smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)Nc1ccccc1	ZINC000002302933	264018315	/nfs/dbraw/zinc/01/83/15/264018315.db2.gz	YEDRSCKYZHHGMG-GXDHUFHOSA-N	-1	0	322.320	2.696	20	50		DFGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]OCC(F)F)c1C	ZINC000490873290	270002338	/nfs/dbraw/zinc/00/23/38/270002338.db2.gz	CXNPESPGOGJQNM-NTUHNPAUSA-N	-1	0	311.332	2.735	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OCc2cccnc2)cc1	ZINC000179006871	266319910	/nfs/dbraw/zinc/31/99/10/266319910.db2.gz	DOGAHHOFGPXMBH-MHWRWJLKSA-N	-1	0	323.352	2.635	20	50		DFGDRM
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000491157954	268023096	/nfs/dbraw/zinc/02/30/96/268023096.db2.gz	BLOUWLJTTRBQJG-MDWZMJQESA-N	-1	0	307.309	2.634	20	50		DFGDRM
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000490701841	268146191	/nfs/dbraw/zinc/14/61/91/268146191.db2.gz	XZCRJKXWZIEHEO-WUXMJOGZSA-N	-1	0	323.333	2.864	20	50		DFGDRM
O=C([O-])Cc1cccc(NC(=O)NNc2ccc(F)cc2)c1	ZINC000821537585	598147358	/nfs/dbraw/zinc/14/73/58/598147358.db2.gz	JVZVFQWXRVMDKD-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])c1ccccc1NC(=O)NNc1ncccc1Cl	ZINC000821458353	598179311	/nfs/dbraw/zinc/17/93/11/598179311.db2.gz	XTAIKXZXOVEHSI-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
CC(C)CC(=O)NN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000826753772	600733904	/nfs/dbraw/zinc/73/39/04/600733904.db2.gz	FRKSIRLJVYGCEV-LBPRGKRZSA-N	-1	0	319.188	2.786	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1cccc2ccccc21)c1ccccc1	ZINC000833149283	600753356	/nfs/dbraw/zinc/75/33/56/600753356.db2.gz	LMEZHODFLQCFIM-QGZVFWFLSA-N	-1	0	320.348	2.900	20	50		DFGDRM
N#C/C=C(/c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000833062597	601144812	/nfs/dbraw/zinc/14/48/12/601144812.db2.gz	NZQKFTJWZKQMDW-URIHLITRSA-N	-1	0	300.333	2.877	20	50		DFGDRM
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832970695	601330806	/nfs/dbraw/zinc/33/08/06/601330806.db2.gz	LEDPQZRRPDJMJZ-XYOKQWHBSA-N	-1	0	309.325	2.875	20	50		DFGDRM
CC(C)(CNC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-]	ZINC000826559426	601707069	/nfs/dbraw/zinc/70/70/69/601707069.db2.gz	YREVFKKPVTVKMK-SNVBAGLBSA-N	-1	0	305.465	2.928	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc2cc(Br)ccc2c1	ZINC000833280363	602110269	/nfs/dbraw/zinc/11/02/69/602110269.db2.gz	HIJWQLZENURTDJ-UHFFFAOYSA-N	-1	0	324.134	2.906	20	50		DFGDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21	ZINC000739293611	603354104	/nfs/dbraw/zinc/35/41/04/603354104.db2.gz	ZJWPEALEJUIGHG-CQSZACIVSA-N	-1	0	322.390	2.566	20	50		DFGDRM
O=C([O-])NC1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	ZINC000832240264	603829790	/nfs/dbraw/zinc/82/97/90/603829790.db2.gz	URDZVLDHNZSWQU-UHFFFAOYSA-N	-1	0	315.329	2.729	20	50		DFGDRM
C[C@@H](CCNC(=O)NNC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000824793367	603903176	/nfs/dbraw/zinc/90/31/76/603903176.db2.gz	JKYFYGPMZHQXBC-QMMMGPOBSA-N	-1	0	319.283	2.681	20	50		DFGDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1ccc(Cl)c(F)c1	ZINC000826722036	604004527	/nfs/dbraw/zinc/00/45/27/604004527.db2.gz	WREQTKPGLLYWPC-CYBMUJFWSA-N	-1	0	317.748	2.749	20	50		DFGDRM
