCSA-N	-1	0	330.392	0.926	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CCn2cncn2)NC(=O)[O-])cc1	ZINC000828063993	588156108	/nfs/dbraw/zinc/15/61/08/588156108.db2.gz	KWLKJZKHYDSJKK-CQSZACIVSA-N	-1	0	346.391	0.859	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CN2CCCC2=O)NC(=O)[O-])cc1	ZINC000828064309	588156205	/nfs/dbraw/zinc/15/62/05/588156205.db2.gz	ODJAKQNBCOIHPM-CQSZACIVSA-N	-1	0	348.403	0.800	20	10		ECCDRM
CN(C)c1ccc(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000830639361	588379783	/nfs/dbraw/zinc/37/97/83/588379783.db2.gz	GISGIBBEYZTPEE-UHFFFAOYSA-N	-1	0	338.389	0.512	20	10		ECCDRM
O=C([O-])N(CC(=O)NCCc1ccc(O)c(O)c1)C[C@@H]1CCCO1	ZINC000834007701	588586473	/nfs/dbraw/zinc/58/64/73/588586473.db2.gz	WJKVDNFHUOFDGV-LBPRGKRZSA-N	-1	0	338.360	0.916	20	10		ECCDRM
C[C@@]1(C(F)F)CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CCO1	ZINC000853084758	589531700	/nfs/dbraw/zinc/53/17/00/589531700.db2.gz	MSRFAEDEQXDKJW-AWEZNQCLSA-N	-1	0	342.302	0.989	20	10		ECCDRM
Cc1nnc(NNC(=S)Nc2ccc3c(c2)OCCO3)[n-]c1=O	ZINC000011046426	591192832	/nfs/dbraw/zinc/19/28/32/591192832.db2.gz	NRJJHKBDDVOBKV-UHFFFAOYSA-N	-1	0	334.361	0.970	20	10		ECCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000842571129	611315651	/nfs/dbraw/zinc/31/56/51/611315651.db2.gz	RPVGRERQHUEOQY-LLVKDONJSA-N	-1	0	340.401	0.258	20	10		ECCDRM
NC(=O)N=Nc1ccc(C(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1	ZINC001031464669	771122809	/nfs/dbraw/zinc/12/28/09/771122809.db2.gz	WWSJBLDZVBEKSC-UHFFFAOYSA-N	-1	0	344.335	0.287	20	10		ECCDRM
CNC(=O)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000182472872	437350030	/nfs/dbraw/zinc/35/00/30/437350030.db2.gz	YUNKQLSQKULYTA-LLVKDONJSA-N	-1	0	329.740	0.901	20	10		ECCDRM
O=C([O-])NCC(=O)NCC(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000834196251	588888747	/nfs/dbraw/zinc/88/87/47/588888747.db2.gz	KEQCBCLNMSLNCX-UHFFFAOYSA-N	-1	0	348.403	0.677	20	10		ECCDRM
O=C(NCc1cc(Br)ccc1O)c1n[nH]c(=O)[n-]c1=O	ZINC000804737118	586063157	/nfs/dbraw/zinc/06/31/57/586063157.db2.gz	INDSNCYZMYFHRI-UHFFFAOYSA-N	-1	0	341.121	0.681	20	10		ECCDRM
CN1C(=O)CC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1=O	ZINC000895459366	586183656	/nfs/dbraw/zinc/18/36/56/586183656.db2.gz	RRIDBMADIKHCLE-JTQLQIEISA-N	-1	0	325.752	0.992	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@@H](O)C2CC2)cc1	ZINC000899856444	586509509	/nfs/dbraw/zinc/50/95/09/586509509.db2.gz	QOIMUOLENFKAHC-OAHLLOKOSA-N	-1	0	336.388	0.863	20	10		ECCDRM
O=C([O-])COCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1	ZINC000843328707	589061780	/nfs/dbraw/zinc/06/17/80/589061780.db2.gz	SJXKKBJZFSCHGO-UHFFFAOYSA-N	-1	0	336.388	0.613	20	10		ECCDRM
COCCO[N-]C(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	ZINC000817859366	587389652	/nfs/dbraw/zinc/38/96/52/587389652.db2.gz	BLASTNJWPMVYKP-ZDUSSCGKSA-N	-1	0	337.420	0.802	20	10		ECCDRM
C[C@@H](NC(N)=O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825473088	587945243	/nfs/dbraw/zinc/94/52/43/587945243.db2.gz	NLZLFTWASQCWMO-SKDRFNHKSA-N	-1	0	337.380	0.234	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)NC(=O)[O-])cc1	ZINC000828451211	588180006	/nfs/dbraw/zinc/18/00/06/588180006.db2.gz	CURMKPPWVNJATJ-OCCSQVGLSA-N	-1	0	348.403	0.656	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[O-])ccc21	ZINC000828487167	588183540	/nfs/dbraw/zinc/18/35/40/588183540.db2.gz	IACKTLGECHUJCN-ZFWWWQNUSA-N	-1	0	333.388	0.798	20	10		ECCDRM
Cc1c(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)nnn1C	ZINC000829849373	588344938	/nfs/dbraw/zinc/34/49/38/588344938.db2.gz	CHTPROBLGCVVOX-ZDUSSCGKSA-N	-1	0	346.391	0.928	20	10		ECCDRM
CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(=O)[O-])CC2)c1O	ZINC000844242954	589104707	/nfs/dbraw/zinc/10/47/07/589104707.db2.gz	VXCWIMVYGKLVSL-UHFFFAOYSA-N	-1	0	340.763	0.977	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COCC(=O)[O-]	ZINC000844254633	589105497	/nfs/dbraw/zinc/10/54/97/589105497.db2.gz	ZNPSZECRTGCHKK-UHFFFAOYSA-N	-1	0	345.735	0.648	20	10		ECCDRM
CCO[N-]C(=O)CNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000845551428	589158909	/nfs/dbraw/zinc/15/89/09/589158909.db2.gz	YXQWJTDYFFOCAB-UHFFFAOYSA-N	-1	0	336.392	0.390	20	10		ECCDRM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cnnn2C)ccc1O	ZINC000863410791	590012005	/nfs/dbraw/zinc/01/20/05/590012005.db2.gz	LEEIDASGKNNSBF-UHFFFAOYSA-N	-1	0	326.334	0.498	20	10		ECCDRM
Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C(N)=O)no2)c(O)c1O	ZINC000373590084	438161391	/nfs/dbraw/zinc/16/13/91/438161391.db2.gz	AQGDYVXSPHJEPV-VIFPVBQESA-N	-1	0	332.316	0.865	20	10		ECCDRM
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(=O)[nH][n-]1	ZINC000732274853	578322207	/nfs/dbraw/zinc/32/22/07/578322207.db2.gz	UMWVBSZHLYBYDZ-UHFFFAOYSA-N	-1	0	334.351	0.279	20	10		ECCDRM
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN2C1=O	ZINC000775736496	579270679	/nfs/dbraw/zinc/27/06/79/579270679.db2.gz	HAHFGGTVSSVMNJ-SNVBAGLBSA-N	-1	0	327.743	0.327	20	10		ECCDRM
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000739623784	579698792	/nfs/dbraw/zinc/69/87/92/579698792.db2.gz	KIMVKNGYLQMFED-UHFFFAOYSA-N	-1	0	325.340	0.888	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)COCCNC(=O)[O-])CC2)cc1	ZINC000739910043	579721531	/nfs/dbraw/zinc/72/15/31/579721531.db2.gz	NKDFSSNFSBNMHC-UHFFFAOYSA-N	-1	0	337.376	0.628	20	10		ECCDRM
NC(=O)c1cn(C2CN(Cc3c([O-])ccc(Cl)c3F)C2)nn1	ZINC000839142523	586839672	/nfs/dbraw/zinc/83/96/72/586839672.db2.gz	HRDGLHOWHPSSPC-UHFFFAOYSA-N	-1	0	325.731	0.932	20	10		ECCDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000807289541	587124576	/nfs/dbraw/zinc/12/45/76/587124576.db2.gz	YSGPBNNHLNYLLN-UHFFFAOYSA-N	-1	0	333.388	0.763	20	10		ECCDRM
CNS(=O)(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813685937	587259494	/nfs/dbraw/zinc/25/94/94/587259494.db2.gz	VZXLQNJAYWANGH-UHFFFAOYSA-N	-1	0	342.204	0.369	20	10		ECCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000849364175	589327075	/nfs/dbraw/zinc/32/70/75/589327075.db2.gz	FBLUPNININEXGM-INIZCTEOSA-N	-1	0	340.351	0.768	20	10		ECCDRM
COc1ccc(N2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC000852726801	589508015	/nfs/dbraw/zinc/50/80/15/589508015.db2.gz	ZBUFUVCMNBOLQG-OAHLLOKOSA-N	-1	0	333.388	0.503	20	10		ECCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000854473495	589588618	/nfs/dbraw/zinc/58/86/18/589588618.db2.gz	AHQKGGCCVPXYCH-NQBHXWOUSA-N	-1	0	348.182	0.728	20	10		ECCDRM
CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876553195	590386578	/nfs/dbraw/zinc/38/65/78/590386578.db2.gz	LJTKQTFLFOVQEC-UHFFFAOYSA-N	-1	0	341.358	0.839	20	10		ECCDRM
CS(=O)(=O)NC[C@@H]1COCCN1Cc1cccc(Cl)c1[O-]	ZINC000877673905	590477256	/nfs/dbraw/zinc/47/72/56/590477256.db2.gz	JWCGWJBLSZPDKT-LLVKDONJSA-N	-1	0	334.825	0.796	20	10		ECCDRM
O=C1NCCn2c(CNCc3c([O-])ccc(Cl)c3F)nnc21	ZINC000883294494	590611305	/nfs/dbraw/zinc/61/13/05/590611305.db2.gz	AELSPABHRBYQGP-UHFFFAOYSA-N	-1	0	325.731	0.809	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NCc1cc(Br)ccc1O	ZINC000927216465	611592916	/nfs/dbraw/zinc/59/29/16/611592916.db2.gz	XLTYLVZZGBXQFU-UHFFFAOYSA-N	-1	0	332.154	0.632	20	10		ECCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1COCCO1	ZINC000911360190	609856409	/nfs/dbraw/zinc/85/64/09/609856409.db2.gz	OEQOBOSWGHLNNJ-GFCCVEGCSA-N	-1	0	329.736	0.874	20	10		ECCDRM
CC(=O)N1CSC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487429	609882344	/nfs/dbraw/zinc/88/23/44/609882344.db2.gz	UABWMRNJJBEXTR-LBPRGKRZSA-N	-1	0	338.385	0.727	20	10		ECCDRM
O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000372914283	254746204	/nfs/dbraw/zinc/74/62/04/254746204.db2.gz	PDYWUFJQLGVPFA-GIZXNFQBSA-N	-1	0	346.383	0.848	20	10		ECCDRM
COCCN1C(=O)C(=CNCC2CCCCC2)C(=O)NC1=S	ZINC000299252286	437061059	/nfs/dbraw/zinc/06/10/59/437061059.db2.gz	DBRMYOSSZSEKOB-BENRWUELSA-N	-1	0	325.434	0.930	20	10		ECCDRM
COCCn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cn1	ZINC000266277519	437224076	/nfs/dbraw/zinc/22/40/76/437224076.db2.gz	IIUBHYZUIDDDRJ-RUDMXATFSA-N	-1	0	327.387	0.815	20	10		ECCDRM
Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(N)=O)no2)c(O)c1O	ZINC000373590083	438161638	/nfs/dbraw/zinc/16/16/38/438161638.db2.gz	AQGDYVXSPHJEPV-SECBINFHSA-N	-1	0	332.316	0.865	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1F	ZINC000797715784	578634954	/nfs/dbraw/zinc/63/49/54/578634954.db2.gz	UIJUWVILYFNFPS-HNNXBMFYSA-N	-1	0	325.340	0.935	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)CC1	ZINC000788003261	578825227	/nfs/dbraw/zinc/82/52/27/578825227.db2.gz	IMIFSPKXSITKGX-UHFFFAOYSA-N	-1	0	344.375	0.109	20	10		ECCDRM
O=C(NCc1cccc(Br)c1O)c1n[nH]c(=O)[n-]c1=O	ZINC000765727829	579073002	/nfs/dbraw/zinc/07/30/02/579073002.db2.gz	PNBAZAMIGZOEDN-UHFFFAOYSA-N	-1	0	341.121	0.681	20	10		ECCDRM
O=C([O-])CCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000738581980	579639711	/nfs/dbraw/zinc/63/97/11/579639711.db2.gz	ANJFPGSCSWCELR-UHFFFAOYSA-N	-1	0	342.417	0.807	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)[O-])cc1F	ZINC000739616413	579698135	/nfs/dbraw/zinc/69/81/35/579698135.db2.gz	BUYHNUJRTDPOMH-CYBMUJFWSA-N	-1	0	325.340	0.887	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3COCCN3C(=O)[O-])CC2)cc1	ZINC000739911034	579721688	/nfs/dbraw/zinc/72/16/88/579721688.db2.gz	VNAPGCBECQGKMC-HNNXBMFYSA-N	-1	0	349.387	0.723	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)CCC(=O)[O-])cc2)CC1	ZINC000842691208	589032766	/nfs/dbraw/zinc/03/27/66/589032766.db2.gz	OHQSIRPRVDBGON-UHFFFAOYSA-N	-1	0	333.388	0.836	20	10		ECCDRM
NC(=O)CN1CCN(Cc2cccc(Br)c2[O-])CC1=O	ZINC000839170974	586840342	/nfs/dbraw/zinc/84/03/42/586840342.db2.gz	WOWXMESQVSQMLP-UHFFFAOYSA-N	-1	0	342.193	0.284	20	10		ECCDRM
O=C([O-])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000817109436	587333200	/nfs/dbraw/zinc/33/32/00/587333200.db2.gz	VOBYWAUBYPIZBR-CQSZACIVSA-N	-1	0	345.399	0.836	20	10		ECCDRM
C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817115189	587333793	/nfs/dbraw/zinc/33/37/93/587333793.db2.gz	KXBDVRHJMAQDNO-BXUZGUMPSA-N	-1	0	349.387	0.242	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1	ZINC000820894603	587562198	/nfs/dbraw/zinc/56/21/98/587562198.db2.gz	YXEWTHODOWQNAZ-LLVKDONJSA-N	-1	0	342.373	0.843	20	10		ECCDRM
CCCN(Cc1ccccc1O)C(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000821109560	587573796	/nfs/dbraw/zinc/57/37/96/587573796.db2.gz	MDLVBEYRVHXCFS-UHFFFAOYSA-N	-1	0	342.363	0.603	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCOC[C@@H]2C(=O)[O-])cc1	ZINC000823659634	587737002	/nfs/dbraw/zinc/73/70/02/587737002.db2.gz	JWAQLQIWEMNYQD-OAHLLOKOSA-N	-1	0	335.404	0.496	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CS(C)(=O)=O)NC(=O)[O-])cc1	ZINC000828064321	588156071	/nfs/dbraw/zinc/15/60/71/588156071.db2.gz	OIVURBGSDXYBQB-LBPRGKRZSA-N	-1	0	343.405	0.222	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1F	ZINC000828067130	588156510	/nfs/dbraw/zinc/15/65/10/588156510.db2.gz	FVOLNQZQRVBWLP-ZDUSSCGKSA-N	-1	0	325.340	0.887	20	10		ECCDRM
Cc1c(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)nnn1C	ZINC000829849372	588344917	/nfs/dbraw/zinc/34/49/17/588344917.db2.gz	CHTPROBLGCVVOX-CYBMUJFWSA-N	-1	0	346.391	0.928	20	10		ECCDRM
O=C([O-])c1cn(CC(=O)NCc2ccc(N3CCOCC3)cc2)nn1	ZINC000833121275	588523397	/nfs/dbraw/zinc/52/33/97/588523397.db2.gz	ZOJZHTNQDZIZIM-UHFFFAOYSA-N	-1	0	345.359	0.129	20	10		ECCDRM
COc1cc(O)c(CN2CC(n3cc(C(=O)[O-])nn3)C2)cc1OC	ZINC000833729240	588563366	/nfs/dbraw/zinc/56/33/66/588563366.db2.gz	GTSKWHMBIPTRFR-UHFFFAOYSA-N	-1	0	334.332	0.756	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)cc1	ZINC000851680964	589412908	/nfs/dbraw/zinc/41/29/08/589412908.db2.gz	LUZIQKMAYJFYIN-GFCCVEGCSA-N	-1	0	349.387	0.371	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccn(C)n2)cc1	ZINC000853007566	589529115	/nfs/dbraw/zinc/52/91/15/589529115.db2.gz	WSCJCIHFUWODIQ-UHFFFAOYSA-N	-1	0	332.360	0.636	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)c3cnc([O-])n(C)c3=O)C2)cc1	ZINC000855231471	589623595	/nfs/dbraw/zinc/62/35/95/589623595.db2.gz	AKYHUBMYXGVKGY-LLVKDONJSA-N	-1	0	344.371	0.503	20	10		ECCDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868343379	589893844	/nfs/dbraw/zinc/89/38/44/589893844.db2.gz	ONDUDXYJZJBGMS-PWSUYJOCSA-N	-1	0	332.356	0.804	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H]2CCOC2)nn1	ZINC000865216999	590134264	/nfs/dbraw/zinc/13/42/64/590134264.db2.gz	HFARMXWGYJRUQV-AZZDOICSSA-N	-1	0	339.355	0.776	20	10		ECCDRM
Cn1cc(/C=C/C(=O)N(CC(=O)[O-])c2ccccc2)c(=O)n(C)c1=O	ZINC000492208745	439506658	/nfs/dbraw/zinc/50/66/58/439506658.db2.gz	ORAOZCLGABNUSP-CMDGGOBGSA-N	-1	0	343.339	0.215	20	10		ECCDRM
CN(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000739697164	579704657	/nfs/dbraw/zinc/70/46/57/579704657.db2.gz	HQMUXKGSRFMZER-UHFFFAOYSA-N	-1	0	331.350	0.103	20	10		ECCDRM
O=S1(=O)CC[C@@H](N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)C1	ZINC000893910652	586366157	/nfs/dbraw/zinc/36/61/57/586366157.db2.gz	HMJIZZGFZJJOOW-CYBMUJFWSA-N	-1	0	346.399	0.975	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)C[C@H](C)OC)ccc1[O-]	ZINC000800842253	586974526	/nfs/dbraw/zinc/97/45/26/586974526.db2.gz	SHASBBXKLWJXNQ-QMMMGPOBSA-N	-1	0	338.407	0.077	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000817888113	587390833	/nfs/dbraw/zinc/39/08/33/587390833.db2.gz	ATOPFPHTNQBULX-AWEZNQCLSA-N	-1	0	349.387	0.023	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000822205888	587647814	/nfs/dbraw/zinc/64/78/14/587647814.db2.gz	MJDZXTBXGALLGR-UHFFFAOYSA-N	-1	0	341.379	0.149	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1F	ZINC000828067129	588156450	/nfs/dbraw/zinc/15/64/50/588156450.db2.gz	FVOLNQZQRVBWLP-CYBMUJFWSA-N	-1	0	325.340	0.887	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)COC1CN(C(=O)[O-])C1	ZINC000828073352	588156471	/nfs/dbraw/zinc/15/64/71/588156471.db2.gz	JEJTWRVZEHYRBQ-UHFFFAOYSA-N	-1	0	335.360	0.857	20	10		ECCDRM
COC(=O)NCC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828713108	588201076	/nfs/dbraw/zinc/20/10/76/588201076.db2.gz	DJMMHFXUGQORQC-GFCCVEGCSA-N	-1	0	338.364	0.534	20	10		ECCDRM
CCS(=O)(=O)NCCCN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846280475	589195188	/nfs/dbraw/zinc/19/51/88/589195188.db2.gz	XPFHTFNIHIAYCV-UHFFFAOYSA-N	-1	0	330.406	0.916	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NCC2(C(=O)[O-])CCC2)cc1	ZINC000851682070	589412901	/nfs/dbraw/zinc/41/29/01/589412901.db2.gz	UAWDIBMKZLGADY-UHFFFAOYSA-N	-1	0	333.388	0.740	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000855231519	589623414	/nfs/dbraw/zinc/62/34/14/589623414.db2.gz	BIRPSWPVQKNDDK-SECBINFHSA-N	-1	0	331.332	0.300	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H]2CCOC2)nn1	ZINC000865216997	590134062	/nfs/dbraw/zinc/13/40/62/590134062.db2.gz	HFARMXWGYJRUQV-AAWHYMEISA-N	-1	0	339.355	0.776	20	10		ECCDRM
CNC(=O)CN(CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000877838400	590483852	/nfs/dbraw/zinc/48/38/52/590483852.db2.gz	ZQGKGVUBZGBQLE-UHFFFAOYSA-N	-1	0	334.203	0.993	20	10		ECCDRM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)N1C	ZINC000294026171	436928271	/nfs/dbraw/zinc/92/82/71/436928271.db2.gz	RCBIVEHWFUHHJN-PHIMTYICSA-N	-1	0	341.433	0.928	20	10		ECCDRM
COc1cc(N(C)CC(=O)NCCC(=O)[O-])cc(OC)c1OC	ZINC000737890762	578536791	/nfs/dbraw/zinc/53/67/91/578536791.db2.gz	BXQCFMFPCSTNKQ-UHFFFAOYSA-N	-1	0	326.349	0.740	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)cc1	ZINC000797431156	578633898	/nfs/dbraw/zinc/63/38/98/578633898.db2.gz	IPDKIJRIUPMPNL-UHFFFAOYSA-N	-1	0	331.375	0.957	20	10		ECCDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000788929494	578845688	/nfs/dbraw/zinc/84/56/88/578845688.db2.gz	KFDOMAKYGLVWMH-UHFFFAOYSA-N	-1	0	335.404	0.987	20	10		ECCDRM
CCn1cc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cn1	ZINC000737917245	579584737	/nfs/dbraw/zinc/58/47/37/579584737.db2.gz	OCSGEHGPKSZRGX-UHFFFAOYSA-N	-1	0	330.348	0.982	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])cc1F	ZINC000739618954	579698406	/nfs/dbraw/zinc/69/84/06/579698406.db2.gz	QWLORKVSYZLLSE-ZWNOBZJWSA-N	-1	0	325.340	0.621	20	10		ECCDRM
C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113207	587333581	/nfs/dbraw/zinc/33/35/81/587333581.db2.gz	ACASPMMCNCDOKG-WCQYABFASA-N	-1	0	333.388	0.863	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000818648559	587442551	/nfs/dbraw/zinc/44/25/51/587442551.db2.gz	YQPILWMBEYANDA-MRVPVSSYSA-N	-1	0	328.346	0.310	20	10		ECCDRM
CC(=O)N(C)CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823539110	587727938	/nfs/dbraw/zinc/72/79/38/587727938.db2.gz	VRXAVKZWWQFYGZ-AWEZNQCLSA-N	-1	0	336.392	0.656	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055043	588155640	/nfs/dbraw/zinc/15/56/40/588155640.db2.gz	BWROZUCIBVKPLB-AAEUAGOBSA-N	-1	0	334.376	0.314	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CCc2nnc[nH]2)NC(=O)[O-])cc1	ZINC000828064569	588156140	/nfs/dbraw/zinc/15/61/40/588156140.db2.gz	SZEZYLMYXPGOFE-CYBMUJFWSA-N	-1	0	346.391	0.928	20	10		ECCDRM
COc1cccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1O	ZINC000859005989	589792144	/nfs/dbraw/zinc/79/21/44/589792144.db2.gz	DXDZZGBJFLJVLS-UHFFFAOYSA-N	-1	0	342.333	0.521	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)CC(=O)NC2CC2)cc1	ZINC000872888932	590172376	/nfs/dbraw/zinc/17/23/76/590172376.db2.gz	UFSUILOZIOTRMP-UHFFFAOYSA-N	-1	0	349.387	0.323	20	10		ECCDRM
O=C([O-])CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C2CC2)C1	ZINC000911484326	609882119	/nfs/dbraw/zinc/88/21/19/609882119.db2.gz	MJWYRZHGOFXSRD-GFCCVEGCSA-N	-1	0	332.356	0.816	20	10		ECCDRM
O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1	ZINC000372914284	254746014	/nfs/dbraw/zinc/74/60/14/254746014.db2.gz	PDYWUFJQLGVPFA-WUTVXBCWSA-N	-1	0	346.383	0.848	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)[O-])cc1F	ZINC000739616414	579698100	/nfs/dbraw/zinc/69/81/00/579698100.db2.gz	BUYHNUJRTDPOMH-ZDUSSCGKSA-N	-1	0	325.340	0.887	20	10		ECCDRM
Cn1ncnc1C1(O)CN(Cc2cccc(Br)c2[O-])C1	ZINC000895620370	586193130	/nfs/dbraw/zinc/19/31/30/586193130.db2.gz	FHLDXPFXYTUKKH-UHFFFAOYSA-N	-1	0	339.193	0.987	20	10		ECCDRM
NC(=O)[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000893988168	586369531	/nfs/dbraw/zinc/36/95/31/586369531.db2.gz	ZSRPCOOBZZCZFG-JTQLQIEISA-N	-1	0	333.157	0.980	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000888339961	586771938	/nfs/dbraw/zinc/77/19/38/586771938.db2.gz	VOCDEAUSGPDGSV-UHFFFAOYSA-N	-1	0	345.407	0.868	20	10		ECCDRM
CC(C)n1[nH]cnc1=NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000839927840	586980823	/nfs/dbraw/zinc/98/08/23/586980823.db2.gz	SVEYMDGGEFCOPI-UHFFFAOYSA-N	-1	0	339.377	0.610	20	10		ECCDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1	ZINC000817110794	587333222	/nfs/dbraw/zinc/33/32/22/587333222.db2.gz	NDSVSCCGHZFNKV-VIFPVBQESA-N	-1	0	343.430	0.675	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)NC(=O)[O-])cc1	ZINC000828056251	588155617	/nfs/dbraw/zinc/15/56/17/588155617.db2.gz	OWDDYSIVHYFBII-CYBMUJFWSA-N	-1	0	334.376	0.456	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H](O)CN3C(=O)[O-])ccc21	ZINC000828487166	588183527	/nfs/dbraw/zinc/18/35/27/588183527.db2.gz	IACKTLGECHUJCN-UKRRQHHQSA-N	-1	0	333.388	0.798	20	10		ECCDRM
CCS(=O)(=O)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833664852	588557598	/nfs/dbraw/zinc/55/75/98/588557598.db2.gz	CXZVJHHBOARBGB-UHFFFAOYSA-N	-1	0	349.792	0.894	20	10		ECCDRM
NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000833982826	588583857	/nfs/dbraw/zinc/58/38/57/588583857.db2.gz	NVMZFOOIGKXPNK-ZDUSSCGKSA-N	-1	0	334.376	0.415	20	10		ECCDRM