CC(=NNC(=O)c1cc(C)oc1C)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823533387	604085684	/nfs/dbraw/zinc/08/56/84/604085684.db2.gz	RRMDPIFMQOHBFJ-ZDUSSCGKSA-N	-1	0	307.350	2.535	20	50		DFGDRM
COc1ccc(NNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000829484058	604219604	/nfs/dbraw/zinc/21/96/04/604219604.db2.gz	NHGVOXITKKVCHN-UHFFFAOYSA-N	-1	0	319.292	2.681	20	50		DFGDRM
CC(=NNC(=O)NCc1ccco1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814817629	604637730	/nfs/dbraw/zinc/63/77/30/604637730.db2.gz	PQPVVKKRZKPWAA-NSHDSACASA-N	-1	0	309.366	2.736	20	50		DFGDRM
CC(=NNC(=O)[O-])c1ccc(OC[C@@H]2CCCCO2)c(F)c1	ZINC000825798199	604792125	/nfs/dbraw/zinc/79/21/25/604792125.db2.gz	CCIAYKRAEPQYRD-LBPRGKRZSA-N	-1	0	310.325	2.765	20	50		DFGDRM
CC(C)CC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000824170466	604826684	/nfs/dbraw/zinc/82/66/84/604826684.db2.gz	NWWKKTCJAUBYOP-UHFFFAOYSA-N	-1	0	303.362	2.613	20	50		DFGDRM
CC(C)[C@@H]1C[C@H](CC(=O)NNc2cccc(C(=O)[O-])c2)CCO1	ZINC000833471767	605130374	/nfs/dbraw/zinc/13/03/74/605130374.db2.gz	QCGYRHNUUXNYKL-DOMZBBRYSA-N	-1	0	320.389	2.669	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1	ZINC000830521390	605255025	/nfs/dbraw/zinc/25/50/25/605255025.db2.gz	GSDJSMLTHFQMBJ-ZDUSSCGKSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)NNc2ccccn2)cc1	ZINC000833420117	605483781	/nfs/dbraw/zinc/48/37/81/605483781.db2.gz	ZFHXOJPKOPEJFU-UHFFFAOYSA-N	-1	0	314.345	2.592	20	50		DFGDRM
N#Cc1ccc(Oc2ccc(NC(=O)NNC(=O)[O-])cc2)cc1	ZINC000833976977	605677178	/nfs/dbraw/zinc/67/71/78/605677178.db2.gz	JTADNGDRGYBTCX-UHFFFAOYSA-N	-1	0	312.285	2.655	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)c1ccccc1	ZINC000834044621	605721297	/nfs/dbraw/zinc/72/12/97/605721297.db2.gz	GXGLXOBCMVHSNT-DZGCQCFKSA-N	-1	0	315.373	2.715	20	50		DFGDRM
CC(C)Cc1nc(C(=O)NNc2ccccc2C(=O)[O-])cs1	ZINC000833495204	605721930	/nfs/dbraw/zinc/72/19/30/605721930.db2.gz	XDIPLZORGRTTON-UHFFFAOYSA-N	-1	0	319.386	2.797	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1c(F)cccc1F	ZINC000834274454	606073575	/nfs/dbraw/zinc/07/35/75/606073575.db2.gz	NGYLTAMFQZGNHN-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
O=C([O-])NN=Cc1cccc(Br)c1OC(F)F	ZINC000834250330	606078611	/nfs/dbraw/zinc/07/86/11/606078611.db2.gz	GPRFIOKTWHCKQF-UHFFFAOYSA-N	-1	0	309.066	2.652	20	50		DFGDRM
CC(C)(C)C(=O)N[N-]C(=O)c1ccc(COc2ccccc2)o1	ZINC000028638804	398475039	/nfs/dbraw/zinc/47/50/39/398475039.db2.gz	QACWDOVEGNXOGQ-UHFFFAOYSA-N	-1	0	316.357	2.666	20	50		DFGDRM
CC(C)CC(=O)N[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1	ZINC000030034655	398495702	/nfs/dbraw/zinc/49/57/02/398495702.db2.gz	GEOIAUPZQVJDKR-UHFFFAOYSA-N	-1	0	321.764	2.802	20	50		DFGDRM
O=C(C=CC1CC1)NN=c1[n-]c(-c2ccc(Cl)cc2)no1	ZINC000080242323	399130347	/nfs/dbraw/zinc/13/03/47/399130347.db2.gz	ZFSIGWNWLVWSPU-FPYGCLRLSA-N	-1	0	304.737	2.799	20	50		DFGDRM