O=C([O-])N1CCC[C@H](OCC(=O)NCCc2ccc(O)c(O)c2)C1	ZINC000834011616	588587025	/nfs/dbraw/zinc/58/70/25/588587025.db2.gz	YYEBJTGJAJFXDJ-LBPRGKRZSA-N	-1	0	338.360	0.916	20	10		ECCDRM
O=C([O-])N1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000834047758	588590674	/nfs/dbraw/zinc/59/06/74/588590674.db2.gz	FERWKKYZMABZPQ-UHFFFAOYSA-N	-1	0	337.351	0.888	20	10		ECCDRM
CCn1cc(CNC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)nn1	ZINC000853011037	589529199	/nfs/dbraw/zinc/52/91/99/589529199.db2.gz	RHZSUTRRVDRSTF-UHFFFAOYSA-N	-1	0	347.375	0.514	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C(=O)[O-]	ZINC000868342392	589893675	/nfs/dbraw/zinc/89/36/75/589893675.db2.gz	IBVSPPJQUVYQBW-ZYHUDNBSSA-N	-1	0	332.356	0.804	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(C[C@@H]2CCOC2)nn1	ZINC000865217001	590134178	/nfs/dbraw/zinc/13/41/78/590134178.db2.gz	HFARMXWGYJRUQV-IYVNWDGISA-N	-1	0	339.355	0.776	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H]2CCCO2)nn1	ZINC000865219421	590134206	/nfs/dbraw/zinc/13/42/06/590134206.db2.gz	XLYWTMUZRRPOIC-UWZYDCLUSA-N	-1	0	339.355	0.919	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCS(=O)CC2)cc1	ZINC000872926831	590174630	/nfs/dbraw/zinc/17/46/30/590174630.db2.gz	LNECYYUOIUMFLD-UHFFFAOYSA-N	-1	0	340.401	0.177	20	10		ECCDRM
CNC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1	ZINC000182472853	437351411	/nfs/dbraw/zinc/35/14/11/437351411.db2.gz	YUNKQLSQKULYTA-NSHDSACASA-N	-1	0	329.740	0.901	20	10		ECCDRM
O=C(CO)Nc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765084489	579061338	/nfs/dbraw/zinc/06/13/38/579061338.db2.gz	VPPXUGWSBCXIRR-UHFFFAOYSA-N	-1	0	348.340	0.954	20	10		ECCDRM
O=C(NCc1ccc(N2CCOCC2)cc1)c1n[nH]c(=O)[n-]c1=O	ZINC000765474327	579067279	/nfs/dbraw/zinc/06/72/79/579067279.db2.gz	NOEVFBDWZRRTSY-UHFFFAOYSA-N	-1	0	331.332	0.049	20	10		ECCDRM
CN(CCCNC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000739674914	579702193	/nfs/dbraw/zinc/70/21/93/579702193.db2.gz	MULSNUIETFVIOX-UHFFFAOYSA-N	-1	0	345.377	0.493	20	10		ECCDRM
CC(=O)N[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(N)=O	ZINC000813685482	587259501	/nfs/dbraw/zinc/25/95/01/587259501.db2.gz	IGSNPFAQRZHXHI-JTQLQIEISA-N	-1	0	348.186	0.695	20	10		ECCDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000817107676	587332911	/nfs/dbraw/zinc/33/29/11/587332911.db2.gz	DZMXQHKAPMOPPE-UHFFFAOYSA-N	-1	0	333.388	0.836	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)CCCc3nnn[n-]3)C2)cc1	ZINC000824374276	587870944	/nfs/dbraw/zinc/87/09/44/587870944.db2.gz	VUOORJAXTLEORP-LBPRGKRZSA-N	-1	0	330.392	0.926	20	10		ECCDRM
COC[C@](C)(O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828895908	588208102	/nfs/dbraw/zinc/20/81/02/588208102.db2.gz	DLOSKAXNQQDNRM-BBRMVZONSA-N	-1	0	339.392	0.575	20	10		ECCDRM
COc1ccc(N2CCN([C@@H](C)C(=O)NCC(=O)[O-])CC2)cc1F	ZINC000832383400	588480870	/nfs/dbraw/zinc/48/08/70/588480870.db2.gz	GSSAMBIYUMKJNQ-NSHDSACASA-N	-1	0	339.367	0.546	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1	ZINC000832699577	588497760	/nfs/dbraw/zinc/49/77/60/588497760.db2.gz	LIMGYICUFSEUOY-NSHDSACASA-N	-1	0	342.373	0.747	20	10		ECCDRM
CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)NCc2ccccc2O)n1	ZINC000850783655	589383622	/nfs/dbraw/zinc/38/36/22/589383622.db2.gz	KIYWCITVGWSZAV-UHFFFAOYSA-N	-1	0	346.343	0.663	20	10		ECCDRM
O=C([O-])C1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000857097840	589686119	/nfs/dbraw/zinc/68/61/19/589686119.db2.gz	WBLYCAZAIXALDX-UHFFFAOYSA-N	-1	0	337.351	0.888	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-]	ZINC000861712685	589877817	/nfs/dbraw/zinc/87/78/17/589877817.db2.gz	RQYHDLNEOBLDOQ-IUODEOHRSA-N	-1	0	347.415	0.938	20	10		ECCDRM
COCc1cc(O)ccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000863410367	590011959	/nfs/dbraw/zinc/01/19/59/590011959.db2.gz	BSBWZMQPLINMMV-UHFFFAOYSA-N	-1	0	342.333	0.981	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C(=O)[O-]	ZINC000863749148	590033728	/nfs/dbraw/zinc/03/37/28/590033728.db2.gz	WYUVNIGNBXYVHG-YPMHNXCESA-N	-1	0	334.372	0.920	20	10		ECCDRM
O=C1NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN2C1=O	ZINC000091866430	436463343	/nfs/dbraw/zinc/46/33/43/436463343.db2.gz	QNKJBYRXYYMUOD-JTQLQIEISA-N	-1	0	344.198	0.842	20	10		ECCDRM
Cn1nc2n(c1=O)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2	ZINC000091965683	436464524	/nfs/dbraw/zinc/46/45/24/436464524.db2.gz	SEUWRDDJXNCTRH-UHFFFAOYSA-N	-1	0	339.739	0.865	20	10		ECCDRM
NC(=O)c1n[nH]nc1NC(=O)C=Cc1ccc(N2CCOCC2)cc1	ZINC000297778611	437018379	/nfs/dbraw/zinc/01/83/79/437018379.db2.gz	NJJHTLXENMMUFI-ZZXKWVIFSA-N	-1	0	342.359	0.392	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1	ZINC000797431751	578633891	/nfs/dbraw/zinc/63/38/91/578633891.db2.gz	XNRUXFIGTXUXOM-UHFFFAOYSA-N	-1	0	345.406	0.395	20	10		ECCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)n1-c1ccccn1	ZINC000766928537	579097656	/nfs/dbraw/zinc/09/76/56/579097656.db2.gz	GQOCAFXBWCLFLD-UHFFFAOYSA-N	-1	0	336.373	0.034	20	10		ECCDRM
COC(=O)CN(CCN1CCOCC1)Cc1cc(F)cc(F)c1[O-]	ZINC000894018239	586370644	/nfs/dbraw/zinc/37/06/44/586370644.db2.gz	YAXGRPGWBHYKLB-UHFFFAOYSA-N	-1	0	344.358	0.978	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)C(=O)[N-]OC3CCOCC3)ccc21	ZINC000803687259	587067078	/nfs/dbraw/zinc/06/70/78/587067078.db2.gz	YZCDIMAYGARXTB-UHFFFAOYSA-N	-1	0	347.415	0.912	20	10		ECCDRM
C[C@@H](CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000817890715	587390914	/nfs/dbraw/zinc/39/09/14/587390914.db2.gz	XYVAMLAZPIQDFF-LBPRGKRZSA-N	-1	0	335.404	0.890	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(=O)[O-])CC2)cc1	ZINC000820841098	587559516	/nfs/dbraw/zinc/55/95/16/587559516.db2.gz	IAJLLSMHWYWXGM-SREVYHEPSA-N	-1	0	347.371	0.101	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000820894126	587562208	/nfs/dbraw/zinc/56/22/08/587562208.db2.gz	BLDNSPXMOBMYPR-SNVBAGLBSA-N	-1	0	328.346	0.453	20	10		ECCDRM
CNC(=O)C1(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1	ZINC000828526395	588187619	/nfs/dbraw/zinc/18/76/19/588187619.db2.gz	NLQQXMJYXJNYBP-ZDUSSCGKSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CC(=O)N[C@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833395600	588538786	/nfs/dbraw/zinc/53/87/86/588538786.db2.gz	PXFTYTUKWGYKDT-MRVPVSSYSA-N	-1	0	328.752	0.983	20	10		ECCDRM
C[C@](O)(CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-]	ZINC000844932242	589125793	/nfs/dbraw/zinc/12/57/93/589125793.db2.gz	DXDUBVSCVKHHSE-HNNXBMFYSA-N	-1	0	335.385	0.882	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1	ZINC000851648349	589409866	/nfs/dbraw/zinc/40/98/66/589409866.db2.gz	DAAJQHLHNVBLDY-CXAGYDPISA-N	-1	0	333.388	0.995	20	10		ECCDRM
COc1cc(N(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000852726349	589507321	/nfs/dbraw/zinc/50/73/21/589507321.db2.gz	KTNJOKQEDJJXEZ-LLVKDONJSA-N	-1	0	338.360	0.834	20	10		ECCDRM
COc1ccc(N2CCN(CC(=O)NCC(=O)[O-])CC2)c(OC)c1	ZINC000873644443	590193909	/nfs/dbraw/zinc/19/39/09/590193909.db2.gz	ORAKGIHZCKGIJQ-UHFFFAOYSA-N	-1	0	337.376	0.027	20	10		ECCDRM
O=C(CCCc1nnn[n-]1)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000874092787	590220008	/nfs/dbraw/zinc/22/00/08/590220008.db2.gz	CGZBZMCMRIQAML-UHFFFAOYSA-N	-1	0	348.382	0.815	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000922951577	611186154	/nfs/dbraw/zinc/18/61/54/611186154.db2.gz	YKWPHDHYRZLUIB-LBPRGKRZSA-N	-1	0	336.392	0.498	20	10		ECCDRM
Cc1cc(CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])ccc1N(C)C	ZINC000923248975	611219909	/nfs/dbraw/zinc/21/99/09/611219909.db2.gz	ISTPOBMYQAUTMF-AWEZNQCLSA-N	-1	0	326.418	0.745	20	10		ECCDRM
COCCN1C(=O)C(=CNCCCc2ccccc2)C(=O)NC1=S	ZINC000299269925	437063961	/nfs/dbraw/zinc/06/39/61/437063961.db2.gz	RYELWQXOAJFDJP-OWBHPGMISA-N	-1	0	347.440	0.982	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1C[C@@H]1C(=O)[O-])cc2=O	ZINC000737154642	578482082	/nfs/dbraw/zinc/48/20/82/578482082.db2.gz	GDWAUKRNXVVJTC-IUCAKERBSA-N	-1	0	349.299	0.376	20	10		ECCDRM
O=C([O-])NCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000739937607	579723206	/nfs/dbraw/zinc/72/32/06/579723206.db2.gz	BLCQDAURWXYSKZ-UHFFFAOYSA-N	-1	0	325.340	0.936	20	10		ECCDRM
O=C([O-])NCC(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2	ZINC000834196656	588888769	/nfs/dbraw/zinc/88/87/69/588888769.db2.gz	PKGQALBGKKXCEA-UHFFFAOYSA-N	-1	0	335.360	0.271	20	10		ECCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)[N-]OCCOC)cc1F	ZINC000804851737	586084578	/nfs/dbraw/zinc/08/45/78/586084578.db2.gz	MTVMMPRHRBXMLS-UHFFFAOYSA-N	-1	0	341.383	0.982	20	10		ECCDRM
O=S1(=O)NC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN21	ZINC000897276785	586292012	/nfs/dbraw/zinc/29/20/12/586292012.db2.gz	BOGCKAJKBBCNPA-SECBINFHSA-N	-1	0	335.788	0.519	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-]	ZINC000843257331	589057389	/nfs/dbraw/zinc/05/73/89/589057389.db2.gz	OSPIEPFSNXHGEF-IUODEOHRSA-N	-1	0	347.415	0.938	20	10		ECCDRM
CN(C)C(=O)CNC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807511842	587130004	/nfs/dbraw/zinc/13/00/04/587130004.db2.gz	XUYKDPPGLOGVTM-UHFFFAOYSA-N	-1	0	348.186	0.520	20	10		ECCDRM
C[C@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817115192	587333849	/nfs/dbraw/zinc/33/38/49/587333849.db2.gz	KXBDVRHJMAQDNO-SMDDNHRTSA-N	-1	0	349.387	0.242	20	10		ECCDRM
O=C([O-])CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000819490026	587480699	/nfs/dbraw/zinc/48/06/99/587480699.db2.gz	JVWTWLJKRMCPOE-UHFFFAOYSA-N	-1	0	325.340	0.936	20	10		ECCDRM
C[C@@H](NC(N)=O)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825473085	587945205	/nfs/dbraw/zinc/94/52/05/587945205.db2.gz	NLZLFTWASQCWMO-BXKDBHETSA-N	-1	0	337.380	0.234	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CCn2ccnn2)NC(=O)[O-])cc1	ZINC000828063407	588156008	/nfs/dbraw/zinc/15/60/08/588156008.db2.gz	FUENZOHAKMZATC-CQSZACIVSA-N	-1	0	346.391	0.859	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)[C@H]3C[C@H](O)CN3C(=O)[O-])ccc21	ZINC000828487163	588183349	/nfs/dbraw/zinc/18/33/49/588183349.db2.gz	IACKTLGECHUJCN-DZGCQCFKSA-N	-1	0	333.388	0.798	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1	ZINC000832699576	588497812	/nfs/dbraw/zinc/49/78/12/588497812.db2.gz	LIMGYICUFSEUOY-LLVKDONJSA-N	-1	0	342.373	0.747	20	10		ECCDRM
O=C([O-])C1CCN(C(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)CC1	ZINC000833095069	588521283	/nfs/dbraw/zinc/52/12/83/588521283.db2.gz	PEEUVJAWUXLVIC-RQOWECAXSA-N	-1	0	349.339	0.977	20	10		ECCDRM
O=S(=O)([N-]N=c1[nH]c2cccnc2s1)N1CCCOCC1	ZINC000857225356	589690028	/nfs/dbraw/zinc/69/00/28/589690028.db2.gz	KFOFMJGXWPBAGQ-UHFFFAOYSA-N	-1	0	329.407	0.575	20	10		ECCDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868343378	589893861	/nfs/dbraw/zinc/89/38/61/589893861.db2.gz	ONDUDXYJZJBGMS-JQWIXIFHSA-N	-1	0	332.356	0.804	20	10		ECCDRM
COc1ccc(N(C)CCN(C)C(=O)NCCOCC(=O)[O-])cc1	ZINC000874409197	590238735	/nfs/dbraw/zinc/23/87/35/590238735.db2.gz	WAEJSNKACMCNAS-UHFFFAOYSA-N	-1	0	339.392	0.874	20	10		ECCDRM
O=C([N-]CC1CN(C(=O)c2c(F)ccc(O)c2O)C1)C(F)(F)F	ZINC000881447866	590456366	/nfs/dbraw/zinc/45/63/66/590456366.db2.gz	DGKCLPKFXMDJFH-UHFFFAOYSA-N	-1	0	336.241	0.987	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC000070416447	610327087	/nfs/dbraw/zinc/32/70/87/610327087.db2.gz	BKVQCPNYPJYGRU-UHFFFAOYSA-N	-1	0	330.391	0.972	20	10		ECCDRM
CN1CCN(C(=O)C2CCN(C(=O)c3cccc(O)c3O)CC2)CC1	ZINC000274899348	436888712	/nfs/dbraw/zinc/88/87/12/436888712.db2.gz	PCPPFPBCJNBRSA-UHFFFAOYSA-N	-1	0	347.415	0.724	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](C(=O)[O-])C2)cc1	ZINC000737476647	578499041	/nfs/dbraw/zinc/49/90/41/578499041.db2.gz	LZYPKWZYFHTFIA-OAHLLOKOSA-N	-1	0	335.404	0.496	20	10		ECCDRM
COc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1O	ZINC000797819783	578635600	/nfs/dbraw/zinc/63/56/00/578635600.db2.gz	SIBUZYLCOFDUHU-UHFFFAOYSA-N	-1	0	325.346	0.639	20	10		ECCDRM
C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-]	ZINC000780444546	578693757	/nfs/dbraw/zinc/69/37/57/578693757.db2.gz	CFIBIHSTWSWDQV-SNVBAGLBSA-N	-1	0	325.340	0.935	20	10		ECCDRM
CN(CC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000780445793	578693787	/nfs/dbraw/zinc/69/37/87/578693787.db2.gz	RQLZUDXNQBSGGG-UHFFFAOYSA-N	-1	0	325.340	0.888	20	10		ECCDRM
CN(C)S(=O)(=O)N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000775648322	579269404	/nfs/dbraw/zinc/26/94/04/579269404.db2.gz	DNPLKMDAOXNCRU-UHFFFAOYSA-N	-1	0	333.841	0.970	20	10		ECCDRM
O=C(Cn1cnnn1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000894767365	586410555	/nfs/dbraw/zinc/41/05/55/586410555.db2.gz	WNDBOIIUWFUXOF-UHFFFAOYSA-N	-1	0	338.318	0.001	20	10		ECCDRM
C/C(=C\COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000825775500	587960657	/nfs/dbraw/zinc/96/06/57/587960657.db2.gz	TVTVCDDISBRVBN-VMPITWQZSA-N	-1	0	329.330	0.951	20	10		ECCDRM
COc1ccc(O)c([C@@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000826210244	588010346	/nfs/dbraw/zinc/01/03/46/588010346.db2.gz	JZOIUODKFUDQJX-MRVPVSSYSA-N	-1	0	344.335	0.050	20	10		ECCDRM
CC(C)(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000833422239	588540929	/nfs/dbraw/zinc/54/09/29/588540929.db2.gz	BOUNVGRQTDOZER-NSHDSACASA-N	-1	0	344.389	0.993	20	10		ECCDRM
CCO[N-]C(=O)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	ZINC000844738180	589118976	/nfs/dbraw/zinc/11/89/76/589118976.db2.gz	OEHNLMPZGNHBGH-UHFFFAOYSA-N	-1	0	341.751	0.878	20	10		ECCDRM
CN(C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279747	589194953	/nfs/dbraw/zinc/19/49/53/589194953.db2.gz	KHFKARYSRXRDOF-GFCCVEGCSA-N	-1	0	342.417	0.868	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCCn2cccn2)cc1	ZINC000872895230	590172634	/nfs/dbraw/zinc/17/26/34/590172634.db2.gz	VAZIKAHRHTUXJX-UHFFFAOYSA-N	-1	0	346.387	0.989	20	10		ECCDRM
CS(=O)(=O)NC[C@H]1COCCN1Cc1cccc(Cl)c1[O-]	ZINC000877673907	590477209	/nfs/dbraw/zinc/47/72/09/590477209.db2.gz	JWCGWJBLSZPDKT-NSHDSACASA-N	-1	0	334.825	0.796	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000325855833	601382983	/nfs/dbraw/zinc/38/29/83/601382983.db2.gz	WKUQDYCKTVLANV-JRBALWBOSA-N	-1	0	332.316	0.906	20	10		ECCDRM
O=C([O-])CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1COCCO1	ZINC000911360191	609856497	/nfs/dbraw/zinc/85/64/97/609856497.db2.gz	OEQOBOSWGHLNNJ-LBPRGKRZSA-N	-1	0	329.736	0.874	20	10		ECCDRM
O=C([O-])CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000842570165	611315527	/nfs/dbraw/zinc/31/55/27/611315527.db2.gz	DVLCTSIIWQCECG-UHFFFAOYSA-N	-1	0	340.401	0.402	20	10		ECCDRM
O=C1NC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN2C1=O	ZINC000294472337	436957206	/nfs/dbraw/zinc/95/72/06/436957206.db2.gz	ZNUVUBXRVYJFHI-VIFPVBQESA-N	-1	0	327.743	0.327	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(NS(=O)(=O)C2CC2)cc1C(=O)[O-]	ZINC000263922746	437004094	/nfs/dbraw/zinc/00/40/94/437004094.db2.gz	CVZCQYHYIHLZDO-UHFFFAOYSA-N	-1	0	334.375	0.660	20	10		ECCDRM
NC(=O)CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000727175441	578156307	/nfs/dbraw/zinc/15/63/07/578156307.db2.gz	BIGPPLFJYMHPSQ-WTKPLQERSA-N	-1	0	339.354	0.987	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CC[C@H](C)C2)ccc1[O-]	ZINC000790407762	578873470	/nfs/dbraw/zinc/87/34/70/578873470.db2.gz	PQKVCWPQWWIMJZ-VIFPVBQESA-N	-1	0	349.434	0.299	20	10		ECCDRM
O=C([O-])N1CCOC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740451421	579748188	/nfs/dbraw/zinc/74/81/88/579748188.db2.gz	SEWBVSCKFVRBAR-OAHLLOKOSA-N	-1	0	349.387	0.518	20	10		ECCDRM
O=C([O-])CCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000843257923	589057502	/nfs/dbraw/zinc/05/75/02/589057502.db2.gz	WNXIFEXONXAGSQ-UHFFFAOYSA-N	-1	0	331.372	0.660	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N1CCN(c2ccc(OC)cc2)CC1	ZINC000888332757	586770571	/nfs/dbraw/zinc/77/05/71/586770571.db2.gz	IEZKSVPHBZUNKD-UHFFFAOYSA-N	-1	0	331.380	0.478	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)NC2)NC(=O)[O-])cc1	ZINC000828056219	588155626	/nfs/dbraw/zinc/15/56/26/588155626.db2.gz	NTULHAJJVDQTNE-JSGCOSHPSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2COCCO2)NC(=O)[O-])cc1	ZINC000828055754	588155806	/nfs/dbraw/zinc/15/58/06/588155806.db2.gz	JPVACGVFIOWHEO-KBPBESRZSA-N	-1	0	337.376	0.593	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(C)C2)NC(=O)[O-])cc1	ZINC000828451206	588180012	/nfs/dbraw/zinc/18/00/12/588180012.db2.gz	CURMKPPWVNJATJ-GXTWGEPZSA-N	-1	0	348.403	0.656	20	10		ECCDRM
O=C([O-])N1CC(NC(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000831715328	588443843	/nfs/dbraw/zinc/44/38/43/588443843.db2.gz	QHNZPMPHXYCHQN-UHFFFAOYSA-N	-1	0	334.376	0.685	20	10		ECCDRM
CCN1CC[C@@H](NC(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)C1=O	ZINC000853008300	589529215	/nfs/dbraw/zinc/52/92/15/589529215.db2.gz	NSKWWVDMFPEBDB-CQSZACIVSA-N	-1	0	349.387	0.323	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)Cc2cnn(C)c2)cc1	ZINC000872886222	590172153	/nfs/dbraw/zinc/17/21/53/590172153.db2.gz	BLKITTCHRXEOFH-UHFFFAOYSA-N	-1	0	346.387	0.978	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC[S@](C)=O)cc1	ZINC000872928518	590175008	/nfs/dbraw/zinc/17/50/08/590175008.db2.gz	JREOUPBBLLUEHB-QHCPKHFHSA-N	-1	0	342.417	0.471	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CC2)cc1	ZINC000325753972	733965874	/nfs/dbraw/zinc/96/58/74/733965874.db2.gz	CXIZUZYAMLUBTD-LSDHHAIUSA-N	-1	0	334.372	0.976	20	10		ECCDRM
NC(=O)CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c([O-])c2)SC1=S	ZINC000727176729	578156383	/nfs/dbraw/zinc/15/63/83/578156383.db2.gz	ZAKHJWGNHBPYBA-RUDMXATFSA-N	-1	0	339.354	0.987	20	10		ECCDRM
COc1ccc(N2CCN(Cn3nc(C(=O)[O-])ccc3=O)CC2)cc1	ZINC000738022948	579595642	/nfs/dbraw/zinc/59/56/42/579595642.db2.gz	PTGQVYVPAGBCOF-UHFFFAOYSA-N	-1	0	344.371	0.730	20	10		ECCDRM
CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000895438539	586183050	/nfs/dbraw/zinc/18/30/50/586183050.db2.gz	XUBSRUUAIZATFX-NSHDSACASA-N	-1	0	336.360	0.420	20	10		ECCDRM
COC(OC)C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	ZINC000899262191	586479955	/nfs/dbraw/zinc/47/99/55/586479955.db2.gz	HAIMYJULFPOJBC-UHFFFAOYSA-N	-1	0	342.323	0.140	20	10		ECCDRM
CNS(=O)(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1[O-]	ZINC000807384440	587126024	/nfs/dbraw/zinc/12/60/24/587126024.db2.gz	KGTMXOLGXRJFQY-UHFFFAOYSA-N	-1	0	338.341	0.964	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1	ZINC000820894604	587562351	/nfs/dbraw/zinc/56/23/51/587562351.db2.gz	YXEWTHODOWQNAZ-NSHDSACASA-N	-1	0	342.373	0.843	20	10		ECCDRM
CN(C)C(=O)COC1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000830552101	588375765	/nfs/dbraw/zinc/37/57/65/588375765.db2.gz	XBVGQABWUKVKNI-GQCTYLIASA-N	-1	0	349.343	0.986	20	10		ECCDRM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCCCSc1nccs1	ZINC000831681007	588441370	/nfs/dbraw/zinc/44/13/70/588441370.db2.gz	OEJPCUXRWBVSAK-IUCAKERBSA-N	-1	0	331.419	0.855	20	10		ECCDRM
COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1	ZINC000833733195	588563604	/nfs/dbraw/zinc/56/36/04/588563604.db2.gz	BXSTZKAALDXERJ-UHFFFAOYSA-N	-1	0	347.327	0.692	20	10		ECCDRM
O=C([O-])COCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000844252013	589105565	/nfs/dbraw/zinc/10/55/65/589105565.db2.gz	FJEGALNIUGCAAR-UHFFFAOYSA-N	-1	0	340.351	0.504	20	10		ECCDRM
Nc1ccc(CC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)cc1	ZINC000849366141	589327116	/nfs/dbraw/zinc/32/71/16/589327116.db2.gz	MFCRBLFTJICIFJ-ZDUSSCGKSA-N	-1	0	345.399	0.735	20	10		ECCDRM