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(OCCC(=O)[O-])cc1	ZINC000295883283	265768445	/nfs/dbraw/zinc/76/84/45/265768445.db2.gz	KNGNFDHRDMIFFY-XFXZXTDPSA-N	-1	0	305.305	2.764	20	50		DFGDRM
CCO/C=C(/C#N)C(=O)Nc1ccc(O)c(COC(C)C)c1	ZINC000491175310	267101684	/nfs/dbraw/zinc/10/16/84/267101684.db2.gz	KWCHZAUPBDRSHN-LCYFTJDESA-N	-1	0	304.346	2.700	20	50		DFGDRM
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000491157953	268023220	/nfs/dbraw/zinc/02/32/20/268023220.db2.gz	BLOUWLJTTRBQJG-JYRVWZFOSA-N	-1	0	307.309	2.634	20	50		DFGDRM
N#C/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C(=O)NC1CCCCC1	ZINC000490609968	268155721	/nfs/dbraw/zinc/15/57/21/268155721.db2.gz	CVSZXBUBAJHOCV-XYOKQWHBSA-N	-1	0	315.329	2.656	20	50		DFGDRM
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819091171	597079460	/nfs/dbraw/zinc/07/94/60/597079460.db2.gz	QVVGJNOGSHPKMW-IWTIEGKHSA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])CCCCCNC(=O)NNc1ccc(Cl)c(F)c1	ZINC000819401278	597429857	/nfs/dbraw/zinc/42/98/57/597429857.db2.gz	UKHDOQTUJOFZEK-UHFFFAOYSA-N	-1	0	317.748	2.750	20	50		DFGDRM
Cc1ccc(SCC(=O)NN=C2CCC(C(=O)[O-])CC2)cc1	ZINC000814753814	598095551	/nfs/dbraw/zinc/09/55/51/598095551.db2.gz	ARFQLYNWJZEKFJ-UHFFFAOYSA-N	-1	0	320.414	2.834	20	50		DFGDRM
O=C([O-])Cc1cccc(NC(=O)NNc2ncccc2Cl)c1	ZINC000821537019	598147382	/nfs/dbraw/zinc/14/73/82/598147382.db2.gz	CKKFLUCSJBLWRW-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
Cc1cc(C(=O)NNc2ccccc2)cc(C)c1OCC(=O)[O-]	ZINC000832864503	601756127	/nfs/dbraw/zinc/75/61/27/601756127.db2.gz	KKZLGCIDQWAOTL-UHFFFAOYSA-N	-1	0	314.341	2.524	20	50		DFGDRM
C[C@H](Oc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-]	ZINC000495749499	602072556	/nfs/dbraw/zinc/07/25/56/602072556.db2.gz	WEJYNRWFJRVWIT-NSHDSACASA-N	-1	0	322.361	2.739	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2c(F)cccc2F)c(O)c1	ZINC000740700656	602868155	/nfs/dbraw/zinc/86/81/55/602868155.db2.gz	XURUNXSITQQQFS-UHFFFAOYSA-N	-1	0	323.255	2.517	20	50		DFGDRM
O=C([O-])NC[C@H]1CCCC1=NNC(=O)CCCc1cccs1	ZINC000740621046	603321191	/nfs/dbraw/zinc/32/11/91/603321191.db2.gz	VNOUCYUWNQQIMY-LLVKDONJSA-N	-1	0	323.418	2.611	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2ncccc2Cl)ccc1F	ZINC000740695308	603352854	/nfs/dbraw/zinc/35/28/54/603352854.db2.gz	FTGBQCAUCCDIIT-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
C[C@@H](C(=O)NNc1ccccc1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823701161	603445757	/nfs/dbraw/zinc/44/57/57/603445757.db2.gz	AIPSFOPIQGBYHQ-DOMZBBRYSA-N	-1	0	313.357	2.775	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cccc(F)c2F)c(O)c1	ZINC000832839361	603933415	/nfs/dbraw/zinc/93/34/15/603933415.db2.gz	VSFXCBZVSXZAIE-UHFFFAOYSA-N	-1	0	323.255	2.517	20	50		DFGDRM
CN(CCCC(=O)NNc1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000828284529	604432716	/nfs/dbraw/zinc/43/27/16/604432716.db2.gz	BTOOQGLOXZXHMJ-UHFFFAOYSA-N	-1	0	320.176	2.827	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1C(=O)NNc1c(Cl)cccc1Cl	ZINC000831742436	604434140	/nfs/dbraw/zinc/43/41/40/604434140.db2.gz	FWQOKOMKCFSRAQ-SECBINFHSA-N	-1	0	318.160	2.579	20	50		DFGDRM