O=C([O-])[C@]12COC[C@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2	ZINC000852910269	589524866	/nfs/dbraw/zinc/52/48/66/589524866.db2.gz	QPKHERAWRLNLSK-ANRSDYALSA-N	-1	0	349.299	0.463	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccnn2C)cc1	ZINC000853007083	589529183	/nfs/dbraw/zinc/52/91/83/589529183.db2.gz	OQOXOLUMZQYWFB-UHFFFAOYSA-N	-1	0	346.387	0.679	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000914400557	609884337	/nfs/dbraw/zinc/88/43/37/609884337.db2.gz	ODUNZIMBSBACDH-LBPRGKRZSA-N	-1	0	336.392	0.561	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1	ZINC000037791389	770559327	/nfs/dbraw/zinc/55/93/27/770559327.db2.gz	WZWCIBDHWSPFBQ-UHFFFAOYSA-N	-1	0	330.391	0.972	20	10		ECCDRM
NC(=O)COc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1	ZINC000765036163	579060797	/nfs/dbraw/zinc/06/07/97/579060797.db2.gz	KSDLIPQZMJWNFY-UHFFFAOYSA-N	-1	0	348.340	0.888	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000740003192	579726769	/nfs/dbraw/zinc/72/67/69/579726769.db2.gz	WMCXJOHWVJNEFN-SECBINFHSA-N	-1	0	343.361	0.246	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)C(=O)NCCCC(=O)[O-])ccc21	ZINC000817107057	587332952	/nfs/dbraw/zinc/33/29/52/587332952.db2.gz	NIMVALYJYACBAP-UHFFFAOYSA-N	-1	0	333.388	0.666	20	10		ECCDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000817109435	587333196	/nfs/dbraw/zinc/33/31/96/587333196.db2.gz	VOBYWAUBYPIZBR-AWEZNQCLSA-N	-1	0	345.399	0.836	20	10		ECCDRM
COc1ccc(N2CC[C@@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000819586842	587483255	/nfs/dbraw/zinc/48/32/55/587483255.db2.gz	UVINCFQCOTTZET-JTQLQIEISA-N	-1	0	345.359	0.548	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(=O)[O-])CC2)cc1	ZINC000820841099	587559588	/nfs/dbraw/zinc/55/95/88/587559588.db2.gz	IAJLLSMHWYWXGM-VOTSOKGWSA-N	-1	0	347.371	0.101	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)NC2)NC(=O)[O-])cc1	ZINC000828056220	588155726	/nfs/dbraw/zinc/15/57/26/588155726.db2.gz	NTULHAJJVDQTNE-OCCSQVGLSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@H]2CNC(=O)[O-])cc1	ZINC000828507031	588185300	/nfs/dbraw/zinc/18/53/00/588185300.db2.gz	MDJLIMLEERTBPK-OAHLLOKOSA-N	-1	0	349.435	0.846	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1	ZINC000832699338	588497693	/nfs/dbraw/zinc/49/76/93/588497693.db2.gz	GEOIGZDECODTHE-JTQLQIEISA-N	-1	0	342.373	0.843	20	10		ECCDRM
C[C@@](O)(CNC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)[O-]	ZINC000844932246	589125828	/nfs/dbraw/zinc/12/58/28/589125828.db2.gz	DXDUBVSCVKHHSE-OAHLLOKOSA-N	-1	0	335.385	0.882	20	10		ECCDRM
CCO[N-]C(=O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852399680	589494012	/nfs/dbraw/zinc/49/40/12/589494012.db2.gz	PXNRCSGCHSRRPZ-GFCCVEGCSA-N	-1	0	336.392	0.641	20	10		ECCDRM
Cc1ncc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)n1C	ZINC000863399812	590010775	/nfs/dbraw/zinc/01/07/75/590010775.db2.gz	DTQGDFRLVRAMHE-UHFFFAOYSA-N	-1	0	344.418	0.901	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@H]1C(=O)[O-]	ZINC000863749146	590033614	/nfs/dbraw/zinc/03/36/14/590033614.db2.gz	WYUVNIGNBXYVHG-DGCLKSJQSA-N	-1	0	334.372	0.920	20	10		ECCDRM
NC(=O)CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000179833277	437275573	/nfs/dbraw/zinc/27/55/73/437275573.db2.gz	LWEZOIPLNRBKHR-UHFFFAOYSA-N	-1	0	328.756	0.557	20	10		ECCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)n1-c1cccc(C)c1	ZINC000766930130	579097817	/nfs/dbraw/zinc/09/78/17/579097817.db2.gz	WUPJKTCBLNZYKJ-UHFFFAOYSA-N	-1	0	349.412	0.947	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000738021931	579595612	/nfs/dbraw/zinc/59/56/12/579595612.db2.gz	KGLIJHOTIOTULU-HOTGVXAUSA-N	-1	0	347.415	0.654	20	10		ECCDRM
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740449849	579748296	/nfs/dbraw/zinc/74/82/96/579748296.db2.gz	AHJUNXQHIQKEIP-GJZGRUSLSA-N	-1	0	349.387	0.253	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)C2(C(N)=O)CCC2)NC(=O)[O-])cc1	ZINC000828055502	588155774	/nfs/dbraw/zinc/15/57/74/588155774.db2.gz	IIRHBCHAXXXLFU-ZDUSSCGKSA-N	-1	0	348.403	0.833	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)NC(=O)[O-])cc1	ZINC000828451208	588179998	/nfs/dbraw/zinc/17/99/98/588179998.db2.gz	CURMKPPWVNJATJ-JSGCOSHPSA-N	-1	0	348.403	0.656	20	10		ECCDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCCCSc1nccs1	ZINC000831681003	588441507	/nfs/dbraw/zinc/44/15/07/588441507.db2.gz	OEJPCUXRWBVSAK-BDAKNGLRSA-N	-1	0	331.419	0.855	20	10		ECCDRM
CN(Cc1cc(=O)n(C)c(=O)n1C)c1ccc(OCC(=O)[O-])cc1	ZINC000833694524	588559592	/nfs/dbraw/zinc/55/95/92/588559592.db2.gz	KXJFDKUALZNOGX-UHFFFAOYSA-N	-1	0	333.344	0.184	20	10		ECCDRM
C[C@H](CNC(=O)C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000848607755	589303280	/nfs/dbraw/zinc/30/32/80/589303280.db2.gz	ICCVOCZPGIUHOV-MRVPVSSYSA-N	-1	0	331.419	0.578	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cnnn2C)cc1	ZINC000853008808	589529241	/nfs/dbraw/zinc/52/92/41/589529241.db2.gz	ZPWBUAAOLGZFFU-UHFFFAOYSA-N	-1	0	333.348	0.031	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000325855834	601383059	/nfs/dbraw/zinc/38/30/59/601383059.db2.gz	WKUQDYCKTVLANV-MORRKMRCSA-N	-1	0	332.316	0.906	20	10		ECCDRM
CC[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000927940914	611661430	/nfs/dbraw/zinc/66/14/30/611661430.db2.gz	HNLYKCCLCWFOQH-ZDUSSCGKSA-N	-1	0	347.415	0.912	20	10		ECCDRM
CN(CC(=O)NC1CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000920431006	609683763	/nfs/dbraw/zinc/68/37/63/609683763.db2.gz	KJBFRGLJBDLZFX-UHFFFAOYSA-N	-1	0	341.389	0.114	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1	ZINC000916225268	609935562	/nfs/dbraw/zinc/93/55/62/609935562.db2.gz	FISYOAOKMHWBJI-UHFFFAOYSA-N	-1	0	336.392	0.641	20	10		ECCDRM
COCCNC(=O)CN1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000179616089	437269370	/nfs/dbraw/zinc/26/93/70/437269370.db2.gz	LGGFMEVLASEMCK-UHFFFAOYSA-N	-1	0	341.839	0.926	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N(C)CC2CC2)ccc1[O-]	ZINC000790407798	578873313	/nfs/dbraw/zinc/87/33/13/578873313.db2.gz	REDCXRPVVIWGEP-UHFFFAOYSA-N	-1	0	349.434	0.299	20	10		ECCDRM
O=C1NC(=O)N2CCN(Cc3cccc(Br)c3[O-])C[C@@H]12	ZINC000779433069	579315812	/nfs/dbraw/zinc/31/58/12/579315812.db2.gz	PAVWQKFSJYLLTN-JTQLQIEISA-N	-1	0	340.177	0.891	20	10		ECCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+](C)CC(=O)[O-])c1	ZINC000738586153	579639983	/nfs/dbraw/zinc/63/99/83/579639983.db2.gz	PMQXEXZHUBSYQW-UHFFFAOYSA-N	-1	0	336.388	0.943	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])cc1F	ZINC000739618951	579698409	/nfs/dbraw/zinc/69/84/09/579698409.db2.gz	QWLORKVSYZLLSE-GWCFXTLKSA-N	-1	0	325.340	0.621	20	10		ECCDRM
COC(=O)CNC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739761118	579711141	/nfs/dbraw/zinc/71/11/41/579711141.db2.gz	KTXFOVPSDWAPRS-UHFFFAOYSA-N	-1	0	335.360	0.496	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)[O-])cc2)C1	ZINC000819110941	587469013	/nfs/dbraw/zinc/46/90/13/587469013.db2.gz	FGSDSDSLAXAUML-ZDUSSCGKSA-N	-1	0	348.403	0.662	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCNC1=O	ZINC000831706575	588442989	/nfs/dbraw/zinc/44/29/89/588442989.db2.gz	GWPUUUAVPFZTFT-NSHDSACASA-N	-1	0	340.763	0.683	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CC(=O)[O-])C2CC2)c1	ZINC000833737482	588563635	/nfs/dbraw/zinc/56/36/35/588563635.db2.gz	GAVKBMBNUHXDDN-UHFFFAOYSA-N	-1	0	328.346	0.453	20	10		ECCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)C(=O)[O-]	ZINC000848608410	589303113	/nfs/dbraw/zinc/30/31/13/589303113.db2.gz	FVBJJNVMVGIUQX-GFCCVEGCSA-N	-1	0	335.404	0.938	20	10		ECCDRM
CC1(C(=O)[O-])CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1	ZINC000868342043	589893751	/nfs/dbraw/zinc/89/37/51/589893751.db2.gz	GBVSNOIKGJFGRT-UHFFFAOYSA-N	-1	0	332.356	0.948	20	10		ECCDRM
O=C(NC1CC1)C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876614694	590391465	/nfs/dbraw/zinc/39/14/65/590391465.db2.gz	SEXWBNDXAMQCDY-UHFFFAOYSA-N	-1	0	339.342	0.593	20	10		ECCDRM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(F)c1[O-]	ZINC000876616145	590392147	/nfs/dbraw/zinc/39/21/47/590392147.db2.gz	IMIWOZPKLMIRKK-JTQLQIEISA-N	-1	0	348.371	0.406	20	10		ECCDRM
O=C([O-])/C=C/c1ccc(N2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1	ZINC000387101336	599755622	/nfs/dbraw/zinc/75/56/22/599755622.db2.gz	XFOMGGBHESFHRI-DUXPYHPUSA-N	-1	0	326.330	0.927	20	10		ECCDRM
C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])C[C@@H](C)O1	ZINC000314597065	749346457	/nfs/dbraw/zinc/34/64/57/749346457.db2.gz	CGKCLPFNIKAGIN-RKDXNWHRSA-N	-1	0	330.362	0.856	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)CSc3n[nH]c(=O)[n-]3)ccc21	ZINC000187044130	437492333	/nfs/dbraw/zinc/49/23/33/437492333.db2.gz	JPRYNDPKEXEROH-UHFFFAOYSA-N	-1	0	333.417	0.889	20	10		ECCDRM
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2F)C[C@@H](C)O1	ZINC000731870689	578316367	/nfs/dbraw/zinc/31/63/67/578316367.db2.gz	MUWCRSMQBKUQPE-GHMZBOCLSA-N	-1	0	348.378	0.931	20	10		ECCDRM
CC(C)[C@@H]1C(=O)NCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737618163	578512731	/nfs/dbraw/zinc/51/27/31/578512731.db2.gz	ZHDNFFSTRUILEQ-GFCCVEGCSA-N	-1	0	333.348	0.090	20	10		ECCDRM
CC(C)[C@H]1C(=O)NCCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737618164	578512787	/nfs/dbraw/zinc/51/27/87/578512787.db2.gz	ZHDNFFSTRUILEQ-LBPRGKRZSA-N	-1	0	333.348	0.090	20	10		ECCDRM
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000773745596	579232893	/nfs/dbraw/zinc/23/28/93/579232893.db2.gz	MQYZEQGCRORIKU-SECBINFHSA-N	-1	0	343.343	0.230	20	10		ECCDRM
CNS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000813685641	587259498	/nfs/dbraw/zinc/25/94/98/587259498.db2.gz	NIGBUISMZVQDRZ-UHFFFAOYSA-N	-1	0	327.189	0.864	20	10		ECCDRM
CC(=O)NCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)C(=O)[O-]	ZINC000819744302	587488513	/nfs/dbraw/zinc/48/85/13/587488513.db2.gz	FQLGRKGHUGRHFH-AYYIZTPMSA-N	-1	0	336.344	0.549	20	10		ECCDRM
CC(=O)NCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)C(=O)[O-]	ZINC000819744303	587488565	/nfs/dbraw/zinc/48/85/65/587488565.db2.gz	FQLGRKGHUGRHFH-DFVUYQKZSA-N	-1	0	336.344	0.549	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2COCCO2)NC(=O)[O-])cc1	ZINC000828055757	588155710	/nfs/dbraw/zinc/15/57/10/588155710.db2.gz	JPVACGVFIOWHEO-ZIAGYGMSSA-N	-1	0	337.376	0.593	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CCn2cncn2)NC(=O)[O-])cc1	ZINC000828063991	588155950	/nfs/dbraw/zinc/15/59/50/588155950.db2.gz	KWLKJZKHYDSJKK-AWEZNQCLSA-N	-1	0	346.391	0.859	20	10		ECCDRM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C(=O)[O-]	ZINC000828385183	588175638	/nfs/dbraw/zinc/17/56/38/588175638.db2.gz	GPDMEURVAWMXCD-KWQFWETISA-N	-1	0	342.373	0.556	20	10		ECCDRM
O=C([O-])N1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1	ZINC000831715544	588444044	/nfs/dbraw/zinc/44/40/44/588444044.db2.gz	SRZYIHKXEMOZBR-HNNXBMFYSA-N	-1	0	349.387	0.518	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](C(=O)[O-])C2CC2)c1	ZINC000833737168	588563648	/nfs/dbraw/zinc/56/36/48/588563648.db2.gz	BXTVGNCTIDDTNV-NSHDSACASA-N	-1	0	328.346	0.357	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@@](C)(OC)C(=O)[O-])CC2)cc1F	ZINC000852951533	589527820	/nfs/dbraw/zinc/52/78/20/589527820.db2.gz	QIDCCHMGCIBLLV-MRXNPFEDSA-N	-1	0	340.351	0.973	20	10		ECCDRM
C[C@]1(C(F)F)CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CCO1	ZINC000853084759	589531747	/nfs/dbraw/zinc/53/17/47/589531747.db2.gz	MSRFAEDEQXDKJW-CQSZACIVSA-N	-1	0	342.302	0.989	20	10		ECCDRM
O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC(=O)NC(=O)N1	ZINC000854473639	589588713	/nfs/dbraw/zinc/58/87/13/589588713.db2.gz	CEDCAHVDXCBVKU-QMMMGPOBSA-N	-1	0	332.143	0.913	20	10		ECCDRM
CN(C)S(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876565803	590387304	/nfs/dbraw/zinc/38/73/04/590387304.db2.gz	NXMASEIPORSWSQ-UHFFFAOYSA-N	-1	0	335.376	0.594	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncn(C)n1	ZINC000291642784	437615491	/nfs/dbraw/zinc/61/54/91/437615491.db2.gz	IWVLGEACUOMEJN-UHFFFAOYSA-N	-1	0	338.751	0.990	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1	ZINC000299602673	437094144	/nfs/dbraw/zinc/09/41/44/437094144.db2.gz	NATNRBPKZQOQOJ-UHFFFAOYSA-N	-1	0	344.418	0.983	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	ZINC000888332855	586771120	/nfs/dbraw/zinc/77/11/20/586771120.db2.gz	LSNLTJKHFVEUDN-UHFFFAOYSA-N	-1	0	349.370	0.617	20	10		ECCDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCCCSc1nccs1	ZINC000817110562	587333147	/nfs/dbraw/zinc/33/31/47/587333147.db2.gz	HOVPXZKHLXZKLX-UHFFFAOYSA-N	-1	0	331.419	0.675	20	10		ECCDRM
C[C@@H](CN(C)C(=O)C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000817110677	587333214	/nfs/dbraw/zinc/33/32/14/587333214.db2.gz	KKCLGISXTQLBNV-VIFPVBQESA-N	-1	0	345.446	0.921	20	10		ECCDRM
COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828625271	588194336	/nfs/dbraw/zinc/19/43/36/588194336.db2.gz	XYFXPIJYDONXSO-MGPQQGTHSA-N	-1	0	349.387	0.987	20	10		ECCDRM
O=C([O-])CCNC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000833237172	588530289	/nfs/dbraw/zinc/53/02/89/588530289.db2.gz	UUQODKUFBDUWSG-CQSZACIVSA-N	-1	0	336.388	0.964	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCCn2ccnn2)cc1	ZINC000853006694	589529204	/nfs/dbraw/zinc/52/92/04/589529204.db2.gz	IIZKOZQRQIBPOG-UHFFFAOYSA-N	-1	0	347.375	0.384	20	10		ECCDRM
CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-]	ZINC000927942700	611662054	/nfs/dbraw/zinc/66/20/54/611662054.db2.gz	GRSDRUPUXMEATJ-LBPRGKRZSA-N	-1	0	335.404	0.904	20	10		ECCDRM
CN1CCO[C@H](C(=O)NCc2cccc(Br)c2O)C1=O	ZINC000907758793	609618925	/nfs/dbraw/zinc/61/89/25/609618925.db2.gz	UPVQDEUJNMCCOU-LLVKDONJSA-N	-1	0	343.177	0.628	20	10		ECCDRM
COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cccc(Cl)c1[O-]	ZINC000276722240	437153498	/nfs/dbraw/zinc/15/34/98/437153498.db2.gz	FSNORIPXIZMODN-NSHDSACASA-N	-1	0	333.793	0.818	20	10		ECCDRM
COc1ccc(O)c([C@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730591250	578307912	/nfs/dbraw/zinc/30/79/12/578307912.db2.gz	VVYYAQJPWAGGOH-VIFPVBQESA-N	-1	0	343.343	0.663	20	10		ECCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCNC(=O)[O-]	ZINC000739710018	579705068	/nfs/dbraw/zinc/70/50/68/579705068.db2.gz	NZMKNKHMRDHGME-UHFFFAOYSA-N	-1	0	336.392	0.932	20	10		ECCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2CCN1C(=O)CNC1=O	ZINC000740674205	579758839	/nfs/dbraw/zinc/75/88/39/579758839.db2.gz	NDUDBQAYSSGCBD-UHFFFAOYSA-N	-1	0	332.360	0.759	20	10		ECCDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000817116725	587333927	/nfs/dbraw/zinc/33/39/27/587333927.db2.gz	ZAIKJMDPIGKCJR-CYBMUJFWSA-N	-1	0	345.399	0.858	20	10		ECCDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	ZINC000817896604	587391161	/nfs/dbraw/zinc/39/11/61/587391161.db2.gz	LTZMDMNZKYQDPR-WCQYABFASA-N	-1	0	334.372	0.920	20	10		ECCDRM
COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)onc1N	ZINC000821190528	587577622	/nfs/dbraw/zinc/57/76/22/587577622.db2.gz	ABXTVAJAHWTRLZ-UHFFFAOYSA-N	-1	0	327.318	0.858	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CC(=O)N1	ZINC000831706780	588443068	/nfs/dbraw/zinc/44/30/68/588443068.db2.gz	LFFRARFTSZLWPL-SNVBAGLBSA-N	-1	0	326.736	0.436	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CC(=O)N1	ZINC000831706739	588443140	/nfs/dbraw/zinc/44/31/40/588443140.db2.gz	KBZXZAQVDMTQDE-NSHDSACASA-N	-1	0	340.763	0.826	20	10		ECCDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1	ZINC000833820805	588570122	/nfs/dbraw/zinc/57/01/22/588570122.db2.gz	UJUHXEIHLZNBIO-DYQSUWPFSA-N	-1	0	338.360	0.675	20	10		ECCDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000848607983	589303323	/nfs/dbraw/zinc/30/33/23/589303323.db2.gz	NLPQYIMNLISMPZ-NSHDSACASA-N	-1	0	333.388	0.522	20	10		ECCDRM
CO[C@](C)(C(=O)[O-])C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000852950622	589527728	/nfs/dbraw/zinc/52/77/28/589527728.db2.gz	RFDUNEKSFBYOKY-KRWDZBQOSA-N	-1	0	336.388	0.971	20	10		ECCDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868343380	589893656	/nfs/dbraw/zinc/89/36/56/589893656.db2.gz	ONDUDXYJZJBGMS-ZYHUDNBSSA-N	-1	0	332.356	0.804	20	10		ECCDRM
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2nc(=O)[nH][n-]2)cc1	ZINC000123199516	590022208	/nfs/dbraw/zinc/02/22/08/590022208.db2.gz	CHZOUXSIUNJFQJ-CQSZACIVSA-N	-1	0	345.403	0.985	20	10		ECCDRM
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nnn[n-]1	ZINC000864635081	590090190	/nfs/dbraw/zinc/09/01/90/590090190.db2.gz	RJVIAJKSULJQSE-UHFFFAOYSA-N	-1	0	330.392	0.628	20	10		ECCDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c[nH]1	ZINC000070069524	610262598	/nfs/dbraw/zinc/26/25/98/610262598.db2.gz	QINVTINSXVPZQB-UHFFFAOYSA-N	-1	0	330.391	0.890	20	10		ECCDRM
CCNC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000737121432	578479477	/nfs/dbraw/zinc/47/94/77/578479477.db2.gz	LDWOWMGULZNFJI-UHFFFAOYSA-N	-1	0	343.767	0.778	20	10		ECCDRM
C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737746717	578522502	/nfs/dbraw/zinc/52/25/02/578522502.db2.gz	YFIPRLTYBGICRA-HKPSDFMSSA-N	-1	0	338.389	0.474	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCC[C@@H]2C)ccc1[O-]	ZINC000790404526	578873362	/nfs/dbraw/zinc/87/33/62/578873362.db2.gz	FANWSGLIDXDTPI-VIFPVBQESA-N	-1	0	349.434	0.441	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)[O-])CC2=O)cc1	ZINC000739617766	579698275	/nfs/dbraw/zinc/69/82/75/579698275.db2.gz	IUYXJMKDFJJXOU-UHFFFAOYSA-N	-1	0	334.376	0.191	20	10		ECCDRM
O=C1NC(=O)C2(CN(Cc3cc(Br)ccc3O)C2)N1	ZINC000897906882	586381598	/nfs/dbraw/zinc/38/15/98/586381598.db2.gz	DEUDMPDOXAGQME-UHFFFAOYSA-N	-1	0	326.150	0.549	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cn[nH]n1)cc2=O	ZINC000805605007	586923918	/nfs/dbraw/zinc/92/39/18/586923918.db2.gz	HOUJGKGBZZOUBH-UHFFFAOYSA-N	-1	0	332.276	0.087	20	10		ECCDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	ZINC000817896605	587391140	/nfs/dbraw/zinc/39/11/40/587391140.db2.gz	LTZMDMNZKYQDPR-YPMHNXCESA-N	-1	0	334.372	0.920	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000820894122	587562233	/nfs/dbraw/zinc/56/22/33/587562233.db2.gz	BLDNSPXMOBMYPR-JTQLQIEISA-N	-1	0	328.346	0.453	20	10		ECCDRM
C[C@@H](CS(=O)(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000827564367	588128711	/nfs/dbraw/zinc/12/87/11/588128711.db2.gz	WGZZWUDZCPDRKL-LBPRGKRZSA-N	-1	0	342.417	0.663	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2nccnc2N)NC(=O)[O-])cc1	ZINC000828064571	588155954	/nfs/dbraw/zinc/15/59/54/588155954.db2.gz	SZQHXGSNGQJWOH-GFCCVEGCSA-N	-1	0	344.375	0.864	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)Cn2cncn2)NC(=O)[O-])cc1	ZINC000828064020	588156016	/nfs/dbraw/zinc/15/60/16/588156016.db2.gz	KYQASJYJGYHUHK-ZDUSSCGKSA-N	-1	0	332.364	0.469	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)c2nccnc2N)NC(=O)[O-])cc1	ZINC000828064572	588156189	/nfs/dbraw/zinc/15/61/89/588156189.db2.gz	SZQHXGSNGQJWOH-LBPRGKRZSA-N	-1	0	344.375	0.864	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)CCCCF)ccc1[O-]	ZINC000829926990	588348310	/nfs/dbraw/zinc/34/83/10/588348310.db2.gz	IINSHIYWXAIOSR-UHFFFAOYSA-N	-1	0	340.398	0.792	20	10		ECCDRM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@H]1O	ZINC000275812567	437015910	/nfs/dbraw/zinc/01/59/10/437015910.db2.gz	IZFNJEPARXNRNK-CYBMUJFWSA-N	-1	0	342.417	0.997	20	10		ECCDRM
Cc1nc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1C	ZINC000263903965	437000845	/nfs/dbraw/zinc/00/08/45/437000845.db2.gz	YVHVUGKKLRNFGT-UHFFFAOYSA-N	-1	0	344.418	0.901	20	10		ECCDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cn1	ZINC000776747424	579288768	/nfs/dbraw/zinc/28/87/68/579288768.db2.gz	DGTBOWRDBMFYAY-UHFFFAOYSA-N	-1	0	325.346	0.871	20	10		ECCDRM
NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000776744956	579288800	/nfs/dbraw/zinc/28/88/00/579288800.db2.gz	RDPBGBWJVQBNCJ-UHFFFAOYSA-N	-1	0	328.371	0.840	20	10		ECCDRM
NC(=O)c1cn(C2CN(Cc3cc(Cl)cc(F)c3[O-])C2)nn1	ZINC000839145432	586838457	/nfs/dbraw/zinc/83/84/57/586838457.db2.gz	ZVNUHSDMAWORIN-UHFFFAOYSA-N	-1	0	325.731	0.932	20	10		ECCDRM
COC(=O)c1ccc(C(=O)Nc2nnc(C3=S=CC=C3)[n-]2)n1C	ZINC000815338838	587288667	/nfs/dbraw/zinc/28/86/67/587288667.db2.gz	PTEIEIBDTRRPJO-UHFFFAOYSA-N	-1	0	331.357	0.808	20	10		ECCDRM
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	ZINC000828012647	588152505	/nfs/dbraw/zinc/15/25/05/588152505.db2.gz	IMNACARGLVSRBA-CQSZACIVSA-N	-1	0	342.373	0.701	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)COCC(=O)[O-])cc2)C1	ZINC000844251027	589105184	/nfs/dbraw/zinc/10/51/84/589105184.db2.gz	VSBHJFZSAWDQOH-ZDUSSCGKSA-N	-1	0	349.387	0.106	20	10		ECCDRM
CCO[N-]C(=O)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1	ZINC000845536107	589156198	/nfs/dbraw/zinc/15/61/98/589156198.db2.gz	NBWMZITZQRGBTK-UHFFFAOYSA-N	-1	0	338.408	0.841	20	10		ECCDRM
CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000848607312	589303186	/nfs/dbraw/zinc/30/31/86/589303186.db2.gz	XIFJRDXMKDMFLD-CQSZACIVSA-N	-1	0	335.404	0.842	20	10		ECCDRM
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2nc(=O)[nH][n-]2)cc1	ZINC000123199374	590022327	/nfs/dbraw/zinc/02/23/27/590022327.db2.gz	CHZOUXSIUNJFQJ-AWEZNQCLSA-N	-1	0	345.403	0.985	20	10		ECCDRM
CS(=O)(=O)NC[C@H]1COCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000864052903	590052929	/nfs/dbraw/zinc/05/29/29/590052929.db2.gz	BTAUWHGOBWGBGX-JTQLQIEISA-N	-1	0	336.360	0.420	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000269281810	436654226	/nfs/dbraw/zinc/65/42/26/436654226.db2.gz	GFAHLQFAOKJYHD-MRXNPFEDSA-N	-1	0	347.415	0.893	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000734406531	578358614	/nfs/dbraw/zinc/35/86/14/578358614.db2.gz	UHWRASVFEPWCPU-UHFFFAOYSA-N	-1	0	340.387	0.762	20	10		ECCDRM
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(O)cc3)cnc21	ZINC000776745192	579288811	/nfs/dbraw/zinc/28/88/11/579288811.db2.gz	TVJCFIRVMXMRAB-UHFFFAOYSA-N	-1	0	348.340	0.541	20	10		ECCDRM
Cc1oc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1C(=O)[O-]	ZINC000738969191	579659023	/nfs/dbraw/zinc/65/90/23/579659023.db2.gz	JGFPTFMUPNOCOE-FPYGCLRLSA-N	-1	0	326.355	0.973	20	10		ECCDRM
NS(=O)(=O)[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739191955	579674424	/nfs/dbraw/zinc/67/44/24/579674424.db2.gz	JOBNSGJFTNCRLE-XCRNYIDWSA-N	-1	0	341.345	0.560	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C(=O)[O-]	ZINC000843257334	589057365	/nfs/dbraw/zinc/05/73/65/589057365.db2.gz	OSPIEPFSNXHGEF-WFASDCNBSA-N	-1	0	347.415	0.938	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N(C)CCN(C)c1ccc(OC)cc1	ZINC000888322870	586768824	/nfs/dbraw/zinc/76/88/24/586768824.db2.gz	OGTXQSRQUGEINQ-UHFFFAOYSA-N	-1	0	333.396	0.724	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000888341802	586772550	/nfs/dbraw/zinc/77/25/50/586772550.db2.gz	SCFAEQVNRTZGLJ-GFCCVEGCSA-N	-1	0	345.407	0.834	20	10		ECCDRM
COc1ccc2ccc(O)c(CN3CCN(CC(N)=O)C(=O)C3)c2c1	ZINC000840159807	587170471	/nfs/dbraw/zinc/17/04/71/587170471.db2.gz	PCHJQOCJQRJBDU-UHFFFAOYSA-N	-1	0	343.383	0.684	20	10		ECCDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C(=O)[O-]	ZINC000817106199	587332725	/nfs/dbraw/zinc/33/27/25/587332725.db2.gz	FJNCZZNHEPMVBR-GFCCVEGCSA-N	-1	0	347.415	0.864	20	10		ECCDRM
COC(=O)NCC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828713109	588200939	/nfs/dbraw/zinc/20/09/39/588200939.db2.gz	DJMMHFXUGQORQC-LBPRGKRZSA-N	-1	0	338.364	0.534	20	10		ECCDRM
O=C(COC1CN(C(=O)[O-])C1)NCc1ccc(N2CCOCC2)cc1	ZINC000831534384	588431888	/nfs/dbraw/zinc/43/18/88/588431888.db2.gz	YMJLELKZTRDFEL-UHFFFAOYSA-N	-1	0	349.387	0.518	20	10		ECCDRM
COc1cccc(CNC(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1O	ZINC000833735054	588563584	/nfs/dbraw/zinc/56/35/84/588563584.db2.gz	BMOMJAKBHRUPEO-UHFFFAOYSA-N	-1	0	347.327	0.692	20	10		ECCDRM
COc1ccc(O)c(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000833733424	588563718	/nfs/dbraw/zinc/56/37/18/588563718.db2.gz	HQKXGCVPKXUTSP-UHFFFAOYSA-N	-1	0	341.345	0.160	20	10		ECCDRM
C[C@@H](NC(=O)CCc1nnn[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000865018798	590120586	/nfs/dbraw/zinc/12/05/86/590120586.db2.gz	NWEBPYRRSHCKAT-GFCCVEGCSA-N	-1	0	330.392	0.846	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000914201074	609864710	/nfs/dbraw/zinc/86/47/10/609864710.db2.gz	WIEOJOSRIARGGI-UHFFFAOYSA-N	-1	0	338.433	0.717	20	10		ECCDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000912530727	609965884	/nfs/dbraw/zinc/96/58/84/609965884.db2.gz	FKWLBQXYAHKLLR-UHFFFAOYSA-N	-1	0	339.329	0.905	20	10		ECCDRM
CC(=O)NCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000299269866	437064004	/nfs/dbraw/zinc/06/40/04/437064004.db2.gz	UDSKBGMKJMVVMJ-UHFFFAOYSA-N	-1	0	329.378	0.020	20	10		ECCDRM
CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(C3=S=CC=C3)o2)n1	ZINC000341915690	437926622	/nfs/dbraw/zinc/92/66/22/437926622.db2.gz	DIIMGOLINDYFFM-UHFFFAOYSA-N	-1	0	338.370	0.679	20	10		ECCDRM
COc1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(O)c1	ZINC000794379325	578586214	/nfs/dbraw/zinc/58/62/14/578586214.db2.gz	PFKHKSOEQFYTGZ-UHFFFAOYSA-N	-1	0	329.316	0.102	20	10		ECCDRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cn1C	ZINC000797820210	578635602	/nfs/dbraw/zinc/63/56/02/578635602.db2.gz	LPHBJYFHRDAJJS-UHFFFAOYSA-N	-1	0	339.373	0.900	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](NC(=O)[O-])C1)cc2=O	ZINC000739482615	579690900	/nfs/dbraw/zinc/69/09/00/579690900.db2.gz	YBZSLECDBALNJM-VIFPVBQESA-N	-1	0	349.347	0.454	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])cc1F	ZINC000739618953	579698341	/nfs/dbraw/zinc/69/83/41/579698341.db2.gz	QWLORKVSYZLLSE-MFKMUULPSA-N	-1	0	325.340	0.621	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000888345355	586772775	/nfs/dbraw/zinc/77/27/75/586772775.db2.gz	WDCMTZOAGCDUHN-UHFFFAOYSA-N	-1	0	345.407	0.615	20	10		ECCDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000817106781	587332817	/nfs/dbraw/zinc/33/28/17/587332817.db2.gz	LOZOBUPETPUZNN-JTQLQIEISA-N	-1	0	339.367	0.687	20	10		ECCDRM
C[C@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817115190	587333866	/nfs/dbraw/zinc/33/38/66/587333866.db2.gz	KXBDVRHJMAQDNO-FZMZJTMJSA-N	-1	0	349.387	0.242	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-]	ZINC000817116324	587334164	/nfs/dbraw/zinc/33/41/64/587334164.db2.gz	SORRTIQPYSXTIW-GFCCVEGCSA-N	-1	0	335.404	0.856	20	10		ECCDRM
COc1ccc(N2CC[C@H](CNC(=O)c3n[nH]c(=O)[n-]c3=O)C2)cc1	ZINC000819586843	587483214	/nfs/dbraw/zinc/48/32/14/587483214.db2.gz	UVINCFQCOTTZET-SNVBAGLBSA-N	-1	0	345.359	0.548	20	10		ECCDRM
CC(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000819972616	587499830	/nfs/dbraw/zinc/49/98/30/587499830.db2.gz	RQSPZMWIUBZHAO-LLVKDONJSA-N	-1	0	344.389	0.993	20	10		ECCDRM
C/C(=C/COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000825775501	587960615	/nfs/dbraw/zinc/96/06/15/587960615.db2.gz	TVTVCDDISBRVBN-YVMONPNESA-N	-1	0	329.330	0.951	20	10		ECCDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000848607828	589303139	/nfs/dbraw/zinc/30/31/39/589303139.db2.gz	JXHCLIQKSCANAK-VIFPVBQESA-N	-1	0	325.340	0.345	20	10		ECCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1	ZINC000848607413	589303201	/nfs/dbraw/zinc/30/32/01/589303201.db2.gz	AGQOFOIYXFJOKE-GFCCVEGCSA-N	-1	0	335.404	0.986	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2CCCN(C)C2=O)cc1	ZINC000853005324	589529139	/nfs/dbraw/zinc/52/91/39/589529139.db2.gz	GZKGUWIWQIBGON-CQSZACIVSA-N	-1	0	349.387	0.323	20	10		ECCDRM
COc1c([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000854242448	589576428	/nfs/dbraw/zinc/57/64/28/589576428.db2.gz	MHUIUMPPVIYRQY-MEBBXXQBSA-N	-1	0	338.316	0.842	20	10		ECCDRM
CN1C(=O)C(=Cc2n[nH]c3cc(C(=O)[O-])ccc23)C(=O)N(C)C1=O	ZINC000765501085	579068034	/nfs/dbraw/zinc/06/80/34/579068034.db2.gz	UOXUEBJZPIVNDS-UHFFFAOYSA-N	-1	0	328.284	0.695	20	10		ECCDRM
Cc1cc(C(=O)[N-]S(=O)(=O)CC(N)=O)c(C)n1-c1ccccc1C	ZINC000766916762	579096711	/nfs/dbraw/zinc/09/67/11/579096711.db2.gz	PFROGKZGIHZWOX-UHFFFAOYSA-N	-1	0	349.412	0.947	20	10		ECCDRM
Cc1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c(O)c1O	ZINC000770485409	579168538	/nfs/dbraw/zinc/16/85/38/579168538.db2.gz	CLYXTONAWOXDBD-UHFFFAOYSA-N	-1	0	344.374	0.882	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000738164266	579609234	/nfs/dbraw/zinc/60/92/34/579609234.db2.gz	QRCVRHKAIZDAFS-SECBINFHSA-N	-1	0	342.373	0.701	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1	ZINC000738164267	579609263	/nfs/dbraw/zinc/60/92/63/579609263.db2.gz	QRCVRHKAIZDAFS-VIFPVBQESA-N	-1	0	342.373	0.701	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCNC(=O)[O-])cc2)C1	ZINC000739160147	579670633	/nfs/dbraw/zinc/67/06/33/579670633.db2.gz	MEGBBELIJUOONT-CYBMUJFWSA-N	-1	0	348.403	0.662	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CC[C@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1	ZINC000739625274	579698993	/nfs/dbraw/zinc/69/89/93/579698993.db2.gz	OENIXGJZDSOMEU-NSRYLSIASA-N	-1	0	346.299	0.481	20	10		ECCDRM
O=C([O-])CN(CC(=O)N1CCNC1=O)Cc1cc(Cl)ccc1O	ZINC000739783679	579712499	/nfs/dbraw/zinc/71/24/99/579712499.db2.gz	JBVQPRVIEXWTJB-UHFFFAOYSA-N	-1	0	341.751	0.484	20	10		ECCDRM
CN(C)S(=O)(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893924499	586367158	/nfs/dbraw/zinc/36/71/58/586367158.db2.gz	LUIPJRWPLFYJCQ-UHFFFAOYSA-N	-1	0	335.376	0.594	20	10		ECCDRM
COc1ccc(N2CCCN(C(=O)C(=O)NCCC(=O)[O-])CC2)cc1	ZINC000817115397	587333749	/nfs/dbraw/zinc/33/37/49/587333749.db2.gz	PZCZZMSTYNVHBR-UHFFFAOYSA-N	-1	0	349.387	0.325	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000817114664	587333818	/nfs/dbraw/zinc/33/38/18/587333818.db2.gz	JSOWKINSVOXRJM-ZDUSSCGKSA-N	-1	0	333.388	0.610	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1	ZINC000817890833	587390755	/nfs/dbraw/zinc/39/07/55/587390755.db2.gz	ZZXVBVOHYFSFRO-CYBMUJFWSA-N	-1	0	333.388	0.644	20	10		ECCDRM
COC[C@](C)(O)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828895909	588208294	/nfs/dbraw/zinc/20/82/94/588208294.db2.gz	DLOSKAXNQQDNRM-CJNGLKHVSA-N	-1	0	339.392	0.575	20	10		ECCDRM
COc1ccc(O)c(CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1	ZINC000833733862	588563609	/nfs/dbraw/zinc/56/36/09/588563609.db2.gz	UBQFTPWGDVUNNV-UHFFFAOYSA-N	-1	0	340.357	0.916	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(CC(=O)[O-])CCC2)c1	ZINC000833738228	588563937	/nfs/dbraw/zinc/56/39/37/588563937.db2.gz	UPCMJGDNCLPRRZ-UHFFFAOYSA-N	-1	0	342.373	0.891	20	10		ECCDRM
CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000848607311	589303243	/nfs/dbraw/zinc/30/32/43/589303243.db2.gz	XIFJRDXMKDMFLD-AWEZNQCLSA-N	-1	0	335.404	0.842	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1n[n-]c(=O)o1)cc2=O	ZINC000852188816	589449003	/nfs/dbraw/zinc/44/90/03/589449003.db2.gz	OCSJHHWOCJAREV-UHFFFAOYSA-N	-1	0	348.319	0.332	20	10		ECCDRM
COc1ccc(N2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1	ZINC000852726800	589507810	/nfs/dbraw/zinc/50/78/10/589507810.db2.gz	ZBUFUVCMNBOLQG-HNNXBMFYSA-N	-1	0	333.388	0.503	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@](C)(OC)C(=O)[O-])CC2)cc1F	ZINC000852951532	589527845	/nfs/dbraw/zinc/52/78/45/589527845.db2.gz	QIDCCHMGCIBLLV-INIZCTEOSA-N	-1	0	340.351	0.973	20	10		ECCDRM
CCn1ncnc1CNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000853007728	589529194	/nfs/dbraw/zinc/52/91/94/589529194.db2.gz	CZKACCWWWHJCSA-UHFFFAOYSA-N	-1	0	347.375	0.514	20	10		ECCDRM
CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCNC(=O)C2)c1	ZINC000915809228	609922927	/nfs/dbraw/zinc/92/29/27/609922927.db2.gz	OYHVAUPHEWGQPR-UHFFFAOYSA-N	-1	0	347.415	0.359	20	10		ECCDRM
Cn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1C(N)=O	ZINC000320765922	749042690	/nfs/dbraw/zinc/04/26/90/749042690.db2.gz	GQPKMCAXDGQHPB-UHFFFAOYSA-N	-1	0	339.329	0.329	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1	ZINC000298843655	202368851	/nfs/dbraw/zinc/36/88/51/202368851.db2.gz	HJQNLMSRLIUNOG-UHFFFAOYSA-N	-1	0	344.418	0.983	20	10		ECCDRM
O=C(NCc1ccc(N2CCSCC2)cc1)c1n[nH]c(=O)[n-]c1=O	ZINC000765471984	579067096	/nfs/dbraw/zinc/06/70/96/579067096.db2.gz	LVZITQAOXPCODA-UHFFFAOYSA-N	-1	0	347.400	0.766	20	10		ECCDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc(O)c2O)s1	ZINC000776633076	579286793	/nfs/dbraw/zinc/28/67/93/579286793.db2.gz	UYZSSGMVRLLJSM-UHFFFAOYSA-N	-1	0	330.347	0.573	20	10		ECCDRM
COc1ccc(N2CCN(S(=O)(=O)C[C@@H](C)C(=O)[O-])CC2)cc1	ZINC000020184805	586168087	/nfs/dbraw/zinc/16/80/87/586168087.db2.gz	ICIJKOGTUQFIEC-GFCCVEGCSA-N	-1	0	342.417	0.868	20	10		ECCDRM
O=C(CO)N1CCN(Cc2cc(Br)cc(F)c2[O-])CC1	ZINC000894685866	586406643	/nfs/dbraw/zinc/40/66/43/586406643.db2.gz	RENIPMKINTXZEQ-UHFFFAOYSA-N	-1	0	347.184	0.930	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cc1F	ZINC000817107169	587332926	/nfs/dbraw/zinc/33/29/26/587332926.db2.gz	OJVIWXIHWOTIPS-UHFFFAOYSA-N	-1	0	325.340	0.441	20	10		ECCDRM
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000817887934	587390886	/nfs/dbraw/zinc/39/08/86/587390886.db2.gz	HIJDSXVCYXTZAD-JSGCOSHPSA-N	-1	0	347.415	0.938	20	10		ECCDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	ZINC000817896603	587391070	/nfs/dbraw/zinc/39/10/70/587391070.db2.gz	LTZMDMNZKYQDPR-DGCLKSJQSA-N	-1	0	334.372	0.920	20	10		ECCDRM
CC(C)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000820041369	587505069	/nfs/dbraw/zinc/50/50/69/587505069.db2.gz	FEOFPYPIOSAGQA-LLVKDONJSA-N	-1	0	330.362	0.603	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000828073859	588156699	/nfs/dbraw/zinc/15/66/99/588156699.db2.gz	QJVPPLVMDGOIJS-AWEZNQCLSA-N	-1	0	335.360	0.857	20	10		ECCDRM
COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1	ZINC000833734005	588563589	/nfs/dbraw/zinc/56/35/89/588563589.db2.gz	YSFKXPGAKQZATJ-UHFFFAOYSA-N	-1	0	338.341	0.973	20	10		ECCDRM
CN(CC1(O)CCS(=O)(=O)CC1)c1ccc(OCC(=O)[O-])cc1	ZINC000846279966	589195118	/nfs/dbraw/zinc/19/51/18/589195118.db2.gz	RHQWSPIEAJKSRK-UHFFFAOYSA-N	-1	0	343.401	0.526	20	10		ECCDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000848609495	589303525	/nfs/dbraw/zinc/30/35/25/589303525.db2.gz	FGFLJBZYJNEDES-LBPRGKRZSA-N	-1	0	331.372	0.516	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ncccn2)cc1	ZINC000853010679	589529161	/nfs/dbraw/zinc/52/91/61/589529161.db2.gz	JFRPDVMZAKIFGN-UHFFFAOYSA-N	-1	0	330.344	0.693	20	10		ECCDRM
COc1ccc(N2CCC(NC(=O)CCc3nnn[n-]3)CC2)cc1	ZINC000865116065	590125855	/nfs/dbraw/zinc/12/58/55/590125855.db2.gz	ROQJOMNMSZMPRM-UHFFFAOYSA-N	-1	0	330.392	0.926	20	10		ECCDRM
CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000927954896	611663914	/nfs/dbraw/zinc/66/39/14/611663914.db2.gz	AYGVQMNWIMHJDD-CYBMUJFWSA-N	-1	0	335.404	0.938	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)C1	ZINC000918370733	610004750	/nfs/dbraw/zinc/00/47/50/610004750.db2.gz	BDRBZVLYEQXJNY-NSHDSACASA-N	-1	0	344.375	0.142	20	10		ECCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000842572145	611315644	/nfs/dbraw/zinc/31/56/44/611315644.db2.gz	CDCFVDNSQDXQBC-WCQYABFASA-N	-1	0	333.388	0.725	20	10		ECCDRM
O=S1(=O)CC[C@@H](N2CCN(Cc3cc(F)ccc3O)CC2)C1	ZINC000179889147	437274972	/nfs/dbraw/zinc/27/49/72/437274972.db2.gz	AQEPWXRNSKCXFK-CQSZACIVSA-N	-1	0	328.409	0.836	20	10		ECCDRM
COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776432750	579281517	/nfs/dbraw/zinc/28/15/17/579281517.db2.gz	AHQHHFHDEBPHGZ-UHFFFAOYSA-N	-1	0	332.334	0.242	20	10		ECCDRM
NS(=O)(=O)[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739191957	579674456	/nfs/dbraw/zinc/67/44/56/579674456.db2.gz	JOBNSGJFTNCRLE-YWNRKNDBSA-N	-1	0	341.345	0.560	20	10		ECCDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000803662998	587065337	/nfs/dbraw/zinc/06/53/37/587065337.db2.gz	QJOVXQNFQBISAW-UHFFFAOYSA-N	-1	0	327.356	0.592	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)[N-]OC1CCOCC1	ZINC000807101543	587118965	/nfs/dbraw/zinc/11/89/65/587118965.db2.gz	AAEPWSXZTXPSDM-UHFFFAOYSA-N	-1	0	335.404	0.904	20	10		ECCDRM
CC(=O)NCCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)C(=O)[O-]	ZINC000819744305	587488430	/nfs/dbraw/zinc/48/84/30/587488430.db2.gz	FQLGRKGHUGRHFH-RWCYGVJQSA-N	-1	0	336.344	0.549	20	10		ECCDRM
C[C@H](NC(N)=O)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825473087	587945107	/nfs/dbraw/zinc/94/51/07/587945107.db2.gz	NLZLFTWASQCWMO-JOYOIKCWSA-N	-1	0	337.380	0.234	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CCNC(N)=O)NC(=O)[O-])cc1	ZINC000828063370	588155993	/nfs/dbraw/zinc/15/59/93/588155993.db2.gz	FAKGTEGWXDSXGJ-LBPRGKRZSA-N	-1	0	337.380	0.236	20	10		ECCDRM
O=C([O-])C1CCN(C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000833095067	588521285	/nfs/dbraw/zinc/52/12/85/588521285.db2.gz	PEEUVJAWUXLVIC-DUXPYHPUSA-N	-1	0	349.339	0.977	20	10		ECCDRM
COc1ccc(O)c(CNS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1	ZINC000833733239	588563679	/nfs/dbraw/zinc/56/36/79/588563679.db2.gz	DPJHYWNPSWSODJ-UHFFFAOYSA-N	-1	0	326.330	0.906	20	10		ECCDRM
C[C@H](NC(=O)[O-])C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000833740413	588564119	/nfs/dbraw/zinc/56/41/19/588564119.db2.gz	KFPCBRCMTSDVAL-NSHDSACASA-N	-1	0	337.376	0.910	20	10		ECCDRM
NC(=O)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000833982276	588583759	/nfs/dbraw/zinc/58/37/59/588583759.db2.gz	KGCJNWZBXYLZIB-AWEZNQCLSA-N	-1	0	348.403	0.805	20	10		ECCDRM
C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(=O)[O-]	ZINC000848608076	589303145	/nfs/dbraw/zinc/30/31/45/589303145.db2.gz	PRLHMDOWBKYJRY-LBPRGKRZSA-N	-1	0	333.388	0.740	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C(=O)[O-]	ZINC000868342390	589893976	/nfs/dbraw/zinc/89/39/76/589893976.db2.gz	IBVSPPJQUVYQBW-PWSUYJOCSA-N	-1	0	332.356	0.804	20	10		ECCDRM
CO[N-]C(=O)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O	ZINC000925253212	611463569	/nfs/dbraw/zinc/46/35/69/611463569.db2.gz	DOBYHKNRQFPJEG-UHFFFAOYSA-N	-1	0	327.724	0.487	20	10		ECCDRM
O=C([O-])c1cc(NS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1O	ZINC000274872935	254541756	/nfs/dbraw/zinc/54/17/56/254541756.db2.gz	BARJFAOSHSTGRC-UHFFFAOYSA-N	-1	0	349.386	0.409	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000275076265	436919120	/nfs/dbraw/zinc/91/91/20/436919120.db2.gz	CLDKIMOSPUFOQA-UHFFFAOYSA-N	-1	0	335.389	0.682	20	10		ECCDRM
CCS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	ZINC000732607101	578327945	/nfs/dbraw/zinc/32/79/45/578327945.db2.gz	MCHSMGGYJWDZHC-UHFFFAOYSA-N	-1	0	338.410	0.982	20	10		ECCDRM
O=C(Nc1ccn(CCN2CCOCC2)n1)c1cccc(O)c1O	ZINC000790667533	578877603	/nfs/dbraw/zinc/87/76/03/578877603.db2.gz	BUJJNSXLERZHLZ-UHFFFAOYSA-N	-1	0	332.360	0.879	20	10		ECCDRM
NC(=O)COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1	ZINC000765041271	579060826	/nfs/dbraw/zinc/06/08/26/579060826.db2.gz	MWONEGHGJJHCOK-UHFFFAOYSA-N	-1	0	348.340	0.888	20	10		ECCDRM
COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000776435050	579281506	/nfs/dbraw/zinc/28/15/06/579281506.db2.gz	XCWDCHDWRCEPHB-UHFFFAOYSA-N	-1	0	332.334	0.242	20	10		ECCDRM
CC1=CC(NC(=O)c2ccc(S(C)(=O)=O)o2)=S=C1C(=O)[O-]	ZINC000738239310	579613439	/nfs/dbraw/zinc/61/34/39/579613439.db2.gz	HFGFOVVMLOWPQQ-UHFFFAOYSA-N	-1	0	329.355	0.493	20	10		ECCDRM
O=C([O-])N1CCOC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740451420	579748213	/nfs/dbraw/zinc/74/82/13/579748213.db2.gz	SEWBVSCKFVRBAR-HNNXBMFYSA-N	-1	0	349.387	0.518	20	10		ECCDRM