CC(C)(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1	ZINC000833450146	604799894	/nfs/dbraw/zinc/79/98/94/604799894.db2.gz	HUIHCADTVQIFRJ-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccccc2C(=O)[O-])CCO1	ZINC000833469770	605128561	/nfs/dbraw/zinc/12/85/61/605128561.db2.gz	CGHMVDGYZAHEGF-SWLSCSKDSA-N	-1	0	320.389	2.669	20	50		DFGDRM
CC(=NNC(=O)c1ncccc1C)[C@H](C)CCCCC(=O)[O-]	ZINC000814885853	605137712	/nfs/dbraw/zinc/13/77/12/605137712.db2.gz	LGBUABUCTPPKAW-LLVKDONJSA-N	-1	0	305.378	2.777	20	50		DFGDRM
CC(C)C[C@H](C)OCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833476020	605260583	/nfs/dbraw/zinc/26/05/83/605260583.db2.gz	WURPFPVLNGBXLW-LBPRGKRZSA-N	-1	0	308.378	2.669	20	50		DFGDRM
N#C/C=C(/c1ccccc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833968952	605457067	/nfs/dbraw/zinc/45/70/67/605457067.db2.gz	PIAWQIVELDARPO-IKEXEMFPSA-N	-1	0	311.385	2.919	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccc2cc(Br)ccc2c1	ZINC000832748731	605567131	/nfs/dbraw/zinc/56/71/31/605567131.db2.gz	RXZCSAFCYUZFDN-UHFFFAOYSA-N	-1	0	309.119	2.515	20	50		DFGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000833522170	605709003	/nfs/dbraw/zinc/70/90/03/605709003.db2.gz	XPXONUZVXRTPLE-LLVKDONJSA-N	-1	0	324.340	2.644	20	50		DFGDRM
C[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H]1C	ZINC000833609145	605739921	/nfs/dbraw/zinc/73/99/21/605739921.db2.gz	QSMZGQPCFXSIPU-UHIISALHSA-N	-1	0	305.378	2.836	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)NCCCCC(=O)[O-])cc1	ZINC000819932490	605740630	/nfs/dbraw/zinc/74/06/30/605740630.db2.gz	LMTXWWPVPMZRLD-UHFFFAOYSA-N	-1	0	307.394	2.865	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccccc2Cl)c(O)c1	ZINC000834257992	605763923	/nfs/dbraw/zinc/76/39/23/605763923.db2.gz	RLAITYZDHTWIBW-UHFFFAOYSA-N	-1	0	321.720	2.892	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)CCSCC(=O)[O-])cc1	ZINC000833448775	605774034	/nfs/dbraw/zinc/77/40/34/605774034.db2.gz	HENOWYPESSVMDU-UHFFFAOYSA-N	-1	0	310.419	2.635	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)[O-])cn2)cc1	ZINC000833448682	605774107	/nfs/dbraw/zinc/77/41/07/605774107.db2.gz	CREXHOBVOZTPOZ-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccccc2Cl)CC1	ZINC000834047319	605963100	/nfs/dbraw/zinc/96/31/00/605963100.db2.gz	DRNMMAZDSIGWGX-SNVBAGLBSA-N	-1	0	323.780	2.563	20	50		DFGDRM
O=C(N[N-]C(=O)c1cc2cc(Cl)ccc2o1)NC1CCCC1	ZINC000065920491	398351267	/nfs/dbraw/zinc/35/12/67/398351267.db2.gz	WQTPAAWBKYVRFG-UHFFFAOYSA-N	-1	0	321.764	2.973	20	50		DFGDRM
CC(C)CC(=O)N[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1	ZINC000014337561	398390158	/nfs/dbraw/zinc/39/01/58/398390158.db2.gz	ZKXHYQHLKLFBSN-UHFFFAOYSA-N	-1	0	321.764	2.802	20	50		DFGDRM
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490663778	269925636	/nfs/dbraw/zinc/92/56/36/269925636.db2.gz	LUQAQHOIWHJHQO-UXBLZVDNSA-N	-1	0	313.338	2.695	20	50		DFGDRM
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000013338288	264018191	/nfs/dbraw/zinc/01/81/91/264018191.db2.gz	BQJFTFQCCRRAGJ-MDWZMJQESA-N	-1	0	308.293	2.636	20	50		DFGDRM
CCOc1ccc(/C=C(/C#N)C(=O)[N-]OCC(F)(F)F)cc1	ZINC000490724879	270002379	/nfs/dbraw/zinc/00/23/79/270002379.db2.gz	CANVGGXTAVUVOO-XFFZJAGNSA-N	-1	0	314.263	2.602	20	50		DFGDRM
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)c1	ZINC000490698488	270002504	/nfs/dbraw/zinc/00/25/04/270002504.db2.gz	RWLUHMOWTNRXPE-LICLKQGHSA-N	-1	0	320.348	2.917	20	50		DFGDRM
CCCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000490663271	270002539	/nfs/dbraw/zinc/00/25/39/270002539.db2.gz	IOVSHJHOPRFQIM-JYRVWZFOSA-N	-1	0	324.340	2.537	20	50		DFGDRM
CCCO[N-]C(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	ZINC000491005403	267026924	/nfs/dbraw/zinc/02/69/24/267026924.db2.gz	AZUPDMICVYKDJD-WPBJZHHJSA-N	-1	0	319.405	2.677	20	50		DFGDRM
CCCO[N-]C(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	ZINC000491005402	267026939	/nfs/dbraw/zinc/02/69/39/267026939.db2.gz	AZUPDMICVYKDJD-WFSQQTBHSA-N	-1	0	319.405	2.677	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OCCC2CC2)cc1	ZINC000490943566	267161962	/nfs/dbraw/zinc/16/19/62/267161962.db2.gz	SGSNJBGUWJQAJI-RVDMUPIBSA-N	-1	0	300.358	2.840	20	50		DFGDRM
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000491134038	267246475	/nfs/dbraw/zinc/24/64/75/267246475.db2.gz	QSYHWMWCELAKKQ-ZROIWOOFSA-N	-1	0	321.336	2.888	20	50		DFGDRM
CN(C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000490637261	267266660	/nfs/dbraw/zinc/26/66/60/267266660.db2.gz	GHUVWFHSGGVULC-RVDMUPIBSA-N	-1	0	306.321	2.955	20	50		DFGDRM
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819091214	597086105	/nfs/dbraw/zinc/08/61/05/597086105.db2.gz	UBPUMXPYNSEAKZ-FVTUNSQFSA-N	-1	0	315.329	2.646	20	50		DFGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccc2c(c1)OCO2	ZINC000774120427	598200804	/nfs/dbraw/zinc/20/08/04/598200804.db2.gz	UOBUPTKENBCAFI-AUWJEWJLSA-N	-1	0	321.288	2.903	20	50		DFGDRM
N#C/C(=C\c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-]	ZINC000728569676	599891160	/nfs/dbraw/zinc/89/11/60/599891160.db2.gz	YGNMWRJTCCHBKR-YCRREMRBSA-N	-1	0	300.295	2.530	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000739453102	600418803	/nfs/dbraw/zinc/41/88/03/600418803.db2.gz	CWMVOZCJHXLWFI-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccccc1F	ZINC000833149228	600733604	/nfs/dbraw/zinc/73/36/04/600733604.db2.gz	JFUUSVXEVLUBCJ-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NN=c2[nH]ccc3sccc32)C1	ZINC000833185419	601210827	/nfs/dbraw/zinc/21/08/27/601210827.db2.gz	WRICPOOWRAVVKU-VHSXEESVSA-N	-1	0	319.386	2.630	20	50		DFGDRM
C[C@@H]1CC/C(=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000828206757	601505422	/nfs/dbraw/zinc/50/54/22/601505422.db2.gz	CFRMHPPYTZJUAJ-SBMLRHLQSA-N	-1	0	305.286	2.945	20	50		DFGDRM