COCCNC(=O)CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893910583	586365977	/nfs/dbraw/zinc/36/59/77/586365977.db2.gz	MDOANIUYLQAGTN-UHFFFAOYSA-N	-1	0	343.374	0.551	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cn(C)cn2)cc1	ZINC000899853271	586508992	/nfs/dbraw/zinc/50/89/92/586508992.db2.gz	SJSPTYYMVJVASF-UHFFFAOYSA-N	-1	0	332.360	0.636	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1F	ZINC000817106392	587332792	/nfs/dbraw/zinc/33/27/92/587332792.db2.gz	HZAROOMDJPEULX-NSHDSACASA-N	-1	0	337.351	0.441	20	10		ECCDRM
C[C@@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113209	587333541	/nfs/dbraw/zinc/33/35/41/587333541.db2.gz	ACASPMMCNCDOKG-YPMHNXCESA-N	-1	0	333.388	0.863	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1	ZINC000817890834	587390857	/nfs/dbraw/zinc/39/08/57/587390857.db2.gz	ZZXVBVOHYFSFRO-ZDUSSCGKSA-N	-1	0	333.388	0.644	20	10		ECCDRM
COc1ccc(O)c([C@H](C)NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000826210245	588010391	/nfs/dbraw/zinc/01/03/91/588010391.db2.gz	JZOIUODKFUDQJX-QMMMGPOBSA-N	-1	0	344.335	0.050	20	10		ECCDRM
COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828625269	588194174	/nfs/dbraw/zinc/19/41/74/588194174.db2.gz	XYFXPIJYDONXSO-BFHYXJOUSA-N	-1	0	349.387	0.987	20	10		ECCDRM
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](C(=O)[O-])CC1=O	ZINC000833695332	588559477	/nfs/dbraw/zinc/55/94/77/588559477.db2.gz	LWEPWIHFSFMALF-HNNXBMFYSA-N	-1	0	347.415	0.846	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN[C@@]2(C(=O)[O-])CCOC2)cc1	ZINC000833695572	588559617	/nfs/dbraw/zinc/55/96/17/588559617.db2.gz	SCXOMMXXPIXJST-KRWDZBQOSA-N	-1	0	335.404	0.544	20	10		ECCDRM
CCNC(=O)CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000833859930	588572866	/nfs/dbraw/zinc/57/28/66/588572866.db2.gz	JWYVLEJEDZALSS-ZDUSSCGKSA-N	-1	0	336.392	0.704	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(=O)[O-])CC3)cc2)C1	ZINC000844250994	589105237	/nfs/dbraw/zinc/10/52/37/589105237.db2.gz	UYKZCWDQYWQPCG-CYBMUJFWSA-N	-1	0	345.399	0.869	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])C2)cc1	ZINC000851684071	589413149	/nfs/dbraw/zinc/41/31/49/589413149.db2.gz	WGVOJRGCGUVPMW-NEPJUHHUSA-N	-1	0	349.387	0.227	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cncn2C)cc1	ZINC000853007477	589529248	/nfs/dbraw/zinc/52/92/48/589529248.db2.gz	ATWQPUYPFVJWPD-UHFFFAOYSA-N	-1	0	332.360	0.636	20	10		ECCDRM
O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)c1ncc[n-]1	ZINC000866543658	589749013	/nfs/dbraw/zinc/74/90/13/589749013.db2.gz	TUFRTBANSFMRQN-UHFFFAOYSA-N	-1	0	340.380	0.864	20	10		ECCDRM
CS(=O)(=O)NC1CN(Cc2cccc(Br)c2[O-])C1	ZINC000862486011	589941960	/nfs/dbraw/zinc/94/19/60/589941960.db2.gz	TVMDMCDGMMEEAF-UHFFFAOYSA-N	-1	0	335.223	0.888	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)Cn3cc(C(=O)[O-])cn3)CC2)cc1	ZINC000911094083	609803167	/nfs/dbraw/zinc/80/31/67/609803167.db2.gz	IGKLMQOGWICXHC-UHFFFAOYSA-N	-1	0	344.371	0.939	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CN(C)[C@@H](C)C(=O)[O-])CC2)cc1	ZINC000269306694	436656592	/nfs/dbraw/zinc/65/65/92/436656592.db2.gz	ULNHVAQYDHDKIW-ZDUSSCGKSA-N	-1	0	335.404	0.749	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)c3cnc([O-])n(C)c3=O)ccc21	ZINC000267651340	437329301	/nfs/dbraw/zinc/32/93/01/437329301.db2.gz	ROFDCSWQCXPWDT-UHFFFAOYSA-N	-1	0	328.372	0.798	20	10		ECCDRM
COc1c(O)c(CN2CCn3c(nn(C)c3=O)C2)ccc1[N+](=O)[O-]	ZINC000373209170	438136923	/nfs/dbraw/zinc/13/69/23/438136923.db2.gz	VMCOLOIGNYJZFG-UHFFFAOYSA-N	-1	0	335.320	0.220	20	10		ECCDRM
COc1ccc(O)c([C@@H](C)NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000730591249	578307901	/nfs/dbraw/zinc/30/79/01/578307901.db2.gz	VVYYAQJPWAGGOH-SECBINFHSA-N	-1	0	343.343	0.663	20	10		ECCDRM
O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(=O)[nH][n-]1	ZINC000732273333	578322214	/nfs/dbraw/zinc/32/22/14/578322214.db2.gz	QRSCFOVBIZZXJW-UHFFFAOYSA-N	-1	0	330.388	0.387	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000737475966	578498892	/nfs/dbraw/zinc/49/88/92/578498892.db2.gz	DXXOLBBIHQFQBY-KGLIPLIRSA-N	-1	0	334.372	0.975	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](C(=O)[O-])C2)cc1	ZINC000737476641	578498970	/nfs/dbraw/zinc/49/89/70/578498970.db2.gz	LZYPKWZYFHTFIA-HNNXBMFYSA-N	-1	0	335.404	0.496	20	10		ECCDRM
O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1c(F)ccc(O)c1[O-]	ZINC000789957893	578863972	/nfs/dbraw/zinc/86/39/72/578863972.db2.gz	ZABFMIIGXOZVFE-UHFFFAOYSA-N	-1	0	346.318	0.820	20	10		ECCDRM
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000790404657	578873355	/nfs/dbraw/zinc/87/33/55/578873355.db2.gz	GKSYYTMMMYIOJB-UHFFFAOYSA-N	-1	0	335.407	0.053	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1	ZINC000738021939	579595437	/nfs/dbraw/zinc/59/54/37/579595437.db2.gz	KGLIJHOTIOTULU-JKSUJKDBSA-N	-1	0	347.415	0.654	20	10		ECCDRM
COC(=O)CCNC(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739759390	579710935	/nfs/dbraw/zinc/71/09/35/579710935.db2.gz	FBHVZNAUOHDMBI-UHFFFAOYSA-N	-1	0	349.387	0.886	20	10		ECCDRM
O=C([O-])NCCOCC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740665423	579758500	/nfs/dbraw/zinc/75/85/00/579758500.db2.gz	WKJSPVLKEBXGIC-UHFFFAOYSA-N	-1	0	337.376	0.424	20	10		ECCDRM
CCOCCO[N-]C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000803686526	587067143	/nfs/dbraw/zinc/06/71/43/587067143.db2.gz	CDBARYAOHYGBFT-UHFFFAOYSA-N	-1	0	335.404	0.770	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1	ZINC000817109795	587333106	/nfs/dbraw/zinc/33/31/06/587333106.db2.gz	KKALOEZNFRLKCX-QGZVFWFLSA-N	-1	0	333.388	0.692	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CCc2nnc[nH]2)NC(=O)[O-])cc1	ZINC000828064570	588156237	/nfs/dbraw/zinc/15/62/37/588156237.db2.gz	SZEZYLMYXPGOFE-ZDUSSCGKSA-N	-1	0	346.391	0.928	20	10		ECCDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCCCSc1nccs1	ZINC000831681005	588441523	/nfs/dbraw/zinc/44/15/23/588441523.db2.gz	OEJPCUXRWBVSAK-DTWKUNHWSA-N	-1	0	331.419	0.855	20	10		ECCDRM
NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)N2	ZINC000833089235	588520668	/nfs/dbraw/zinc/52/06/68/588520668.db2.gz	NUIJBAPBLOTFBQ-KMKOMSMNSA-N	-1	0	333.325	0.853	20	10		ECCDRM
COc1ccc(O)c([C@H](C)NS(=O)(=O)N(C)CCC(=O)[O-])c1	ZINC000833733185	588563700	/nfs/dbraw/zinc/56/37/00/588563700.db2.gz	BPZKYNCTPPMGLK-VIFPVBQESA-N	-1	0	332.378	0.703	20	10		ECCDRM
C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(=O)n3ncc(C(=O)[O-])c3[nH]1)C2	ZINC000849344846	589326289	/nfs/dbraw/zinc/32/62/89/589326289.db2.gz	RBHNHMRZFHLJSB-IYBDPMFKSA-N	-1	0	332.360	0.992	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-]	ZINC000861712684	589877844	/nfs/dbraw/zinc/87/78/44/589877844.db2.gz	RQYHDLNEOBLDOQ-DOMZBBRYSA-N	-1	0	347.415	0.938	20	10		ECCDRM
O=S1(=O)CC[C@H](N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)C1	ZINC000876549129	590386040	/nfs/dbraw/zinc/38/60/40/590386040.db2.gz	HABHDDKHOAGGOB-LBPRGKRZSA-N	-1	0	346.399	0.975	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC(=O)[O-])cc2)C1	ZINC000842572979	611315530	/nfs/dbraw/zinc/31/55/30/611315530.db2.gz	OZQCREMDDORNBJ-CYBMUJFWSA-N	-1	0	333.388	0.869	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc([O-])n(C)c1=O	ZINC000267685730	289412554	/nfs/dbraw/zinc/41/25/54/289412554.db2.gz	XOMZXTNBJZFXCM-UHFFFAOYSA-N	-1	0	330.344	0.591	20	10		ECCDRM
O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCc1nc(=O)o[n-]1	ZINC000280195855	436870328	/nfs/dbraw/zinc/87/03/28/436870328.db2.gz	UVBYXQDUXLKRIZ-ZZXKWVIFSA-N	-1	0	344.371	0.572	20	10		ECCDRM
CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@@H]1O	ZINC000275812569	437016784	/nfs/dbraw/zinc/01/67/84/437016784.db2.gz	IZFNJEPARXNRNK-ZDUSSCGKSA-N	-1	0	342.417	0.997	20	10		ECCDRM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cn1	ZINC000794578754	578594130	/nfs/dbraw/zinc/59/41/30/578594130.db2.gz	MCPYSXURYXPLHJ-UHFFFAOYSA-N	-1	0	328.371	0.992	20	10		ECCDRM
CN(CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000739631103	579699290	/nfs/dbraw/zinc/69/92/90/579699290.db2.gz	IUMZBHZDPUDGEN-UHFFFAOYSA-N	-1	0	339.367	0.295	20	10		ECCDRM
O=S1(=O)NC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN21	ZINC000897279019	586293004	/nfs/dbraw/zinc/29/30/04/586293004.db2.gz	DVFDAILNLLAINI-QMMMGPOBSA-N	-1	0	335.788	0.519	20	10		ECCDRM
O=C1NC(=O)C2(CN(Cc3cc(Br)cc(F)c3[O-])C2)N1	ZINC000897900080	586379900	/nfs/dbraw/zinc/37/99/00/586379900.db2.gz	IDWDMCYLYHTPFL-UHFFFAOYSA-N	-1	0	344.140	0.688	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055800	588155604	/nfs/dbraw/zinc/15/56/04/588155604.db2.gz	KFIUDNUFRQCJCL-JSGCOSHPSA-N	-1	0	348.403	0.704	20	10		ECCDRM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C(=O)[O-]	ZINC000828385181	588175698	/nfs/dbraw/zinc/17/56/98/588175698.db2.gz	GPDMEURVAWMXCD-KCJUWKMLSA-N	-1	0	342.373	0.556	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000830830764	588388178	/nfs/dbraw/zinc/38/81/78/588388178.db2.gz	MWKMQSDAZOSCFL-INIZCTEOSA-N	-1	0	349.431	0.887	20	10		ECCDRM
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC(=O)N1	ZINC000831706779	588443058	/nfs/dbraw/zinc/44/30/58/588443058.db2.gz	LFFRARFTSZLWPL-JTQLQIEISA-N	-1	0	326.736	0.436	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1	ZINC000853342908	589541431	/nfs/dbraw/zinc/54/14/31/589541431.db2.gz	SAFCKYKISNMYHC-HNNXBMFYSA-N	-1	0	347.415	0.986	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C(=O)[O-]	ZINC000863749145	590033591	/nfs/dbraw/zinc/03/35/91/590033591.db2.gz	WYUVNIGNBXYVHG-AAEUAGOBSA-N	-1	0	334.372	0.920	20	10		ECCDRM
CC[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(=O)[O-]	ZINC000927942682	611662106	/nfs/dbraw/zinc/66/21/06/611662106.db2.gz	GRSDRUPUXMEATJ-GFCCVEGCSA-N	-1	0	335.404	0.904	20	10		ECCDRM
C[C@H](C(=O)[O-])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000842571130	611315563	/nfs/dbraw/zinc/31/55/63/611315563.db2.gz	RPVGRERQHUEOQY-NSHDSACASA-N	-1	0	340.401	0.258	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1	ZINC000263829686	436991959	/nfs/dbraw/zinc/99/19/59/436991959.db2.gz	ANXJSJIILAMCOV-UHFFFAOYSA-N	-1	0	344.418	0.983	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1C[C@H]1C(=O)[O-])cc2=O	ZINC000737154640	578482163	/nfs/dbraw/zinc/48/21/63/578482163.db2.gz	GDWAUKRNXVVJTC-BDAKNGLRSA-N	-1	0	349.299	0.376	20	10		ECCDRM
COCCN(CC(=O)[O-])CC(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000771202820	579186524	/nfs/dbraw/zinc/18/65/24/579186524.db2.gz	AZDHDDWRBLXSNC-UHFFFAOYSA-N	-1	0	337.420	0.744	20	10		ECCDRM
CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)C1=CC(=O)CS1	ZINC000739621085	579698670	/nfs/dbraw/zinc/69/86/70/579698670.db2.gz	VHMHCDVWGOBNNG-UHFFFAOYSA-N	-1	0	327.362	0.348	20	10		ECCDRM
NS(=O)(=O)CCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000740341609	579740327	/nfs/dbraw/zinc/74/03/27/579740327.db2.gz	LELWJBBWBBODHC-UHFFFAOYSA-N	-1	0	327.406	0.885	20	10		ECCDRM
O=C1NC(=O)C2(CN(Cc3ccc(N4CCOCC4)c(F)c3)C2)N1	ZINC000897907029	586381300	/nfs/dbraw/zinc/38/13/00/586381300.db2.gz	JZXRUFFBLJTMCF-UHFFFAOYSA-N	-1	0	334.351	0.056	20	10		ECCDRM
C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113202	587333556	/nfs/dbraw/zinc/33/35/56/587333556.db2.gz	ACASPMMCNCDOKG-AAEUAGOBSA-N	-1	0	333.388	0.863	20	10		ECCDRM
C[C@@H](CN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000817116726	587334057	/nfs/dbraw/zinc/33/40/57/587334057.db2.gz	ZAIKJMDPIGKCJR-ZDUSSCGKSA-N	-1	0	345.399	0.858	20	10		ECCDRM
C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H]1C(=O)[O-]	ZINC000828385179	588175710	/nfs/dbraw/zinc/17/57/10/588175710.db2.gz	GPDMEURVAWMXCD-GZMMTYOYSA-N	-1	0	342.373	0.556	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2Cc3cncn3C2)c1	ZINC000857890592	589715760	/nfs/dbraw/zinc/71/57/60/589715760.db2.gz	XTPOFGUVANUQLN-JTQLQIEISA-N	-1	0	336.373	0.315	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)cc1F	ZINC000866459172	589743368	/nfs/dbraw/zinc/74/33/68/589743368.db2.gz	INGOOLKCSWIIEN-UHFFFAOYSA-N	-1	0	334.355	0.629	20	10		ECCDRM
Cc1c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cnn1C	ZINC000291931338	437641698	/nfs/dbraw/zinc/64/16/98/437641698.db2.gz	OOCNBNMPNNVNHQ-UHFFFAOYSA-N	-1	0	344.418	0.901	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000737476146	578498985	/nfs/dbraw/zinc/49/89/85/578498985.db2.gz	DXXOLBBIHQFQBY-UONOGXRCSA-N	-1	0	334.372	0.975	20	10		ECCDRM
CC1=CC(NC(=O)c2ccc(CS(C)(=O)=O)o2)=S=C1C(=O)[O-]	ZINC000738449255	579631564	/nfs/dbraw/zinc/63/15/64/579631564.db2.gz	XDZBNONDYRJJEO-UHFFFAOYSA-N	-1	0	343.382	0.634	20	10		ECCDRM
CCCN(Cc1ccccc1O)C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000739361108	579683194	/nfs/dbraw/zinc/68/31/94/579683194.db2.gz	YYQSCGIPSLPJFK-UHFFFAOYSA-N	-1	0	349.387	0.953	20	10		ECCDRM
NC(=O)[C@H]1CN(Cc2cc(Br)cc(F)c2[O-])CCO1	ZINC000893988169	586369563	/nfs/dbraw/zinc/36/95/63/586369563.db2.gz	ZSRPCOOBZZCZFG-SNVBAGLBSA-N	-1	0	333.157	0.980	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1	ZINC000817109794	587333221	/nfs/dbraw/zinc/33/32/21/587333221.db2.gz	KKALOEZNFRLKCX-KRWDZBQOSA-N	-1	0	333.388	0.692	20	10		ECCDRM
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NCCCSc1nccs1	ZINC000831681008	588441315	/nfs/dbraw/zinc/44/13/15/588441315.db2.gz	OEJPCUXRWBVSAK-RKDXNWHRSA-N	-1	0	331.419	0.855	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1	ZINC000832699513	588497858	/nfs/dbraw/zinc/49/78/58/588497858.db2.gz	JDHIZTNRZGHFIJ-CYBMUJFWSA-N	-1	0	346.336	0.403	20	10		ECCDRM
O=C([O-])N(CC(=O)NCCc1ccc(O)c(O)c1)C[C@H]1CCCO1	ZINC000834007700	588586472	/nfs/dbraw/zinc/58/64/72/588586472.db2.gz	WJKVDNFHUOFDGV-GFCCVEGCSA-N	-1	0	338.360	0.916	20	10		ECCDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000848607827	589303137	/nfs/dbraw/zinc/30/31/37/589303137.db2.gz	JXHCLIQKSCANAK-SECBINFHSA-N	-1	0	325.340	0.345	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)cc1	ZINC000851684075	589413033	/nfs/dbraw/zinc/41/30/33/589413033.db2.gz	WGVOJRGCGUVPMW-RYUDHWBXSA-N	-1	0	349.387	0.227	20	10		ECCDRM
O=C([O-])C1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1	ZINC000857101481	589686399	/nfs/dbraw/zinc/68/63/99/589686399.db2.gz	YRKVOXAWDCCFQF-UHFFFAOYSA-N	-1	0	333.388	0.874	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C(=O)[O-]	ZINC000868345237	589894370	/nfs/dbraw/zinc/89/43/70/589894370.db2.gz	DJQLPFJNMCOFNB-JQWIXIFHSA-N	-1	0	332.356	0.804	20	10		ECCDRM
CN1CCO[C@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911359963	609856516	/nfs/dbraw/zinc/85/65/16/609856516.db2.gz	IXXRXCQOAIXRIC-ZDUSSCGKSA-N	-1	0	342.779	0.789	20	10		ECCDRM
CC(=O)N1CSC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O	ZINC000911487428	609882504	/nfs/dbraw/zinc/88/25/04/609882504.db2.gz	UABWMRNJJBEXTR-GFCCVEGCSA-N	-1	0	338.385	0.727	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC(=O)[O-])cc2)C1	ZINC000842572980	611315414	/nfs/dbraw/zinc/31/54/14/611315414.db2.gz	OZQCREMDDORNBJ-ZDUSSCGKSA-N	-1	0	333.388	0.869	20	10		ECCDRM
COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cccc(Cl)c1[O-]	ZINC000276722234	437153121	/nfs/dbraw/zinc/15/31/21/437153121.db2.gz	FSNORIPXIZMODN-LLVKDONJSA-N	-1	0	333.793	0.818	20	10		ECCDRM
C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737746711	578522516	/nfs/dbraw/zinc/52/25/16/578522516.db2.gz	YFIPRLTYBGICRA-OIFKANJSSA-N	-1	0	338.389	0.474	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1	ZINC000797430945	578633854	/nfs/dbraw/zinc/63/38/54/578633854.db2.gz	CSBFHWDKVYIASQ-UHFFFAOYSA-N	-1	0	331.379	0.087	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)C1	ZINC000739160855	579670795	/nfs/dbraw/zinc/67/07/95/579670795.db2.gz	PFQJOGTWVNHWER-BPLDGKMQSA-N	-1	0	345.399	0.725	20	10		ECCDRM
CCN(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000739435697	579686972	/nfs/dbraw/zinc/68/69/72/579686972.db2.gz	QZZOWGSUDCPWDL-UHFFFAOYSA-N	-1	0	345.377	0.493	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](NC(=O)[O-])C2)c1	ZINC000740000834	579726649	/nfs/dbraw/zinc/72/66/49/579726649.db2.gz	LMWSXQDDDZKPDT-VIFPVBQESA-N	-1	0	343.361	0.246	20	10		ECCDRM
COC(=O)CNC(=O)[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000895026427	586425787	/nfs/dbraw/zinc/42/57/87/586425787.db2.gz	WIHOEBRVRINEBM-GFCCVEGCSA-N	-1	0	328.315	0.924	20	10		ECCDRM
CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823567238	587730788	/nfs/dbraw/zinc/73/07/88/587730788.db2.gz	GBYMKLKXTJIZSJ-QMTHXVAHSA-N	-1	0	336.392	0.702	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055045	588155714	/nfs/dbraw/zinc/15/57/14/588155714.db2.gz	BWROZUCIBVKPLB-DGCLKSJQSA-N	-1	0	334.376	0.314	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)CS(C)(=O)=O)NC(=O)[O-])cc1	ZINC000828064320	588155948	/nfs/dbraw/zinc/15/59/48/588155948.db2.gz	OIVURBGSDXYBQB-GFCCVEGCSA-N	-1	0	343.405	0.222	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNS(=O)(=O)N(C)CCC(=O)[O-]	ZINC000832889395	588509289	/nfs/dbraw/zinc/50/92/89/588509289.db2.gz	RZMAYTBYGXBYKM-UHFFFAOYSA-N	-1	0	329.422	0.802	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)COCC(=O)[O-])CC2)cc1F	ZINC000844251129	589105260	/nfs/dbraw/zinc/10/52/60/589105260.db2.gz	DEVLOGOULIMQDM-UHFFFAOYSA-N	-1	0	326.324	0.584	20	10		ECCDRM
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-]	ZINC000848608414	589303282	/nfs/dbraw/zinc/30/32/82/589303282.db2.gz	FVBJJNVMVGIUQX-LBPRGKRZSA-N	-1	0	335.404	0.938	20	10		ECCDRM
COc1ccc(O)c(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1	ZINC000859008979	589791938	/nfs/dbraw/zinc/79/19/38/589791938.db2.gz	WTURRKUBUKFTRM-UHFFFAOYSA-N	-1	0	342.333	0.521	20	10		ECCDRM
CC[S@](=O)CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872929953	590175530	/nfs/dbraw/zinc/17/55/30/590175530.db2.gz	QHFNYQPOLZMONG-QHCPKHFHSA-N	-1	0	342.417	0.471	20	10		ECCDRM
CN(C)c1ccc(CN(C)S(=O)(=O)N(C)CCC(=O)[O-])cc1	ZINC000316512138	600990733	/nfs/dbraw/zinc/99/07/33/600990733.db2.gz	TXPVECNOFFJRLT-UHFFFAOYSA-N	-1	0	329.422	0.836	20	10		ECCDRM
NC(=O)CN1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000179835153	609912430	/nfs/dbraw/zinc/91/24/30/609912430.db2.gz	FCKQDTHJFAYEKV-UHFFFAOYSA-N	-1	0	328.210	0.758	20	10		ECCDRM
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1	ZINC000912530216	609965798	/nfs/dbraw/zinc/96/57/98/609965798.db2.gz	BOHCOJGGVYWYKX-UHFFFAOYSA-N	-1	0	327.318	0.711	20	10		ECCDRM
O=C([O-])COCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000322581639	754305133	/nfs/dbraw/zinc/30/51/33/754305133.db2.gz	HTZCUVYOOKQENY-UHFFFAOYSA-N	-1	0	326.324	0.380	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000740002634	579726872	/nfs/dbraw/zinc/72/68/72/579726872.db2.gz	PLEFMGQXXDXKDM-UHFFFAOYSA-N	-1	0	342.373	0.701	20	10		ECCDRM
CC(C)NC(=O)C(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893915017	586366706	/nfs/dbraw/zinc/36/67/06/586366706.db2.gz	PLNHZLRATZTBGU-UHFFFAOYSA-N	-1	0	341.358	0.839	20	10		ECCDRM
C[C@H](CN(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000817106783	587332971	/nfs/dbraw/zinc/33/29/71/587332971.db2.gz	LOZOBUPETPUZNN-SNVBAGLBSA-N	-1	0	339.367	0.687	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055048	588155800	/nfs/dbraw/zinc/15/58/00/588155800.db2.gz	BWROZUCIBVKPLB-YPMHNXCESA-N	-1	0	334.376	0.314	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CCn2ccnn2)NC(=O)[O-])cc1	ZINC000828063406	588156241	/nfs/dbraw/zinc/15/62/41/588156241.db2.gz	FUENZOHAKMZATC-AWEZNQCLSA-N	-1	0	346.391	0.859	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)C3(C(=O)[O-])CC3)cc2)CC1	ZINC000844241877	589104674	/nfs/dbraw/zinc/10/46/74/589104674.db2.gz	MASDSVJOAPUDRG-UHFFFAOYSA-N	-1	0	345.399	0.836	20	10		ECCDRM