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC000817870619	601717844	/nfs/dbraw/zinc/71/78/44/601717844.db2.gz	CYOIIEJEWPVWOR-GRYCIOLGSA-N	-1	0	317.476	2.880	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C/c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000829402121	602096317	/nfs/dbraw/zinc/09/63/17/602096317.db2.gz	RGNJIUUOQKYPCT-HLVNSREUSA-N	-1	0	317.341	2.789	20	50		DFGDRM
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NNC(=O)[O-]	ZINC000832891200	602231086	/nfs/dbraw/zinc/23/10/86/602231086.db2.gz	OEUVESZQMDLURH-NSHDSACASA-N	-1	0	306.366	2.678	20	50		DFGDRM
COc1ccc(NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1	ZINC000829484892	604222256	/nfs/dbraw/zinc/22/22/56/604222256.db2.gz	XIDBICMFAICYOH-UHFFFAOYSA-N	-1	0	315.329	2.850	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824679648	604297897	/nfs/dbraw/zinc/29/78/97/604297897.db2.gz	MHDHBOKNUPSXQV-NWDGAFQWSA-N	-1	0	323.368	2.685	20	50		DFGDRM
CC(=NNC(=O)c1cc(C)oc1C)c1ccc(C(=O)[O-])cc1	ZINC000825804852	604635749	/nfs/dbraw/zinc/63/57/49/604635749.db2.gz	YSAXUYYZNBGDMM-UHFFFAOYSA-N	-1	0	300.314	2.749	20	50		DFGDRM
CC(=NNC(=O)c1cccc(C#N)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814835929	604638620	/nfs/dbraw/zinc/63/86/20/604638620.db2.gz	DREBLFZIYXCPAL-LBPRGKRZSA-N	-1	0	315.373	2.945	20	50		DFGDRM
O=C([O-])c1cccc(CC(=O)NNc2ccc(Cl)c(F)c2)c1	ZINC000833765800	604795492	/nfs/dbraw/zinc/79/54/92/604795492.db2.gz	NSBFYLWZKKWIIO-UHFFFAOYSA-N	-1	0	322.723	2.863	20	50		DFGDRM
CC1(C)CCC(=CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1	ZINC000833558150	604805444	/nfs/dbraw/zinc/80/54/44/604805444.db2.gz	SHWHRZYPTITTTA-UHFFFAOYSA-N	-1	0	303.362	2.750	20	50		DFGDRM
CC(C)(CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833451600	604806705	/nfs/dbraw/zinc/80/67/05/604806705.db2.gz	QXRHOYYYSSKREB-UHFFFAOYSA-N	-1	0	313.357	2.591	20	50		DFGDRM
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ccccc2C(=O)[O-])CCO1	ZINC000833469772	605128730	/nfs/dbraw/zinc/12/87/30/605128730.db2.gz	CGHMVDGYZAHEGF-WFASDCNBSA-N	-1	0	320.389	2.669	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccccc1)C1CCN(C(=O)[O-])CC1	ZINC000824679428	605251568	/nfs/dbraw/zinc/25/15/68/605251568.db2.gz	KVKUHZYCUVOTJY-GFCCVEGCSA-N	-1	0	305.378	2.546	20	50		DFGDRM
CC(C)(C)c1ncc(C(=O)NNc2ccccc2C(=O)[O-])s1	ZINC000833450608	605260005	/nfs/dbraw/zinc/26/00/05/605260005.db2.gz	FWSBQLWLXPFECK-UHFFFAOYSA-N	-1	0	319.386	2.896	20	50		DFGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1cccc(F)c1	ZINC000833412085	605283227	/nfs/dbraw/zinc/28/32/27/605283227.db2.gz	VCHDSLKKYHZWSO-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2cc(Cl)ccn2)ccc1F	ZINC000834253679	605476904	/nfs/dbraw/zinc/47/69/04/605476904.db2.gz	VECUPMUWRRGSEW-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
O=C([O-])c1ccccc1NNC(=O)C(F)(F)c1ccccc1F	ZINC000833783721	605724779	/nfs/dbraw/zinc/72/47/79/605724779.db2.gz	GHYRBTZLJUSGTO-UHFFFAOYSA-N	-1	0	324.258	2.759	20	50		DFGDRM