COc1ccc(N(C)CCN(C)CCS(=O)(=O)CC(=O)[O-])cc1	ZINC000844839184	589123092	/nfs/dbraw/zinc/12/30/92/589123092.db2.gz	JUHFONGSBRRJQI-UHFFFAOYSA-N	-1	0	344.433	0.563	20	10		ECCDRM
O=C(CCCc1nnn[n-]1)NCc1ccc(N2CCOCC2)cc1	ZINC000874154916	590223122	/nfs/dbraw/zinc/22/31/22/590223122.db2.gz	LXMMINOGKPEQTL-UHFFFAOYSA-N	-1	0	330.392	0.675	20	10		ECCDRM
O=C1NC(=S)NC(=O)C1=CNc1ccc(N2CCOCC2)cc1	ZINC000920974545	609695942	/nfs/dbraw/zinc/69/59/42/609695942.db2.gz	PKPMJRBZNRHAOG-UHFFFAOYSA-N	-1	0	332.385	0.350	20	10		ECCDRM
O=C([O-])c1ccn(CC(=O)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000911208744	609825608	/nfs/dbraw/zinc/82/56/08/609825608.db2.gz	KGRJTLAZPFIQQK-UHFFFAOYSA-N	-1	0	344.371	0.734	20	10		ECCDRM
O=C([O-])C(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	ZINC000923248992	611219744	/nfs/dbraw/zinc/21/97/44/611219744.db2.gz	BRZINPBVLAVTET-UHFFFAOYSA-N	-1	0	333.388	0.252	20	10		ECCDRM
O=C([O-])c1cnc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1	ZINC000842554761	611314971	/nfs/dbraw/zinc/31/49/71/611314971.db2.gz	OSKVRXIATOVDSY-UHFFFAOYSA-N	-1	0	342.355	0.941	20	10		ECCDRM
C[C@@H](C(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000842572144	611315560	/nfs/dbraw/zinc/31/55/60/611315560.db2.gz	CDCFVDNSQDXQBC-DGCLKSJQSA-N	-1	0	333.388	0.725	20	10		ECCDRM
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1	ZINC000727356606	578158343	/nfs/dbraw/zinc/15/83/43/578158343.db2.gz	HZYVESFIRQTCGS-UHFFFAOYSA-N	-1	0	344.418	0.983	20	10		ECCDRM
Cc1ccc(C)n1-c1ccsc1C(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000766918329	579096677	/nfs/dbraw/zinc/09/66/77/579096677.db2.gz	XNROLIUXEITFNV-UHFFFAOYSA-N	-1	0	341.414	0.701	20	10		ECCDRM
CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2ccc(N)cc2)s1	ZINC000746411204	579838507	/nfs/dbraw/zinc/83/85/07/579838507.db2.gz	QXUKKJFEZDUNJM-UHFFFAOYSA-N	-1	0	327.391	0.673	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)NC(=O)[O-])cc1	ZINC000828451214	588180087	/nfs/dbraw/zinc/18/00/87/588180087.db2.gz	CURMKPPWVNJATJ-TZMCWYRMSA-N	-1	0	348.403	0.656	20	10		ECCDRM
COc1ccc(N2CCN([C@H](C)C(=O)NCC(=O)[O-])CC2)cc1F	ZINC000832383397	588481000	/nfs/dbraw/zinc/48/10/00/588481000.db2.gz	GSSAMBIYUMKJNQ-LLVKDONJSA-N	-1	0	339.367	0.546	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1	ZINC000832699340	588497843	/nfs/dbraw/zinc/49/78/43/588497843.db2.gz	GEOIGZDECODTHE-SNVBAGLBSA-N	-1	0	342.373	0.843	20	10		ECCDRM
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C(=O)[O-])C2)cc1	ZINC000851684073	589413031	/nfs/dbraw/zinc/41/30/31/589413031.db2.gz	WGVOJRGCGUVPMW-NWDGAFQWSA-N	-1	0	349.387	0.227	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@H]2CCCN(C)C2=O)cc1	ZINC000853005322	589529105	/nfs/dbraw/zinc/52/91/05/589529105.db2.gz	GZKGUWIWQIBGON-AWEZNQCLSA-N	-1	0	349.387	0.323	20	10		ECCDRM
COC(=O)CN(CCN1CCOCC1)Cc1ccc(F)c(F)c1[O-]	ZINC000876721439	590403185	/nfs/dbraw/zinc/40/31/85/590403185.db2.gz	VAWBDYOKXZYTID-UHFFFAOYSA-N	-1	0	344.358	0.978	20	10		ECCDRM
O=C([O-])c1cc(O)ccc1NS(=O)(=O)C1CCS(=O)(=O)CC1	ZINC000274991154	254541876	/nfs/dbraw/zinc/54/18/76/254541876.db2.gz	ZDBXOYZCTQDHDV-UHFFFAOYSA-N	-1	0	349.386	0.409	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F	ZINC000737377624	578494272	/nfs/dbraw/zinc/49/42/72/578494272.db2.gz	MRCXDQOMTDWHEB-ZDUSSCGKSA-N	-1	0	325.340	0.887	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])cc1F	ZINC000739618952	579698337	/nfs/dbraw/zinc/69/83/37/579698337.db2.gz	QWLORKVSYZLLSE-GXFFZTMASA-N	-1	0	325.340	0.621	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)CN(C)C(=O)[O-])cc1	ZINC000739631235	579699392	/nfs/dbraw/zinc/69/93/92/579699392.db2.gz	PKFOCQIWCRJDML-UHFFFAOYSA-N	-1	0	337.376	0.864	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000888323094	586768814	/nfs/dbraw/zinc/76/88/14/586768814.db2.gz	RTPOWCQNNQMMSW-NSHDSACASA-N	-1	0	331.380	0.524	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1	ZINC000888323092	586768968	/nfs/dbraw/zinc/76/89/68/586768968.db2.gz	RTPOWCQNNQMMSW-LLVKDONJSA-N	-1	0	331.380	0.524	20	10		ECCDRM
CCn1[n-]nnc1=NC(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000888343810	586772284	/nfs/dbraw/zinc/77/22/84/586772284.db2.gz	YCVVNSKFTIAEGB-UHFFFAOYSA-N	-1	0	347.448	0.990	20	10		ECCDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000817114181	587333747	/nfs/dbraw/zinc/33/37/47/587333747.db2.gz	HVDRVWUTOHSBIV-UHFFFAOYSA-N	-1	0	331.372	0.612	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)C[C@H](C)C(=O)[O-]	ZINC000817116333	587333943	/nfs/dbraw/zinc/33/39/43/587333943.db2.gz	SORRTIQPYSXTIW-LBPRGKRZSA-N	-1	0	335.404	0.856	20	10		ECCDRM
CC[C@H](C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000820449117	587534591	/nfs/dbraw/zinc/53/45/91/587534591.db2.gz	CLFZDUVDGPUKIH-UFBFGSQYSA-N	-1	0	344.389	0.993	20	10		ECCDRM
COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828625270	588194362	/nfs/dbraw/zinc/19/43/62/588194362.db2.gz	XYFXPIJYDONXSO-MCIONIFRSA-N	-1	0	349.387	0.987	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)NCCNC(=O)[O-])CC2)cc1F	ZINC000829424442	588324324	/nfs/dbraw/zinc/32/43/24/588324324.db2.gz	QHZVDTXUNWKRPW-UHFFFAOYSA-N	-1	0	340.355	0.934	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CN(CC(=O)[O-])C3CC3)CC2)cc1	ZINC000832384249	588481362	/nfs/dbraw/zinc/48/13/62/588481362.db2.gz	VZZAMCNEKHPQAH-UHFFFAOYSA-N	-1	0	347.415	0.893	20	10		ECCDRM
CC(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000833422236	588541114	/nfs/dbraw/zinc/54/11/14/588541114.db2.gz	BOUNVGRQTDOZER-LLVKDONJSA-N	-1	0	344.389	0.993	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C(=O)[O-]	ZINC000868345236	589894403	/nfs/dbraw/zinc/89/44/03/589894403.db2.gz	DJQLPFJNMCOFNB-CMPLNLGQSA-N	-1	0	332.356	0.804	20	10		ECCDRM
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1n[nH]c(=O)[n-]1	ZINC000919971770	609666885	/nfs/dbraw/zinc/66/68/85/609666885.db2.gz	WXVHQQCDTJPZPA-UHFFFAOYSA-N	-1	0	335.339	0.541	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000922951575	611186271	/nfs/dbraw/zinc/18/62/71/611186271.db2.gz	YKWPHDHYRZLUIB-GFCCVEGCSA-N	-1	0	336.392	0.498	20	10		ECCDRM
O=C1NC[C@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN2C1=O	ZINC000191437312	437653761	/nfs/dbraw/zinc/65/37/61/437653761.db2.gz	LNHCMQUGYWQQMN-QMMMGPOBSA-N	-1	0	327.743	0.327	20	10		ECCDRM
Cn1cnc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1	ZINC000751271667	579365166	/nfs/dbraw/zinc/36/51/66/579365166.db2.gz	XCAQIHXHPCDSKQ-UHFFFAOYSA-N	-1	0	330.391	0.592	20	10		ECCDRM
O=C(Nc1ccc(NC(=O)C2=S=CC=C2)cc1)c1cc(=O)[nH][n-]1	ZINC000731872992	578316522	/nfs/dbraw/zinc/31/65/22/578316522.db2.gz	VDQPQQBXTKSFKK-UHFFFAOYSA-N	-1	0	328.353	0.717	20	10		ECCDRM
O=C(NCCO)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000768921392	579134881	/nfs/dbraw/zinc/13/48/81/579134881.db2.gz	RDPYHNCKBJEQSR-UHFFFAOYSA-N	-1	0	342.398	0.977	20	10		ECCDRM
O=C([O-])[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	ZINC000738549442	579638393	/nfs/dbraw/zinc/63/83/93/579638393.db2.gz	WVVKDKYNSRBHDS-HNNXBMFYSA-N	-1	0	349.387	0.518	20	10		ECCDRM
NS(=O)(=O)[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739191951	579674506	/nfs/dbraw/zinc/67/45/06/579674506.db2.gz	JOBNSGJFTNCRLE-WUWIAWFRSA-N	-1	0	341.345	0.560	20	10		ECCDRM
CNC(=O)C1(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)CC1	ZINC000828526394	588187684	/nfs/dbraw/zinc/18/76/84/588187684.db2.gz	NLQQXMJYXJNYBP-CYBMUJFWSA-N	-1	0	348.403	0.704	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)COC3CN(C(=O)[O-])C3)CC2)cc1	ZINC000829423605	588324119	/nfs/dbraw/zinc/32/41/19/588324119.db2.gz	IAELXNKIZVFQGU-UHFFFAOYSA-N	-1	0	349.387	0.723	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN[C@]2(C(=O)[O-])CCOC2)cc1	ZINC000833695573	588559511	/nfs/dbraw/zinc/55/95/11/588559511.db2.gz	SCXOMMXXPIXJST-QGZVFWFLSA-N	-1	0	335.404	0.544	20	10		ECCDRM
CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	ZINC000857295211	589692513	/nfs/dbraw/zinc/69/25/13/589692513.db2.gz	NRTYDWRFUKXSPP-UHFFFAOYSA-N	-1	0	342.333	0.125	20	10		ECCDRM
O=C([O-])c1cnn(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1	ZINC000911210520	609826369	/nfs/dbraw/zinc/82/63/69/609826369.db2.gz	VJFBCUHBJMWQAE-UHFFFAOYSA-N	-1	0	344.371	0.734	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@H](C)C(=O)[O-])CC2)cc1	ZINC000842586849	611316038	/nfs/dbraw/zinc/31/60/38/611316038.db2.gz	YBBPPEQKQQNRCR-ZDUSSCGKSA-N	-1	0	335.404	0.654	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1C[C@@H]1C(=O)[O-])cc2=O	ZINC000737154641	578482127	/nfs/dbraw/zinc/48/21/27/578482127.db2.gz	GDWAUKRNXVVJTC-DTWKUNHWSA-N	-1	0	349.299	0.376	20	10		ECCDRM
C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000737746715	578522550	/nfs/dbraw/zinc/52/25/50/578522550.db2.gz	YFIPRLTYBGICRA-LVPZIMMTSA-N	-1	0	338.389	0.474	20	10		ECCDRM
COc1ccc(N2CCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC2)cc1	ZINC000765474525	579067210	/nfs/dbraw/zinc/06/72/10/579067210.db2.gz	RUDMSQYYMVYARK-UHFFFAOYSA-N	-1	0	345.359	0.644	20	10		ECCDRM
O=C([O-])NCc1ccc2c(c1)CCCN2C[C@H](O)CN1CCOCC1	ZINC000740674228	579758876	/nfs/dbraw/zinc/75/88/76/579758876.db2.gz	OBVNYQYAVUECLM-MRXNPFEDSA-N	-1	0	349.431	0.900	20	10		ECCDRM
O=C(NC1CC1)C(=O)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1	ZINC000893962659	586367699	/nfs/dbraw/zinc/36/76/99/586367699.db2.gz	QTVVZPBDXSQFLJ-UHFFFAOYSA-N	-1	0	339.342	0.593	20	10		ECCDRM
Cc1cc(C(=O)OCC(=O)NCC(=O)[O-])c(C)n1-c1ccccn1	ZINC000820963576	587565941	/nfs/dbraw/zinc/56/59/41/587565941.db2.gz	CZYOGJUJNOBXMB-UHFFFAOYSA-N	-1	0	331.328	0.847	20	10		ECCDRM
CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000828073861	588156831	/nfs/dbraw/zinc/15/68/31/588156831.db2.gz	QJVPPLVMDGOIJS-CQSZACIVSA-N	-1	0	335.360	0.857	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)CN(CC(=O)[O-])C2CCOCC2)cc1	ZINC000844241568	589104474	/nfs/dbraw/zinc/10/44/74/589104474.db2.gz	IGMDTNFMHHUOHE-UHFFFAOYSA-N	-1	0	349.431	0.934	20	10		ECCDRM
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C(=O)[O-])C1CCC1	ZINC000853351131	589541370	/nfs/dbraw/zinc/54/13/70/589541370.db2.gz	WHVBZOONNAETJE-ZDUSSCGKSA-N	-1	0	334.372	0.968	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2Cc3cncn3C2)c1	ZINC000857890596	589715719	/nfs/dbraw/zinc/71/57/19/589715719.db2.gz	XTPOFGUVANUQLN-SNVBAGLBSA-N	-1	0	336.373	0.315	20	10		ECCDRM
O=S(=O)(CC[NH2+]Cc1cc(F)cc(F)c1[O-])N1CCOCC1	ZINC000882985803	590600510	/nfs/dbraw/zinc/60/05/10/590600510.db2.gz	PSPWWGCGNUANGL-UHFFFAOYSA-N	-1	0	336.360	0.422	20	10		ECCDRM
Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000285065692	437076192	/nfs/dbraw/zinc/07/61/92/437076192.db2.gz	JRJGWRZIGQBIIE-UHFFFAOYSA-N	-1	0	344.418	0.901	20	10		ECCDRM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1[O-]	ZINC000179769170	437274636	/nfs/dbraw/zinc/27/46/36/437274636.db2.gz	GNNKJXCESXBABB-NSHDSACASA-N	-1	0	346.836	0.781	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F	ZINC000737377622	578494327	/nfs/dbraw/zinc/49/43/27/578494327.db2.gz	MRCXDQOMTDWHEB-CYBMUJFWSA-N	-1	0	325.340	0.887	20	10		ECCDRM
CN1C(=O)CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1=O	ZINC000895459367	586183789	/nfs/dbraw/zinc/18/37/89/586183789.db2.gz	RRIDBMADIKHCLE-SNVBAGLBSA-N	-1	0	325.752	0.992	20	10		ECCDRM
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(F)cc(F)c1[O-]	ZINC000893961045	586367737	/nfs/dbraw/zinc/36/77/37/586367737.db2.gz	CATUFVDMNUZTJW-NSHDSACASA-N	-1	0	348.371	0.406	20	10		ECCDRM
O=C([O-])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000817116086	587334103	/nfs/dbraw/zinc/33/41/03/587334103.db2.gz	QDUQBAVRBPQKIR-AWEZNQCLSA-N	-1	0	343.383	0.612	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NCCC(C)(C)C(=O)[O-])cc1	ZINC000818658680	587443889	/nfs/dbraw/zinc/44/38/89/587443889.db2.gz	YENMTLVEWTVNDO-UHFFFAOYSA-N	-1	0	335.404	0.986	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)N2)NC(=O)[O-])cc1	ZINC000828055212	588155796	/nfs/dbraw/zinc/15/57/96/588155796.db2.gz	FZKPUAIVYOTHSF-OLZOCXBDSA-N	-1	0	334.376	0.456	20	10		ECCDRM
O=C([O-])c1cn(CC(=O)NCc2c(O)ccc3c2CCCC3)nn1	ZINC000833120958	588522962	/nfs/dbraw/zinc/52/29/62/588522962.db2.gz	VRMVMCBWCIFWRT-UHFFFAOYSA-N	-1	0	330.344	0.877	20	10		ECCDRM
NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000833982825	588583838	/nfs/dbraw/zinc/58/38/38/588583838.db2.gz	NVMZFOOIGKXPNK-CYBMUJFWSA-N	-1	0	334.376	0.415	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@]2(C)CCC(=O)N2)cc1	ZINC000853010368	589529101	/nfs/dbraw/zinc/52/91/01/589529101.db2.gz	BBGZBSRNKMEWLG-KRWDZBQOSA-N	-1	0	349.387	0.371	20	10		ECCDRM
O=S(=O)(NCc1ccc(N2CCC(O)CC2)cc1)c1ncc[n-]1	ZINC000867532056	589800826	/nfs/dbraw/zinc/80/08/26/589800826.db2.gz	PFYZDEALCKCTHL-UHFFFAOYSA-N	-1	0	336.417	0.849	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C(=O)[O-]	ZINC000868342388	589893716	/nfs/dbraw/zinc/89/37/16/589893716.db2.gz	IBVSPPJQUVYQBW-JQWIXIFHSA-N	-1	0	332.356	0.804	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C(=O)[O-]	ZINC000868345239	589894522	/nfs/dbraw/zinc/89/45/22/589894522.db2.gz	DJQLPFJNMCOFNB-ZYHUDNBSSA-N	-1	0	332.356	0.804	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1	ZINC000927204923	611590844	/nfs/dbraw/zinc/59/08/44/611590844.db2.gz	FYBAPSVKFANHDJ-UHFFFAOYSA-N	-1	0	336.392	0.595	20	10		ECCDRM
Cn1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1	ZINC000917732276	609982849	/nfs/dbraw/zinc/98/28/49/609982849.db2.gz	SUPOABOYRQKWFU-UHFFFAOYSA-N	-1	0	330.391	0.592	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1C[C@H]1C(=O)[O-])cc2=O	ZINC000737154643	578482114	/nfs/dbraw/zinc/48/21/14/578482114.db2.gz	GDWAUKRNXVVJTC-RKDXNWHRSA-N	-1	0	349.299	0.376	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CSc3n[nH]c(=O)[n-]3)CC2)cc1	ZINC000776432582	579281501	/nfs/dbraw/zinc/28/15/01/579281501.db2.gz	KWORUPNTGPQYPC-UHFFFAOYSA-N	-1	0	349.416	0.960	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3C(=O)[O-])CC2)cc1	ZINC000738020844	579595024	/nfs/dbraw/zinc/59/50/24/579595024.db2.gz	GFAHLQFAOKJYHD-INIZCTEOSA-N	-1	0	347.415	0.893	20	10		ECCDRM
COC(=O)CNC(=O)[C@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739762615	579711243	/nfs/dbraw/zinc/71/12/43/579711243.db2.gz	RZLAWVTXFDOVCV-NSHDSACASA-N	-1	0	349.387	0.885	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000740003193	579726826	/nfs/dbraw/zinc/72/68/26/579726826.db2.gz	WMCXJOHWVJNEFN-VIFPVBQESA-N	-1	0	343.361	0.246	20	10		ECCDRM
O=C([N-]OC1CCOCC1)C(=O)NCCCSc1nccs1	ZINC000806281249	587092337	/nfs/dbraw/zinc/09/23/37/587092337.db2.gz	ROKUFYWGVJBBHH-UHFFFAOYSA-N	-1	0	345.446	0.968	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCC(=O)[O-])cc2)C1	ZINC000819110937	587469145	/nfs/dbraw/zinc/46/91/45/587469145.db2.gz	FGSDSDSLAXAUML-CYBMUJFWSA-N	-1	0	348.403	0.662	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(C(=O)[O-])CCCC2)c1	ZINC000820894609	587562251	/nfs/dbraw/zinc/56/22/51/587562251.db2.gz	ZCHFAICOFCDWDM-UHFFFAOYSA-N	-1	0	342.373	0.891	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1	ZINC000833737167	588563752	/nfs/dbraw/zinc/56/37/52/588563752.db2.gz	BXTVGNCTIDDTNV-LLVKDONJSA-N	-1	0	328.346	0.357	20	10		ECCDRM
Nc1ccc(CC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)cc1	ZINC000849366140	589327038	/nfs/dbraw/zinc/32/70/38/589327038.db2.gz	MFCRBLFTJICIFJ-CYBMUJFWSA-N	-1	0	345.399	0.735	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC(=O)N(C)C)cc1	ZINC000872901731	590173196	/nfs/dbraw/zinc/17/31/96/590173196.db2.gz	NEBDFGFTZGSUMN-UHFFFAOYSA-N	-1	0	337.376	0.181	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000325855831	601383185	/nfs/dbraw/zinc/38/31/85/601383185.db2.gz	WKUQDYCKTVLANV-CJHWANRJSA-N	-1	0	332.316	0.906	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1	ZINC000927212180	611592343	/nfs/dbraw/zinc/59/23/43/611592343.db2.gz	UVFVNMHDOXDZGF-UHFFFAOYSA-N	-1	0	340.355	0.344	20	10		ECCDRM
CC[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000927943089	611662092	/nfs/dbraw/zinc/66/20/92/611662092.db2.gz	PIFXUBRWNKQCMS-AWEZNQCLSA-N	-1	0	345.399	0.906	20	10		ECCDRM
CN1CCO[C@@H](C(=O)NCc2cccc(Br)c2O)C1=O	ZINC000907758796	609618807	/nfs/dbraw/zinc/61/88/07/609618807.db2.gz	UPVQDEUJNMCCOU-NSHDSACASA-N	-1	0	343.177	0.628	20	10		ECCDRM
COCCN(CC(=O)NCC(=O)[O-])c1ccc(OC)c(OC)c1	ZINC000294733889	436960099	/nfs/dbraw/zinc/96/00/99/436960099.db2.gz	JCLGWAMCZRVQGC-UHFFFAOYSA-N	-1	0	326.349	0.357	20	10		ECCDRM
O=C1NC(=O)N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C[C@@H]12	ZINC000779433080	579315825	/nfs/dbraw/zinc/31/58/25/579315825.db2.gz	PLDZLLXKFAJUGK-JTQLQIEISA-N	-1	0	340.723	0.690	20	10		ECCDRM
O=C([O-])[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1	ZINC000738549443	579638379	/nfs/dbraw/zinc/63/83/79/579638379.db2.gz	WVVKDKYNSRBHDS-OAHLLOKOSA-N	-1	0	349.387	0.518	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNC(=O)[O-])c1	ZINC000740000865	579726759	/nfs/dbraw/zinc/72/67/59/579726759.db2.gz	LTALRDBTOQGZJJ-UHFFFAOYSA-N	-1	0	331.350	0.151	20	10		ECCDRM
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740449847	579748142	/nfs/dbraw/zinc/74/81/42/579748142.db2.gz	AHJUNXQHIQKEIP-CABCVRRESA-N	-1	0	349.387	0.253	20	10		ECCDRM
CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000895438538	586182909	/nfs/dbraw/zinc/18/29/09/586182909.db2.gz	XUBSRUUAIZATFX-LLVKDONJSA-N	-1	0	336.360	0.420	20	10		ECCDRM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-]	ZINC000895026429	586425714	/nfs/dbraw/zinc/42/57/14/586425714.db2.gz	WIHOEBRVRINEBM-LBPRGKRZSA-N	-1	0	328.315	0.924	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1	ZINC000818648560	587442742	/nfs/dbraw/zinc/44/27/42/587442742.db2.gz	YQPILWMBEYANDA-QMMMGPOBSA-N	-1	0	328.346	0.310	20	10		ECCDRM
CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823567239	587730812	/nfs/dbraw/zinc/73/08/12/587730812.db2.gz	GBYMKLKXTJIZSJ-YGRLFVJLSA-N	-1	0	336.392	0.702	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)NC(=O)[O-])cc1	ZINC000828056296	588155674	/nfs/dbraw/zinc/15/56/74/588155674.db2.gz	OWDDYSIVHYFBII-ZDUSSCGKSA-N	-1	0	334.376	0.456	20	10		ECCDRM
COc1ccc(N2CCN(Cn3cnc(C(=O)[O-])n3)CC2)cc1F	ZINC000832383833	588480912	/nfs/dbraw/zinc/48/09/12/588480912.db2.gz	OOKVEBGAJUFZCY-UHFFFAOYSA-N	-1	0	335.339	0.904	20	10		ECCDRM
O=C([O-])CCNC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000833237171	588530429	/nfs/dbraw/zinc/53/04/29/588530429.db2.gz	UUQODKUFBDUWSG-AWEZNQCLSA-N	-1	0	336.388	0.964	20	10		ECCDRM
C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	ZINC000833820807	588569965	/nfs/dbraw/zinc/56/99/65/588569965.db2.gz	UJUHXEIHLZNBIO-JBCWJZNQSA-N	-1	0	338.360	0.675	20	10		ECCDRM
CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1	ZINC000848607414	589303169	/nfs/dbraw/zinc/30/31/69/589303169.db2.gz	AGQOFOIYXFJOKE-LBPRGKRZSA-N	-1	0	335.404	0.986	20	10		ECCDRM
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc(N)cc2)n1	ZINC000858611075	589759815	/nfs/dbraw/zinc/75/98/15/589759815.db2.gz	UZMMTGJEKKTSAN-UHFFFAOYSA-N	-1	0	325.350	0.432	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C(=O)[O-]	ZINC000861712686	589877965	/nfs/dbraw/zinc/87/79/65/589877965.db2.gz	RQYHDLNEOBLDOQ-SWLSCSKDSA-N	-1	0	347.415	0.938	20	10		ECCDRM
O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)C1	ZINC000876549128	590385962	/nfs/dbraw/zinc/38/59/62/590385962.db2.gz	HABHDDKHOAGGOB-GFCCVEGCSA-N	-1	0	346.399	0.975	20	10		ECCDRM
COC(=O)CNC(=O)[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000877594591	590473149	/nfs/dbraw/zinc/47/31/49/590473149.db2.gz	VXRVQRRDWOQIGO-NSHDSACASA-N	-1	0	328.315	0.924	20	10		ECCDRM
COC(=O)CNC(=O)[C@H]1CCCN1Cc1ccc(F)c(F)c1[O-]	ZINC000877594590	590473448	/nfs/dbraw/zinc/47/34/48/590473448.db2.gz	VXRVQRRDWOQIGO-LLVKDONJSA-N	-1	0	328.315	0.924	20	10		ECCDRM