CC(=O)[C@@H](C)CCCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833387636	605731647	/nfs/dbraw/zinc/73/16/47/605731647.db2.gz	JIHOOGGHTOVOMB-NSHDSACASA-N	-1	0	306.362	2.613	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccc(F)cc2)c1	ZINC000834267194	605824091	/nfs/dbraw/zinc/82/40/91/605824091.db2.gz	QNTYFSSPQKEBPW-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ncccc2Cl)c1	ZINC000834266812	605845237	/nfs/dbraw/zinc/84/52/37/605845237.db2.gz	JJDQQEYTHZTJOA-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])N1CCCC(=NNC(=O)c2cc3ccccc3o2)CC1	ZINC000834044573	605991898	/nfs/dbraw/zinc/99/18/98/605991898.db2.gz	FZGJPRRDKILCMS-UHFFFAOYSA-N	-1	0	315.329	2.683	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccccc1F	ZINC000834272002	606073851	/nfs/dbraw/zinc/07/38/51/606073851.db2.gz	IVBNPFNNSWEDDX-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
Cc1ccc2oc(C(=O)[N-]NC(=S)N[C@@H](C)C3CC3)cc2c1	ZINC000083675747	398389734	/nfs/dbraw/zinc/38/97/34/398389734.db2.gz	INBIKJHVEWSUJQ-JTQLQIEISA-N	-1	0	317.414	2.649	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)c2sc(C(C)(C)C)nc2C)o1	ZINC000084284723	398397024	/nfs/dbraw/zinc/39/70/24/398397024.db2.gz	BIJGYZXVWADOEX-UHFFFAOYSA-N	-1	0	321.402	2.725	20	50		DFGDRM
CCC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCOCC1	ZINC000279231728	266013346	/nfs/dbraw/zinc/01/33/46/266013346.db2.gz	RLTNYVJLXUPKTI-PTNGSMBKSA-N	-1	0	314.385	2.622	20	50		DFGDRM
CCO/C=C(\C#N)C(=O)Nc1ccc(O)c(COC(C)C)c1	ZINC000292648305	266233225	/nfs/dbraw/zinc/23/32/25/266233225.db2.gz	KWCHZAUPBDRSHN-UKTHLTGXSA-N	-1	0	304.346	2.700	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]O[C@@H]2CCCCO2)cc1	ZINC000195459359	266319888	/nfs/dbraw/zinc/31/98/88/266319888.db2.gz	NVHLJCBGSGWIGJ-WSYSLRRZSA-N	-1	0	316.357	2.567	20	50		DFGDRM
COc1cc(Cl)ccc1C(=O)NN=C1CCC(C(=O)[O-])CC1	ZINC000814789537	598096574	/nfs/dbraw/zinc/09/65/74/598096574.db2.gz	HJEUPQCAEYBYCK-UHFFFAOYSA-N	-1	0	324.764	2.709	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)c2cccc3ncccc32)c1	ZINC000814841354	598201513	/nfs/dbraw/zinc/20/15/13/598201513.db2.gz	NEBWIVHEMQJANK-UHFFFAOYSA-N	-1	0	319.320	2.697	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1	ZINC000740000895	599905139	/nfs/dbraw/zinc/90/51/39/599905139.db2.gz	IRUZXATYSJGXEM-UHFFFAOYSA-N	-1	0	313.182	2.645	20	50		DFGDRM
O=C([O-])[C@@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	ZINC000739550257	600057964	/nfs/dbraw/zinc/05/79/64/600057964.db2.gz	XSRBZUWHFJHARG-NTSWFWBYSA-N	-1	0	323.563	2.811	20	50		DFGDRM
CC[C@H](C(=O)NN=Cc1ccoc1C(=O)[O-])c1ccccc1	ZINC000736850366	600181160	/nfs/dbraw/zinc/18/11/60/600181160.db2.gz	WDHTVQBQZWTGCM-ZDUSSCGKSA-N	-1	0	300.314	2.622	20	50		DFGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2	ZINC000734483252	600626125	/nfs/dbraw/zinc/62/61/25/600626125.db2.gz	NDSCTRMXMZHRDK-RIYZIHGNSA-N	-1	0	324.336	2.857	20	50		DFGDRM
CCOC(=O)C(C#N)=CNc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000829818320	601294294	/nfs/dbraw/zinc/29/42/94/601294294.db2.gz	UZDSXOPJIFDEQJ-FPLPWBNLSA-N	-1	0	323.374	2.521	20	50		DFGDRM