CN1CCO[C@@H](C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)C1	ZINC000911359962	609856447	/nfs/dbraw/zinc/85/64/47/609856447.db2.gz	IXXRXCQOAIXRIC-CYBMUJFWSA-N	-1	0	342.779	0.789	20	10		ECCDRM
O=C(Cn1cc(NC(=O)c2c(F)ccc(O)c2[O-])cn1)NC1CC1	ZINC000276504819	437117375	/nfs/dbraw/zinc/11/73/75/437117375.db2.gz	ADKCYTPEXZVAFE-UHFFFAOYSA-N	-1	0	334.307	0.964	20	10		ECCDRM
NS(=O)(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1	ZINC000365253358	437882551	/nfs/dbraw/zinc/88/25/51/437882551.db2.gz	DSMDFQQRQGEOHI-UHFFFAOYSA-N	-1	0	337.804	0.896	20	10		ECCDRM
COc1ccc(O)c(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000734017788	578351787	/nfs/dbraw/zinc/35/17/87/578351787.db2.gz	YQXARLSMKFKZMY-UHFFFAOYSA-N	-1	0	329.316	0.102	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)CCNC(=O)[O-])cc1	ZINC000737475877	578498927	/nfs/dbraw/zinc/49/89/27/578498927.db2.gz	AKECNCVFSKHRGL-UHFFFAOYSA-N	-1	0	337.376	0.912	20	10		ECCDRM
COCCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)CC(F)F	ZINC000738066295	579601715	/nfs/dbraw/zinc/60/17/15/579601715.db2.gz	XQMDLJGGIWOPQF-UHFFFAOYSA-N	-1	0	330.291	0.847	20	10		ECCDRM
CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)[O-]	ZINC000739624552	579698912	/nfs/dbraw/zinc/69/89/12/579698912.db2.gz	RDHMXSNMUQQFEI-ZDUSSCGKSA-N	-1	0	348.403	0.614	20	10		ECCDRM
O=C([N-]OC1CCOCC1)C(=O)NCc1ccc(N2CC=CC2)cc1	ZINC000807292359	587124726	/nfs/dbraw/zinc/12/47/26/587124726.db2.gz	WTAURYVDAREROU-UHFFFAOYSA-N	-1	0	345.399	0.906	20	10		ECCDRM
C[C@H](CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-]	ZINC000817890714	587390757	/nfs/dbraw/zinc/39/07/57/587390757.db2.gz	XYVAMLAZPIQDFF-GFCCVEGCSA-N	-1	0	335.404	0.890	20	10		ECCDRM
CC(=O)NCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)C(=O)[O-]	ZINC000819744304	587488340	/nfs/dbraw/zinc/48/83/40/587488340.db2.gz	FQLGRKGHUGRHFH-OAQKJQOQSA-N	-1	0	336.344	0.549	20	10		ECCDRM
CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000823567237	587730612	/nfs/dbraw/zinc/73/06/12/587730612.db2.gz	GBYMKLKXTJIZSJ-IINYFYTJSA-N	-1	0	336.392	0.702	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CN2CCCC2=O)NC(=O)[O-])cc1	ZINC000828064208	588156100	/nfs/dbraw/zinc/15/61/00/588156100.db2.gz	ODJAKQNBCOIHPM-AWEZNQCLSA-N	-1	0	348.403	0.800	20	10		ECCDRM
C[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000833739948	588564287	/nfs/dbraw/zinc/56/42/87/588564287.db2.gz	YZSKPQQJIDSTSI-JTQLQIEISA-N	-1	0	325.340	0.935	20	10		ECCDRM
CCNC(=O)CC(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000833859929	588572929	/nfs/dbraw/zinc/57/29/29/588572929.db2.gz	JWYVLEJEDZALSS-CYBMUJFWSA-N	-1	0	336.392	0.704	20	10		ECCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000849364176	589327107	/nfs/dbraw/zinc/32/71/07/589327107.db2.gz	FBLUPNININEXGM-MRXNPFEDSA-N	-1	0	340.351	0.768	20	10		ECCDRM
CCO[N-]C(=O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1	ZINC000852399681	589493958	/nfs/dbraw/zinc/49/39/58/589493958.db2.gz	PXNRCSGCHSRRPZ-LBPRGKRZSA-N	-1	0	336.392	0.641	20	10		ECCDRM
CC[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000927943090	611662029	/nfs/dbraw/zinc/66/20/29/611662029.db2.gz	PIFXUBRWNKQCMS-CQSZACIVSA-N	-1	0	345.399	0.906	20	10		ECCDRM
Cc1nn2c(SCC(=O)c3ccc(O)c(O)c3)n[n-]c2nc1=O	ZINC000734235340	578354907	/nfs/dbraw/zinc/35/49/07/578354907.db2.gz	LIAFAKLVAYJOMG-UHFFFAOYSA-N	-1	0	333.329	0.507	20	10		ECCDRM
O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000762263931	579539504	/nfs/dbraw/zinc/53/95/04/579539504.db2.gz	MSJUPTQYDAWQMR-UHFFFAOYSA-N	-1	0	342.311	0.820	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)[N-]OC2CCOCC2)cc1F	ZINC000803663487	587065377	/nfs/dbraw/zinc/06/53/77/587065377.db2.gz	PUWCQKWORSYBMK-UHFFFAOYSA-N	-1	0	339.367	0.735	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F	ZINC000817106391	587332625	/nfs/dbraw/zinc/33/26/25/587332625.db2.gz	HZAROOMDJPEULX-LLVKDONJSA-N	-1	0	337.351	0.441	20	10		ECCDRM
COCCO[N-]C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	ZINC000817859365	587389753	/nfs/dbraw/zinc/38/97/53/587389753.db2.gz	BLASTNJWPMVYKP-CYBMUJFWSA-N	-1	0	337.420	0.802	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)NC2)NC(=O)[O-])cc1	ZINC000828056218	588155742	/nfs/dbraw/zinc/15/57/42/588155742.db2.gz	NTULHAJJVDQTNE-GXTWGEPZSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)COC2CN(C(=O)[O-])C2)cc1F	ZINC000828067104	588156317	/nfs/dbraw/zinc/15/63/17/588156317.db2.gz	FGGGJNGPSXGMJF-UHFFFAOYSA-N	-1	0	325.340	0.887	20	10		ECCDRM
COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828625272	588194328	/nfs/dbraw/zinc/19/43/28/588194328.db2.gz	XYFXPIJYDONXSO-MJBXVCDLSA-N	-1	0	349.387	0.987	20	10		ECCDRM
CN(CCC(=O)[O-])S(=O)(=O)NCCCSc1nccs1	ZINC000830747307	588384536	/nfs/dbraw/zinc/38/45/36/588384536.db2.gz	BAFVZBIPAXTREB-UHFFFAOYSA-N	-1	0	339.464	0.866	20	10		ECCDRM
CN(CCC(=O)[O-])S(=O)(=O)NCc1ccc2c(c1)CCCN2C	ZINC000830946376	588394239	/nfs/dbraw/zinc/39/42/39/588394239.db2.gz	KSAUHVXHOJAVLY-UHFFFAOYSA-N	-1	0	341.433	0.810	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cnn(C)c2C)cc1	ZINC000853007128	589529110	/nfs/dbraw/zinc/52/91/10/589529110.db2.gz	PTPBDNFMVJCGJQ-UHFFFAOYSA-N	-1	0	346.387	0.945	20	10		ECCDRM
COC1CCN(S(=O)(=O)[N-]N=c2[nH]c3cccnc3s2)CC1	ZINC000857226043	589689984	/nfs/dbraw/zinc/68/99/84/589689984.db2.gz	YKVFKSDXEOXGHZ-UHFFFAOYSA-N	-1	0	343.434	0.963	20	10		ECCDRM
COCCOCCS(=O)(=O)[N-]N=c1[nH]c2cccnc2s1	ZINC000857225211	589690075	/nfs/dbraw/zinc/69/00/75/589690075.db2.gz	IHGITFOCMIMFOX-UHFFFAOYSA-N	-1	0	332.407	0.601	20	10		ECCDRM
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1	ZINC000868343376	589893877	/nfs/dbraw/zinc/89/38/77/589893877.db2.gz	ONDUDXYJZJBGMS-CMPLNLGQSA-N	-1	0	332.356	0.804	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@H]1C(=O)[O-]	ZINC000863749147	590033688	/nfs/dbraw/zinc/03/36/88/590033688.db2.gz	WYUVNIGNBXYVHG-WCQYABFASA-N	-1	0	334.372	0.920	20	10		ECCDRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(C[C@H]2CCCO2)nn1	ZINC000865219422	590134036	/nfs/dbraw/zinc/13/40/36/590134036.db2.gz	XLYWTMUZRRPOIC-WJQTUHTMSA-N	-1	0	339.355	0.919	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N(C)CCn2cccn2)cc1	ZINC000872932487	590175433	/nfs/dbraw/zinc/17/54/33/590175433.db2.gz	NIQVRYPXXOQVCZ-UHFFFAOYSA-N	-1	0	346.387	0.941	20	10		ECCDRM
O=C1NC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN2C1=O	ZINC000294472333	436957437	/nfs/dbraw/zinc/95/74/37/436957437.db2.gz	ZNUVUBXRVYJFHI-SECBINFHSA-N	-1	0	327.743	0.327	20	10		ECCDRM
CSCCO[N-]C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	ZINC000285677425	437081523	/nfs/dbraw/zinc/08/15/23/437081523.db2.gz	JFOQBKQRWRYGAK-UHFFFAOYSA-N	-1	0	329.397	0.919	20	10		ECCDRM
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(Cl)c1[O-]	ZINC000179769156	437273868	/nfs/dbraw/zinc/27/38/68/437273868.db2.gz	GNNKJXCESXBABB-LLVKDONJSA-N	-1	0	346.836	0.781	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1	ZINC000797432581	578633921	/nfs/dbraw/zinc/63/39/21/578633921.db2.gz	JOCFUTFRUOKEDS-UHFFFAOYSA-N	-1	0	345.406	0.097	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1	ZINC000797432714	578633972	/nfs/dbraw/zinc/63/39/72/578633972.db2.gz	OWGNLFOYIAHFGD-UHFFFAOYSA-N	-1	0	345.406	0.097	20	10		ECCDRM
CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)[O-]	ZINC000739624314	579698862	/nfs/dbraw/zinc/69/88/62/579698862.db2.gz	RDHMXSNMUQQFEI-CYBMUJFWSA-N	-1	0	348.403	0.614	20	10		ECCDRM
O=C([O-])NCC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1	ZINC000834197015	588888898	/nfs/dbraw/zinc/88/88/98/588888898.db2.gz	WKIMBXMNTISBDN-UHFFFAOYSA-N	-1	0	334.376	0.287	20	10		ECCDRM
C[C@H](CN(C)C(=O)C(=O)NCCCSc1nccs1)C(=O)[O-]	ZINC000817110676	587333087	/nfs/dbraw/zinc/33/30/87/587333087.db2.gz	KKCLGISXTQLBNV-SECBINFHSA-N	-1	0	345.446	0.921	20	10		ECCDRM
O=C([O-])CCCNC(=O)C(=O)NCCCSc1nccs1	ZINC000817110367	587333206	/nfs/dbraw/zinc/33/32/06/587333206.db2.gz	CLUQDAPFLMMHOZ-UHFFFAOYSA-N	-1	0	331.419	0.723	20	10		ECCDRM
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(C(=O)[O-])CCC2)c1	ZINC000833737984	588564031	/nfs/dbraw/zinc/56/40/31/588564031.db2.gz	PAADZWDMSTUUKY-UHFFFAOYSA-N	-1	0	328.346	0.501	20	10		ECCDRM
COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c(=O)[n-]c2=O)cc1	ZINC000846442400	589201877	/nfs/dbraw/zinc/20/18/77/589201877.db2.gz	PSTZWOHQYYSYDC-UHFFFAOYSA-N	-1	0	333.348	0.500	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H](C)c2ncn(C)n2)cc1	ZINC000853007220	589529155	/nfs/dbraw/zinc/52/91/55/589529155.db2.gz	RLOSJTAMOMOUHQ-NSHDSACASA-N	-1	0	347.375	0.592	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cccnn2)cc1	ZINC000853006793	589529197	/nfs/dbraw/zinc/52/91/97/589529197.db2.gz	KHOYXHKCSACHHL-UHFFFAOYSA-N	-1	0	330.344	0.693	20	10		ECCDRM
CC[S@@](=O)CCNC(=O)CN(CC(=O)[O-])c1ccc(OC)cc1	ZINC000872929952	590175534	/nfs/dbraw/zinc/17/55/34/590175534.db2.gz	QHFNYQPOLZMONG-HSZRJFAPSA-N	-1	0	342.417	0.471	20	10		ECCDRM
Cc1ccc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c(O)c1O	ZINC000286978003	437148888	/nfs/dbraw/zinc/14/88/88/437148888.db2.gz	NXVMGEFXDWKJMX-UHFFFAOYSA-N	-1	0	342.417	0.808	20	10		ECCDRM
O=C(Cn1cnnn1)N1CCN(Cc2cccc(Cl)c2[O-])CC1	ZINC000289830867	437444299	/nfs/dbraw/zinc/44/42/99/437444299.db2.gz	ORZUSHSSVWFRBL-UHFFFAOYSA-N	-1	0	336.783	0.377	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730517428	578306350	/nfs/dbraw/zinc/30/63/50/578306350.db2.gz	WUFPDIJIFGWREV-UHFFFAOYSA-N	-1	0	326.360	0.454	20	10		ECCDRM
C[C@@H]1CN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2F)C[C@H](C)O1	ZINC000731870691	578316453	/nfs/dbraw/zinc/31/64/53/578316453.db2.gz	MUWCRSMQBKUQPE-PHIMTYICSA-N	-1	0	348.378	0.931	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000737476147	578498894	/nfs/dbraw/zinc/49/88/94/578498894.db2.gz	DXXOLBBIHQFQBY-ZIAGYGMSSA-N	-1	0	334.372	0.975	20	10		ECCDRM
O=C(CO)N1CCN(Cc2cccc(Br)c2[O-])CC1	ZINC000793593689	578931791	/nfs/dbraw/zinc/93/17/91/578931791.db2.gz	PFQGJTYIJFCULS-UHFFFAOYSA-N	-1	0	329.194	0.791	20	10		ECCDRM
COc1ccc(N2CCC(NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2)cc1	ZINC000765485683	579067608	/nfs/dbraw/zinc/06/76/08/579067608.db2.gz	YFJPPXCHQAGYSC-UHFFFAOYSA-N	-1	0	345.359	0.690	20	10		ECCDRM
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740449853	579748298	/nfs/dbraw/zinc/74/82/98/579748298.db2.gz	AHJUNXQHIQKEIP-LSDHHAIUSA-N	-1	0	349.387	0.253	20	10		ECCDRM
O=S1(=O)NC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])CCN21	ZINC000897279238	586292664	/nfs/dbraw/zinc/29/26/64/586292664.db2.gz	JZWUHHYKOWYXFT-SNVBAGLBSA-N	-1	0	335.788	0.519	20	10		ECCDRM
O=S1(=O)NC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)CCN21	ZINC000897279018	586293301	/nfs/dbraw/zinc/29/33/01/586293301.db2.gz	DVFDAILNLLAINI-MRVPVSSYSA-N	-1	0	335.788	0.519	20	10		ECCDRM
O=C([O-])CCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000843257121	589057234	/nfs/dbraw/zinc/05/72/34/589057234.db2.gz	LQUWQBMISGEXPY-UHFFFAOYSA-N	-1	0	349.387	0.120	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C(=O)[O-]	ZINC000843257333	589057250	/nfs/dbraw/zinc/05/72/50/589057250.db2.gz	OSPIEPFSNXHGEF-SWLSCSKDSA-N	-1	0	347.415	0.938	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21	ZINC000817107442	587332824	/nfs/dbraw/zinc/33/28/24/587332824.db2.gz	PRFWNHBQUCGFIK-CQSZACIVSA-N	-1	0	345.399	0.618	20	10		ECCDRM
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCCC(=O)[O-])C2)cc1	ZINC000818657830	587443753	/nfs/dbraw/zinc/44/37/53/587443753.db2.gz	LSRHMOAOULAMST-LBPRGKRZSA-N	-1	0	349.387	0.229	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)C2(C(N)=O)CC2)NC(=O)[O-])cc1	ZINC000828055760	588155656	/nfs/dbraw/zinc/15/56/56/588155656.db2.gz	JQPJFAFJAWTKFG-LBPRGKRZSA-N	-1	0	334.376	0.443	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055801	588155660	/nfs/dbraw/zinc/15/56/60/588155660.db2.gz	KFIUDNUFRQCJCL-OCCSQVGLSA-N	-1	0	348.403	0.704	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cc(C)nn2C)cc1	ZINC000853007458	589529138	/nfs/dbraw/zinc/52/91/38/589529138.db2.gz	AIMSLVSRXVFHAA-UHFFFAOYSA-N	-1	0	346.387	0.945	20	10		ECCDRM
C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C(=O)[O-]	ZINC000868345238	589894443	/nfs/dbraw/zinc/89/44/43/589894443.db2.gz	DJQLPFJNMCOFNB-PWSUYJOCSA-N	-1	0	332.356	0.804	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)CCc3nnn[n-]3)CC2)c(OC)c1	ZINC000870166801	590004946	/nfs/dbraw/zinc/00/49/46/590004946.db2.gz	VBWKOYIZLWPUSG-UHFFFAOYSA-N	-1	0	346.391	0.498	20	10		ECCDRM
COCCN1C(=O)C(=CNc2cccnc2Cl)C(=O)NC1=S	ZINC000920976507	609696116	/nfs/dbraw/zinc/69/61/16/609696116.db2.gz	VSSKIORIXIFOLZ-BQYQJAHWSA-N	-1	0	340.792	0.921	20	10		ECCDRM
NC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000320853645	749324791	/nfs/dbraw/zinc/32/47/91/749324791.db2.gz	UCLHWCUKBHFVJG-UHFFFAOYSA-N	-1	0	336.325	0.990	20	10		ECCDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cn1	ZINC000797820061	578635571	/nfs/dbraw/zinc/63/55/71/578635571.db2.gz	DNFMQBCHQKYIGL-UHFFFAOYSA-N	-1	0	341.345	0.571	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CC[C@@]3(C2)NC(=O)NC3=O)c([N+](=O)[O-])c1	ZINC000739625270	579698999	/nfs/dbraw/zinc/69/89/99/579698999.db2.gz	OENIXGJZDSOMEU-HKLWWIALSA-N	-1	0	346.299	0.481	20	10		ECCDRM
O=C([O-])NCCNC(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1	ZINC000740658211	579758064	/nfs/dbraw/zinc/75/80/64/579758064.db2.gz	ARCORNNNHPJNRS-SECBINFHSA-N	-1	0	341.389	0.690	20	10		ECCDRM
O=S1(=O)NC[C@H]2CN(Cc3cc(Cl)c(F)cc3[O-])CCN21	ZINC000897276786	586292412	/nfs/dbraw/zinc/29/24/12/586292412.db2.gz	BOGCKAJKBBCNPA-VIFPVBQESA-N	-1	0	335.788	0.519	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1	ZINC000899851024	586508916	/nfs/dbraw/zinc/50/89/16/586508916.db2.gz	PJZZEBPXXDFDKU-JSEZXORMSA-N	-1	0	346.383	0.878	20	10		ECCDRM
O=C(C[C@@H]1NC(=O)NC1=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807835269	587137857	/nfs/dbraw/zinc/13/78/57/587137857.db2.gz	CICNTUWZFBDSOA-QMMMGPOBSA-N	-1	0	332.143	0.913	20	10		ECCDRM
CC(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)[O-]	ZINC000820053207	587505640	/nfs/dbraw/zinc/50/56/40/587505640.db2.gz	FEOFPYPIOSAGQA-NSHDSACASA-N	-1	0	330.362	0.603	20	10		ECCDRM
COC[C@@](C)(O)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828895910	588208211	/nfs/dbraw/zinc/20/82/11/588208211.db2.gz	DLOSKAXNQQDNRM-CZUORRHYSA-N	-1	0	339.392	0.575	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@H]3CN(C(=O)[O-])CCO3)CC2)cc1	ZINC000829424178	588324117	/nfs/dbraw/zinc/32/41/17/588324117.db2.gz	MVEIILOCZNHMJZ-OAHLLOKOSA-N	-1	0	349.387	0.723	20	10		ECCDRM
NS(=O)(=O)c1ccc2c(c1)/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)N2	ZINC000833089236	588520738	/nfs/dbraw/zinc/52/07/38/588520738.db2.gz	NUIJBAPBLOTFBQ-XCVCLJGOSA-N	-1	0	333.325	0.853	20	10		ECCDRM
CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](C(=O)[O-])CC1=O	ZINC000833695333	588559547	/nfs/dbraw/zinc/55/95/47/588559547.db2.gz	LWEPWIHFSFMALF-OAHLLOKOSA-N	-1	0	347.415	0.846	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)C3(C(=O)[O-])CC3)CC2)cc1	ZINC000844244291	589104789	/nfs/dbraw/zinc/10/47/89/589104789.db2.gz	UNVOMNYWYURAFQ-UHFFFAOYSA-N	-1	0	347.415	0.798	20	10		ECCDRM
O=C(CN1CCNC(=O)C1)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000908210761	609647917	/nfs/dbraw/zinc/64/79/17/609647917.db2.gz	CXEZLLNOJJYIEH-UHFFFAOYSA-N	-1	0	332.187	0.747	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000914241218	609869325	/nfs/dbraw/zinc/86/93/25/609869325.db2.gz	GKSVYMLETVVXCN-UHFFFAOYSA-N	-1	0	340.355	0.139	20	10		ECCDRM
Cc1cc(CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])ccc1N(C)C	ZINC000923248983	611219780	/nfs/dbraw/zinc/21/97/80/611219780.db2.gz	ISTPOBMYQAUTMF-CQSZACIVSA-N	-1	0	326.418	0.745	20	10		ECCDRM
O=C1NC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCN2C1=O	ZINC000091866428	436462260	/nfs/dbraw/zinc/46/22/60/436462260.db2.gz	QNKJBYRXYYMUOD-SNVBAGLBSA-N	-1	0	344.198	0.842	20	10		ECCDRM
CC(C)NS(=O)(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000277018784	437185326	/nfs/dbraw/zinc/18/53/26/437185326.db2.gz	MKRNZPFKQIZZHN-UHFFFAOYSA-N	-1	0	332.382	0.222	20	10		ECCDRM
Cn1nccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000727354014	578158288	/nfs/dbraw/zinc/15/82/88/578158288.db2.gz	XOUZQMRMTADEQQ-UHFFFAOYSA-N	-1	0	330.391	0.592	20	10		ECCDRM
CS(=O)(=O)NCCN1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739994609	579726279	/nfs/dbraw/zinc/72/62/79/579726279.db2.gz	JWQCLPZHNFTCLH-UHFFFAOYSA-N	-1	0	327.406	0.756	20	10		ECCDRM
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000817887936	587390953	/nfs/dbraw/zinc/39/09/53/587390953.db2.gz	HIJDSXVCYXTZAD-TZMCWYRMSA-N	-1	0	347.415	0.938	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC(=O)N2)NC(=O)[O-])cc1	ZINC000828055211	588155708	/nfs/dbraw/zinc/15/57/08/588155708.db2.gz	FZKPUAIVYOTHSF-CHWSQXEVSA-N	-1	0	334.376	0.456	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)NC(=O)[O-])cc1	ZINC000828056221	588155734	/nfs/dbraw/zinc/15/57/34/588155734.db2.gz	NTULHAJJVDQTNE-TZMCWYRMSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2(C(N)=O)CC2)NC(=O)[O-])cc1	ZINC000828055759	588155737	/nfs/dbraw/zinc/15/57/37/588155737.db2.gz	JQPJFAFJAWTKFG-GFCCVEGCSA-N	-1	0	334.376	0.443	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000830830766	588388107	/nfs/dbraw/zinc/38/81/07/588388107.db2.gz	MWKMQSDAZOSCFL-MRXNPFEDSA-N	-1	0	349.431	0.887	20	10		ECCDRM
C[C@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)[O-]	ZINC000848609486	589303498	/nfs/dbraw/zinc/30/34/98/589303498.db2.gz	FGFLJBZYJNEDES-GFCCVEGCSA-N	-1	0	331.372	0.516	20	10		ECCDRM
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C(=O)[O-])C1CCC1	ZINC000853351130	589541442	/nfs/dbraw/zinc/54/14/42/589541442.db2.gz	WHVBZOONNAETJE-CYBMUJFWSA-N	-1	0	334.372	0.968	20	10		ECCDRM
CS(=O)(=O)NC1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1	ZINC000862484812	589941776	/nfs/dbraw/zinc/94/17/76/589941776.db2.gz	BJCWDXJIHPNAJM-UHFFFAOYSA-N	-1	0	335.769	0.687	20	10		ECCDRM
CC[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)[O-]	ZINC000927942030	611661633	/nfs/dbraw/zinc/66/16/33/611661633.db2.gz	UUCGNHRWEFVJAZ-NSHDSACASA-N	-1	0	339.367	0.735	20	10		ECCDRM
O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cccc2nonc21	ZINC000161181226	608813199	/nfs/dbraw/zinc/81/31/99/608813199.db2.gz	YYTXQEVUNSDXDJ-UHFFFAOYSA-N	-1	0	343.328	0.999	20	10		ECCDRM
CCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000275216570	436941591	/nfs/dbraw/zinc/94/15/91/436941591.db2.gz	IDAIEQZLLYNSLR-UHFFFAOYSA-N	-1	0	336.391	0.908	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccoc2)cc1	ZINC000795361916	578608633	/nfs/dbraw/zinc/60/86/33/578608633.db2.gz	JJPWUMOJFMVMCK-UHFFFAOYSA-N	-1	0	331.375	0.957	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1	ZINC000797431628	578633889	/nfs/dbraw/zinc/63/38/89/578633889.db2.gz	USDFOWSEDNXULC-UHFFFAOYSA-N	-1	0	345.406	0.097	20	10		ECCDRM
Cc1oc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1C(=O)[O-]	ZINC000738969188	579659060	/nfs/dbraw/zinc/65/90/60/579659060.db2.gz	JGFPTFMUPNOCOE-BAQGIRSFSA-N	-1	0	326.355	0.973	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)C1	ZINC000739160858	579670726	/nfs/dbraw/zinc/67/07/26/579670726.db2.gz	PFQJOGTWVNHWER-YUELXQCFSA-N	-1	0	345.399	0.725	20	10		ECCDRM
C[C@H](CS(=O)(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)[O-]	ZINC000827564362	588128622	/nfs/dbraw/zinc/12/86/22/588128622.db2.gz	WGZZWUDZCPDRKL-GFCCVEGCSA-N	-1	0	342.417	0.663	20	10		ECCDRM
C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	ZINC000828012646	588152462	/nfs/dbraw/zinc/15/24/62/588152462.db2.gz	IMNACARGLVSRBA-AWEZNQCLSA-N	-1	0	342.373	0.701	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)C2(C(N)=O)CCC2)NC(=O)[O-])cc1	ZINC000828055499	588155798	/nfs/dbraw/zinc/15/57/98/588155798.db2.gz	IIRHBCHAXXXLFU-CYBMUJFWSA-N	-1	0	348.403	0.833	20	10		ECCDRM
Nc1nc(N)nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)n1	ZINC000833090841	588521154	/nfs/dbraw/zinc/52/11/54/588521154.db2.gz	FRVJKJJAMYARJT-UHFFFAOYSA-N	-1	0	338.755	0.482	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)COCC(=O)[O-])cc2)C1	ZINC000844251024	589105222	/nfs/dbraw/zinc/10/52/22/589105222.db2.gz	VSBHJFZSAWDQOH-CYBMUJFWSA-N	-1	0	349.387	0.106	20	10		ECCDRM
COc1ccc(N(C)CCN(C)C(=O)c2cnc([O-])n(C)c2=O)cc1	ZINC000846442196	589201887	/nfs/dbraw/zinc/20/18/87/589201887.db2.gz	LRBCUHBSDJAPMF-UHFFFAOYSA-N	-1	0	346.387	0.703	20	10		ECCDRM
C[C@H]1CN(c2ccc(CNC(=O)c3cc(=O)[nH][n-]3)cc2F)C[C@H](C)O1	ZINC000731870693	578316373	/nfs/dbraw/zinc/31/63/73/578316373.db2.gz	MUWCRSMQBKUQPE-QWRGUYRKSA-N	-1	0	348.378	0.931	20	10		ECCDRM
CS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776432802	579281508	/nfs/dbraw/zinc/28/15/08/579281508.db2.gz	FQSXEUXVMFQDQS-UHFFFAOYSA-N	-1	0	337.375	0.267	20	10		ECCDRM
COC(=O)CNC(=O)[C@@H](C)N1CCCc2cc(CNC(=O)[O-])ccc21	ZINC000739762612	579711241	/nfs/dbraw/zinc/71/12/41/579711241.db2.gz	RZLAWVTXFDOVCV-LLVKDONJSA-N	-1	0	349.387	0.885	20	10		ECCDRM
O=C([O-])NCCCNC(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000740651698	579757735	/nfs/dbraw/zinc/75/77/35/579757735.db2.gz	PTNCAFZVFQVTGZ-UHFFFAOYSA-N	-1	0	336.392	0.980	20	10		ECCDRM
C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1C(=O)[O-]	ZINC000843056155	589048336	/nfs/dbraw/zinc/04/83/36/589048336.db2.gz	VKKNTUNNPQLZJL-YPMHNXCESA-N	-1	0	334.372	0.920	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC[C@H](O)C2CC2)cc1	ZINC000899856443	586509607	/nfs/dbraw/zinc/50/96/07/586509607.db2.gz	QOIMUOLENFKAHC-HNNXBMFYSA-N	-1	0	336.388	0.863	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NCCCCC(=O)[O-])cc1F	ZINC000817106623	587332840	/nfs/dbraw/zinc/33/28/40/587332840.db2.gz	JYGPEYBYCHZRJV-UHFFFAOYSA-N	-1	0	339.367	0.879	20	10		ECCDRM
C[C@@H](NC(=O)C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(N(C)C)cc1	ZINC000817113205	587333572	/nfs/dbraw/zinc/33/35/72/587333572.db2.gz	ACASPMMCNCDOKG-DGCLKSJQSA-N	-1	0	333.388	0.863	20	10		ECCDRM
O=C(Nc1ccc(-c2nnco2)cc1)C1=S=C(c2nnn[n-]2)C=C1	ZINC000823303467	587714706	/nfs/dbraw/zinc/71/47/06/587714706.db2.gz	JHKSQOWMZHAEQP-UHFFFAOYSA-N	-1	0	339.340	0.884	20	10		ECCDRM
O=C([O-])CN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)o2)SC1=S	ZINC000823387444	587719320	/nfs/dbraw/zinc/71/93/20/587719320.db2.gz	KBUVQUAQSDVMDA-XVNBXDOJSA-N	-1	0	337.342	0.746	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2COCCO2)NC(=O)[O-])cc1	ZINC000828055755	588155593	/nfs/dbraw/zinc/15/55/93/588155593.db2.gz	JPVACGVFIOWHEO-KGLIPLIRSA-N	-1	0	337.376	0.593	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCNC(=O)C2)NC(=O)[O-])cc1	ZINC000828055799	588155690	/nfs/dbraw/zinc/15/56/90/588155690.db2.gz	KFIUDNUFRQCJCL-GXTWGEPZSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](CC(=O)[O-])C2)cc1	ZINC000830639325	588379806	/nfs/dbraw/zinc/37/98/06/588379806.db2.gz	DCBIUORAVLSBOB-OAHLLOKOSA-N	-1	0	335.404	0.544	20	10		ECCDRM
CS(=O)(=O)CC[C@H](NC(=O)[O-])C(=O)NCc1ccccc1O	ZINC000833894590	588577014	/nfs/dbraw/zinc/57/70/14/588577014.db2.gz	MLYNFVUFTPWNPT-JTQLQIEISA-N	-1	0	330.362	0.079	20	10		ECCDRM
Cc1nnc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)s1	ZINC000851709399	589417526	/nfs/dbraw/zinc/41/75/26/589417526.db2.gz	NNUZALNYWOAHGN-UHFFFAOYSA-N	-1	0	334.361	0.925	20	10		ECCDRM
O=C([O-])c1cnn2c1[nH]c(CN1CCc3nccnc3C1)cc2=O	ZINC000851708993	589417647	/nfs/dbraw/zinc/41/76/47/589417647.db2.gz	CYTDNFMIOGFPIW-UHFFFAOYSA-N	-1	0	326.316	0.481	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCC2(CC(N)=O)CC2)cc1	ZINC000853010824	589529156	/nfs/dbraw/zinc/52/91/56/589529156.db2.gz	NGYGCVCLAMODOB-UHFFFAOYSA-N	-1	0	349.387	0.358	20	10		ECCDRM
Cn1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(N)=O	ZINC000320175136	746271771	/nfs/dbraw/zinc/27/17/71/746271771.db2.gz	NHZOQQADFNVXKI-UHFFFAOYSA-N	-1	0	339.329	0.329	20	10		ECCDRM
CCNc1nc2nnc(SCC(=O)[N-]OCC)n2c(NCC)n1	ZINC000054148691	436547755	/nfs/dbraw/zinc/54/77/55/436547755.db2.gz	AFIHUDVSWWQRRE-UHFFFAOYSA-N	-1	0	340.413	0.543	20	10		ECCDRM
NC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1=O	ZINC000839168393	586839583	/nfs/dbraw/zinc/83/95/83/586839583.db2.gz	AFSSEEIOEIMNEH-UHFFFAOYSA-N	-1	0	332.187	0.829	20	10		ECCDRM
Cn1cnn(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1=O	ZINC000807838453	587137871	/nfs/dbraw/zinc/13/78/71/587137871.db2.gz	RYERLXIVWNWJSK-UHFFFAOYSA-N	-1	0	331.159	0.911	20	10		ECCDRM
COC[C@@](C)(O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000828895911	588208073	/nfs/dbraw/zinc/20/80/73/588208073.db2.gz	DLOSKAXNQQDNRM-XJKSGUPXSA-N	-1	0	339.392	0.575	20	10		ECCDRM
Cc1ccc(C(=O)NCCCN2CCN(C(=O)[O-])CC2)c(O)c1O	ZINC000830216880	588365808	/nfs/dbraw/zinc/36/58/08/588365808.db2.gz	NACSDOFRJPKEKZ-UHFFFAOYSA-N	-1	0	337.376	0.822	20	10		ECCDRM
CC(=O)N(C)CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833388295	588537371	/nfs/dbraw/zinc/53/73/71/588537371.db2.gz	NCFCVIZEZDFSES-UHFFFAOYSA-N	-1	0	328.752	0.937	20	10		ECCDRM
CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1n[n-]c(=O)o1	ZINC000852193086	589449783	/nfs/dbraw/zinc/44/97/83/589449783.db2.gz	YHIAFOGSCNDQFD-UHFFFAOYSA-N	-1	0	333.392	0.932	20	10		ECCDRM
COc1cc(N(C)[C@H]2CCN(CC(=O)[O-])C2=O)cc(OC)c1OC	ZINC000852726350	589507346	/nfs/dbraw/zinc/50/73/46/589507346.db2.gz	KTNJOKQEDJJXEZ-NSHDSACASA-N	-1	0	338.360	0.834	20	10		ECCDRM
O=C([O-])C=Cc1ccc(N2CCN3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000325855832	601383017	/nfs/dbraw/zinc/38/30/17/601383017.db2.gz	WKUQDYCKTVLANV-FWEMWIAWSA-N	-1	0	332.316	0.906	20	10		ECCDRM
COCCN(CCOC)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000274876281	292493301	/nfs/dbraw/zinc/49/33/01/292493301.db2.gz	BQVBPTSDFPOUIL-UHFFFAOYSA-N	-1	0	348.377	0.342	20	10		ECCDRM
CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000758773075	579481447	/nfs/dbraw/zinc/48/14/47/579481447.db2.gz	HEQDDZZEAVZQSW-UHFFFAOYSA-N	-1	0	337.357	0.833	20	10		ECCDRM
CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1	ZINC000797431870	578633852	/nfs/dbraw/zinc/63/38/52/578633852.db2.gz	ZYTVHIJWMHPLCV-UHFFFAOYSA-N	-1	0	345.406	0.097	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1F	ZINC000797715785	578634907	/nfs/dbraw/zinc/63/49/07/578634907.db2.gz	UIJUWVILYFNFPS-OAHLLOKOSA-N	-1	0	325.340	0.935	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)C1	ZINC000739160857	579670735	/nfs/dbraw/zinc/67/07/35/579670735.db2.gz	PFQJOGTWVNHWER-VHDGCEQUSA-N	-1	0	345.399	0.725	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1	ZINC000739709999	579705122	/nfs/dbraw/zinc/70/51/22/579705122.db2.gz	NIMNIDDZNZOIPV-UHFFFAOYSA-N	-1	0	348.403	0.533	20	10		ECCDRM
Cc1cc(N(C)C)ccc1CNC(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000740076657	579728928	/nfs/dbraw/zinc/72/89/28/579728928.db2.gz	AVBPFTIXRCOBFI-UHFFFAOYSA-N	-1	0	348.403	0.499	20	10		ECCDRM
Nc1nc(N)nc(CN2CCCc3cc(CNC(=O)[O-])ccc32)n1	ZINC000740340315	579740043	/nfs/dbraw/zinc/74/00/43/579740043.db2.gz	GIXZISMVPNICKT-UHFFFAOYSA-N	-1	0	329.364	0.756	20	10		ECCDRM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cn1	ZINC000743260230	579796134	/nfs/dbraw/zinc/79/61/34/579796134.db2.gz	ZQUSPSNBGWBCCB-UHFFFAOYSA-N	-1	0	325.346	0.871	20	10		ECCDRM
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)C(=O)[O-])cc2)CC1	ZINC000842690980	589032800	/nfs/dbraw/zinc/03/28/00/589032800.db2.gz	IOEPRGJZFKEBBS-LBPRGKRZSA-N	-1	0	333.388	0.692	20	10		ECCDRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1	ZINC000808072897	587143055	/nfs/dbraw/zinc/14/30/55/587143055.db2.gz	WTKNRNXCXRHXQM-UHFFFAOYSA-N	-1	0	344.418	0.901	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1F	ZINC000817106110	587332535	/nfs/dbraw/zinc/33/25/35/587332535.db2.gz	DGIQXZJRYUGYGP-UHFFFAOYSA-N	-1	0	325.340	0.489	20	10		ECCDRM
O=C([O-])CCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	ZINC000817109253	587333007	/nfs/dbraw/zinc/33/30/07/587333007.db2.gz	SNDCEXARXHCECJ-UHFFFAOYSA-N	-1	0	333.388	0.884	20	10		ECCDRM
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000817887935	587390883	/nfs/dbraw/zinc/39/08/83/587390883.db2.gz	HIJDSXVCYXTZAD-OCCSQVGLSA-N	-1	0	347.415	0.938	20	10		ECCDRM
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(=O)[nH]n2)NC(=O)[O-])cc1	ZINC000828064646	588155943	/nfs/dbraw/zinc/15/59/43/588155943.db2.gz	VKMFCRYFYIDGFJ-CYBMUJFWSA-N	-1	0	345.359	0.987	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)Cn2nnnc2CNC(=O)[O-])cc1	ZINC000828356029	588174808	/nfs/dbraw/zinc/17/48/08/588174808.db2.gz	UDRRNOBIWWIHGX-UHFFFAOYSA-N	-1	0	347.379	0.165	20	10		ECCDRM
CC(=O)N[C@@H](C)C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O	ZINC000833395601	588538864	/nfs/dbraw/zinc/53/88/64/588538864.db2.gz	PXFTYTUKWGYKDT-QMMMGPOBSA-N	-1	0	328.752	0.983	20	10		ECCDRM
COc1ccc(O)c(CNS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000833733199	588563692	/nfs/dbraw/zinc/56/36/92/588563692.db2.gz	CCUDONJJJVXKMU-UHFFFAOYSA-N	-1	0	344.389	0.532	20	10		ECCDRM
NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1c(O)ccc2c1CCCC2	ZINC000833983678	588584105	/nfs/dbraw/zinc/58/41/05/588584105.db2.gz	WEYKGTVINXERKG-GFCCVEGCSA-N	-1	0	335.360	0.399	20	10		ECCDRM
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(C(=O)[O-])CC3)cc2)C1	ZINC000844250995	589105223	/nfs/dbraw/zinc/10/52/23/589105223.db2.gz	UYKZCWDQYWQPCG-ZDUSSCGKSA-N	-1	0	345.399	0.869	20	10		ECCDRM
CN(C)S(=O)(=O)CCCN(C)c1ccc(OCC(=O)[O-])cc1	ZINC000846280245	589194947	/nfs/dbraw/zinc/19/49/47/589194947.db2.gz	WBGVMUAMVBKYRY-UHFFFAOYSA-N	-1	0	330.406	0.868	20	10		ECCDRM
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCCCC(=O)[O-])C2)cc1	ZINC000851681180	589412823	/nfs/dbraw/zinc/41/28/23/589412823.db2.gz	LUZIQKMAYJFYIN-LBPRGKRZSA-N	-1	0	349.387	0.371	20	10		ECCDRM
CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852957605	589528292	/nfs/dbraw/zinc/52/82/92/589528292.db2.gz	YJPIQEWBXNHWSU-KRWDZBQOSA-N	-1	0	336.388	0.754	20	10		ECCDRM
O=C(Cn1cnnn1)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000877522199	590469579	/nfs/dbraw/zinc/46/95/79/590469579.db2.gz	KNALXMVWVHCWLL-UHFFFAOYSA-N	-1	0	338.318	0.001	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1	ZINC000730518703	578306516	/nfs/dbraw/zinc/30/65/16/578306516.db2.gz	OKJCTQWZOSZABS-UHFFFAOYSA-N	-1	0	340.387	0.796	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000737475965	578498966	/nfs/dbraw/zinc/49/89/66/578498966.db2.gz	DXXOLBBIHQFQBY-KBPBESRZSA-N	-1	0	334.372	0.975	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)C1	ZINC000739160856	579670798	/nfs/dbraw/zinc/67/07/98/579670798.db2.gz	PFQJOGTWVNHWER-SNPRPXQTSA-N	-1	0	345.399	0.725	20	10		ECCDRM
NS(=O)(=O)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1	ZINC000739191949	579674418	/nfs/dbraw/zinc/67/44/18/579674418.db2.gz	JOBNSGJFTNCRLE-GQPNGRKGSA-N	-1	0	341.345	0.560	20	10		ECCDRM
CC(=O)NCC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000807838066	587137796	/nfs/dbraw/zinc/13/77/96/587137796.db2.gz	JYHLLDLZJMPZHG-UHFFFAOYSA-N	-1	0	348.186	0.568	20	10		ECCDRM
CN(C)c1ccc(CN(C(=O)C(=O)NCCC(=O)[O-])C2CC2)cc1	ZINC000817114393	587333886	/nfs/dbraw/zinc/33/38/86/587333886.db2.gz	HLSHUPPCRKXHSV-UHFFFAOYSA-N	-1	0	333.388	0.835	20	10		ECCDRM
C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H]1C(=O)[O-]	ZINC000828385185	588175683	/nfs/dbraw/zinc/17/56/83/588175683.db2.gz	GPDMEURVAWMXCD-LDYMZIIASA-N	-1	0	342.373	0.556	20	10		ECCDRM
CN1CCCc2cc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[O-])ccc21	ZINC000828487164	588183488	/nfs/dbraw/zinc/18/34/88/588183488.db2.gz	IACKTLGECHUJCN-HIFRSBDPSA-N	-1	0	333.388	0.798	20	10		ECCDRM
COC(=O)CCS(=O)(=O)[N-]c1cc(F)c(O)cc1C(=O)OC	ZINC000830161265	588363191	/nfs/dbraw/zinc/36/31/91/588363191.db2.gz	OQJHFOJPMWRGBV-UHFFFAOYSA-N	-1	0	335.309	0.623	20	10		ECCDRM
C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1	ZINC000833820808	588570207	/nfs/dbraw/zinc/57/02/07/588570207.db2.gz	UJUHXEIHLZNBIO-RJIBLYRGSA-N	-1	0	338.360	0.675	20	10		ECCDRM
CC(C)(C)n1nnc(CC(=O)OCC(=O)c2ccc(O)c(O)c2)n1	ZINC000849866681	589352122	/nfs/dbraw/zinc/35/21/22/589352122.db2.gz	OXUAFQLAIQLLFH-UHFFFAOYSA-N	-1	0	334.332	0.808	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2cn(C)cn2)cc1	ZINC000853010830	589529271	/nfs/dbraw/zinc/52/92/71/589529271.db2.gz	NNHSXLYVFQIREA-UHFFFAOYSA-N	-1	0	346.387	0.679	20	10		ECCDRM
C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C(=O)[O-]	ZINC000861712687	589878013	/nfs/dbraw/zinc/87/80/13/589878013.db2.gz	RQYHDLNEOBLDOQ-WFASDCNBSA-N	-1	0	347.415	0.938	20	10		ECCDRM
COCCNC(=O)CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1	ZINC000876550971	590386111	/nfs/dbraw/zinc/38/61/11/590386111.db2.gz	NHTOZWSPFZSCAR-UHFFFAOYSA-N	-1	0	343.374	0.551	20	10		ECCDRM
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)C1	ZINC000918370720	610004262	/nfs/dbraw/zinc/00/42/62/610004262.db2.gz	BDRBZVLYEQXJNY-LLVKDONJSA-N	-1	0	344.375	0.142	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000737477361	578499082	/nfs/dbraw/zinc/49/90/82/578499082.db2.gz	RAJGBNPSGZPORV-CABCVRRESA-N	-1	0	335.404	0.231	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1	ZINC000738021928	579595602	/nfs/dbraw/zinc/59/56/02/579595602.db2.gz	KGLIJHOTIOTULU-CVEARBPZSA-N	-1	0	347.415	0.654	20	10		ECCDRM
NC(=O)Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])nn1	ZINC000807837430	587137850	/nfs/dbraw/zinc/13/78/50/587137850.db2.gz	PTEBGQZUDTYTIG-UHFFFAOYSA-N	-1	0	344.158	0.706	20	10		ECCDRM
Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCC(=O)[O-])sc2n1	ZINC000820968130	587566432	/nfs/dbraw/zinc/56/64/32/587566432.db2.gz	NBTMHYMYRKDIKQ-UHFFFAOYSA-N	-1	0	337.357	0.853	20	10		ECCDRM
CN(C)c1ccc(CN(C)C(=O)CN2CCOC[C@H]2C(=O)[O-])cc1	ZINC000823659633	587737033	/nfs/dbraw/zinc/73/70/33/587737033.db2.gz	JWAQLQIWEMNYQD-HNNXBMFYSA-N	-1	0	335.404	0.496	20	10		ECCDRM
C[C@H](NC(N)=O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1	ZINC000825473086	587945203	/nfs/dbraw/zinc/94/52/03/587945203.db2.gz	NLZLFTWASQCWMO-CABZTGNLSA-N	-1	0	337.380	0.234	20	10		ECCDRM
CN(C)c1ccc([C@H](CNC(=O)CNC(=O)C2CC2)NC(=O)[O-])cc1	ZINC000828064526	588156177	/nfs/dbraw/zinc/15/61/77/588156177.db2.gz	RTBSROHYYMGMHK-AWEZNQCLSA-N	-1	0	348.403	0.704	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](CC(=O)[O-])C2)cc1	ZINC000830639324	588379736	/nfs/dbraw/zinc/37/97/36/588379736.db2.gz	DCBIUORAVLSBOB-HNNXBMFYSA-N	-1	0	335.404	0.544	20	10		ECCDRM
CN(C)c1ccc(CNS(=O)(=O)N(C)CCC(=O)[O-])cc1F	ZINC000830639903	588379882	/nfs/dbraw/zinc/37/98/82/588379882.db2.gz	TUJZNHZIOCRBKQ-UHFFFAOYSA-N	-1	0	333.385	0.633	20	10		ECCDRM
Cc1ccc(C(=O)N(C)CCN2CCN(C(=O)[O-])CC2)c(O)c1O	ZINC000833902988	588577525	/nfs/dbraw/zinc/57/75/25/588577525.db2.gz	VFWWILZGZUWICT-UHFFFAOYSA-N	-1	0	337.376	0.774	20	10		ECCDRM
C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C(=O)[O-]	ZINC000868342385	589893839	/nfs/dbraw/zinc/89/38/39/589893839.db2.gz	IBVSPPJQUVYQBW-CMPLNLGQSA-N	-1	0	332.356	0.804	20	10		ECCDRM
C[C@H](NC(=O)CCc1nnn[n-]1)c1ccc(N2CCOCC2)cc1	ZINC000865018799	590120941	/nfs/dbraw/zinc/12/09/41/590120941.db2.gz	NWEBPYRRSHCKAT-LBPRGKRZSA-N	-1	0	330.392	0.846	20	10		ECCDRM
O=C([O-])C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1	ZINC000325721307	602322449	/nfs/dbraw/zinc/32/24/49/602322449.db2.gz	UIZQXGWIUYIXAJ-QMMMGPOBSA-N	-1	0	337.288	0.606	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)Cn3ccc(C(=O)[O-])n3)CC2)cc1	ZINC000911094158	609803023	/nfs/dbraw/zinc/80/30/23/609803023.db2.gz	JSRXVROVDKCLLT-UHFFFAOYSA-N	-1	0	344.371	0.939	20	10		ECCDRM
COc1ccc(N2CCN(CCNC(=O)[C@@H](C)C(=O)[O-])CC2)cc1	ZINC000842586848	611315920	/nfs/dbraw/zinc/31/59/20/611315920.db2.gz	YBBPPEQKQQNRCR-CYBMUJFWSA-N	-1	0	335.404	0.654	20	10		ECCDRM
C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])C[C@H](C)O1	ZINC000314597062	749346369	/nfs/dbraw/zinc/34/63/69/749346369.db2.gz	CGKCLPFNIKAGIN-IUCAKERBSA-N	-1	0	330.362	0.856	20	10		ECCDRM
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(O)c1O	ZINC000780929833	578702833	/nfs/dbraw/zinc/70/28/33/578702833.db2.gz	ZNPSFSUKXASREF-UHFFFAOYSA-N	-1	0	347.415	0.786	20	10		ECCDRM
O=C(CO)N1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1	ZINC000793594872	578931845	/nfs/dbraw/zinc/93/18/45/578931845.db2.gz	SYHNQZDODFDDJA-UHFFFAOYSA-N	-1	0	329.740	0.590	20	10		ECCDRM
CN(C1CCOCC1)S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000776434985	579281419	/nfs/dbraw/zinc/28/14/19/579281419.db2.gz	UURQYXXUGDVREO-UHFFFAOYSA-N	-1	0	330.362	0.858	20	10		ECCDRM
CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](NC(=O)[O-])C1)cc2=O	ZINC000739482613	579690922	/nfs/dbraw/zinc/69/09/22/579690922.db2.gz	YBZSLECDBALNJM-SECBINFHSA-N	-1	0	349.347	0.454	20	10		ECCDRM
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(=O)[nH][n-]1	ZINC000837710003	588959378	/nfs/dbraw/zinc/95/93/78/588959378.db2.gz	ZXDWYJAGKRHBJK-UHFFFAOYSA-N	-1	0	338.314	0.294	20	10		ECCDRM
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1	ZINC000843255677	589057097	/nfs/dbraw/zinc/05/70/97/589057097.db2.gz	CGWYEWNMXGBTJA-QWHCGFSZSA-N	-1	0	333.388	0.738	20	10		ECCDRM
CN(CCC(=O)[O-])C(=O)C(=O)NCc1ccc2c(c1)CCCN2C	ZINC000817106708	587332987	/nfs/dbraw/zinc/33/29/87/587332987.db2.gz	KOCPCWOLJHYIFN-UHFFFAOYSA-N	-1	0	333.388	0.618	20	10		ECCDRM
COc1ccc(N2CCN(C(=O)[C@@H]3CN(C(=O)[O-])CCO3)CC2)cc1	ZINC000829424177	588324362	/nfs/dbraw/zinc/32/43/62/588324362.db2.gz	MVEIILOCZNHMJZ-HNNXBMFYSA-N	-1	0	349.387	0.723	20	10		ECCDRM
COc1ccc(N2CCN(Cn3cc(C(=O)[O-])nn3)CC2)cc1F	ZINC000832383883	588480961	/nfs/dbraw/zinc/48/09/61/588480961.db2.gz	PNRJWOKXXZSNMA-UHFFFAOYSA-N	-1	0	335.339	0.904	20	10		ECCDRM
O=C([O-])c1cn(CC(=O)NCc2ccc(N3CCCC3)cc2)nn1	ZINC000833121131	588523303	/nfs/dbraw/zinc/52/33/03/588523303.db2.gz	XBPUZELSSWNNKW-UHFFFAOYSA-N	-1	0	329.360	0.893	20	10		ECCDRM
NC(=O)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCCCC2)cc1	ZINC000833982277	588583883	/nfs/dbraw/zinc/58/38/83/588583883.db2.gz	KGCJNWZBXYLZIB-CQSZACIVSA-N	-1	0	348.403	0.805	20	10		ECCDRM
CN(CCN1CCCS1(=O)=O)c1ccc(OCC(=O)[O-])cc1	ZINC000846279474	589195005	/nfs/dbraw/zinc/19/50/05/589195005.db2.gz	FSGXZKCKRWOXTL-UHFFFAOYSA-N	-1	0	328.390	0.622	20	10		ECCDRM
COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCC(=O)[O-])cc1	ZINC000846325867	589196328	/nfs/dbraw/zinc/19/63/28/589196328.db2.gz	HFDIJLNCYBTLRU-UHFFFAOYSA-N	-1	0	337.376	0.181	20	10		ECCDRM
CO[C@@](C)(C(=O)[O-])C(=O)NCc1ccc(N2CCC(O)CC2)cc1	ZINC000852957606	589528388	/nfs/dbraw/zinc/52/83/88/589528388.db2.gz	YJPIQEWBXNHWSU-QGZVFWFLSA-N	-1	0	336.388	0.754	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NC[C@@]2(C)CCC(=O)N2)cc1	ZINC000853010371	589529268	/nfs/dbraw/zinc/52/92/68/589529268.db2.gz	BBGZBSRNKMEWLG-QGZVFWFLSA-N	-1	0	349.387	0.371	20	10		ECCDRM
O=C(CCc1nnn[n-]1)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000864931112	590116648	/nfs/dbraw/zinc/11/66/48/590116648.db2.gz	JHBIEHUJTWPVPU-UHFFFAOYSA-N	-1	0	334.355	0.424	20	10		ECCDRM
COc1ccc(N(CC(=O)[O-])CC(=O)NCCC[S@@](C)=O)cc1	ZINC000872928517	590175187	/nfs/dbraw/zinc/17/51/87/590175187.db2.gz	JREOUPBBLLUEHB-HSZRJFAPSA-N	-1	0	342.417	0.471	20	10		ECCDRM
CO[N-]C(=O)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	ZINC000927205661	611591426	/nfs/dbraw/zinc/59/14/26/611591426.db2.gz	LIQNSWUWDNBTRK-UHFFFAOYSA-N	-1	0	336.392	0.342	20	10		ECCDRM