O=C(CCCC[C@H]1CCSS1)N[C@H](C(=O)[O-])C1CC1	ZINC000833097375	601630895	/nfs/dbraw/zinc/63/08/95/601630895.db2.gz	JYZFUPNVZIJHTF-JQWIXIFHSA-N	-1	0	303.449	2.680	20	50		DFGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)no1	ZINC000833063807	601790449	/nfs/dbraw/zinc/79/04/49/601790449.db2.gz	MJJOSSBSNRNIRC-SDQBBNPISA-N	-1	0	306.281	2.827	20	50		DFGDRM
O=C([O-])NCc1ccc(C(=O)NNc2ccccc2Cl)cc1	ZINC000740673573	602204181	/nfs/dbraw/zinc/20/41/81/602204181.db2.gz	JRXIZGLOUIYWRQ-UHFFFAOYSA-N	-1	0	319.748	2.865	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(F)cc2)ccc1F	ZINC000740696393	602497466	/nfs/dbraw/zinc/49/74/66/602497466.db2.gz	RMATUBYMMKCXPO-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
Cc1ccc(C(=O)NNc2ccc(F)cc2)cc1NC(=O)[O-]	ZINC000830224866	603286582	/nfs/dbraw/zinc/28/65/82/603286582.db2.gz	BIXMHKCKTCBBCP-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cccc(F)c2F)cc1	ZINC000832839392	603933394	/nfs/dbraw/zinc/93/33/94/603933394.db2.gz	XBTYOCAPJSQSRO-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)C[C@@H]2CCCN2C(=O)[O-])c(C)c1	ZINC000829996768	603998391	/nfs/dbraw/zinc/99/83/91/603998391.db2.gz	FKAWWEYWVHJVKK-ZDUSSCGKSA-N	-1	0	305.378	2.587	20	50		DFGDRM
CCOc1ccccc1Oc1ccccc1C(=O)NNC(=O)[O-]	ZINC000827465839	604051213	/nfs/dbraw/zinc/05/12/13/604051213.db2.gz	SELGYSJDQPOMOW-UHFFFAOYSA-N	-1	0	316.313	2.790	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cccnc2Cl)cc1	ZINC000832838780	604106808	/nfs/dbraw/zinc/10/68/08/604106808.db2.gz	MRWBQVZVMKRGHK-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
CC(C)(C)[C@@H](NC(=O)NNC(=O)[O-])c1ccc(F)cc1F	ZINC000823760157	604281497	/nfs/dbraw/zinc/28/14/97/604281497.db2.gz	PDPQNUJXDHXBRU-JTQLQIEISA-N	-1	0	301.293	2.534	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000830521077	604579058	/nfs/dbraw/zinc/57/90/58/604579058.db2.gz	BMNHBYNWBSPNHM-KGLIPLIRSA-N	-1	0	319.405	2.854	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000830586462	604579069	/nfs/dbraw/zinc/57/90/69/604579069.db2.gz	NHASRNJVZCKRGH-KBPBESRZSA-N	-1	0	319.405	2.854	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1	ZINC000833309649	604628079	/nfs/dbraw/zinc/62/80/79/604628079.db2.gz	DNIDADPZUHMVOD-BHQIHCQQSA-N	-1	0	304.733	2.716	20	50		DFGDRM
CC(C)[C@H]1CC[C@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1	ZINC000833508344	604803048	/nfs/dbraw/zinc/80/30/48/604803048.db2.gz	FMDVXQSONGWXLR-HAQNSBGRSA-N	-1	0	305.378	2.685	20	50		DFGDRM
CC1(C)CCC(CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1	ZINC000833557340	604805389	/nfs/dbraw/zinc/80/53/89/604805389.db2.gz	PQESZQHWVODKIO-UHFFFAOYSA-N	-1	0	305.378	2.829	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCCc2cccc(C=NNC(=O)[O-])c21	ZINC000823805896	604826737	/nfs/dbraw/zinc/82/67/37/604826737.db2.gz	YFZHKVISGLCCMX-UHFFFAOYSA-N	-1	0	319.361	2.976	20	50		DFGDRM
O=C([O-])N1CCCc2cccc(C=NNC(=O)C3CCCC3)c21	ZINC000831735833	604828283	/nfs/dbraw/zinc/82/82/83/604828283.db2.gz	BQYHELGBMDTVHH-UHFFFAOYSA-N	-1	0	315.373	2.758	20	50		DFGDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1cccc2c1CCCC2	ZINC000833481129	604939089	/nfs/dbraw/zinc/93/90/89/604939089.db2.gz	UHYJXUCZCIFYTR-OAHLLOKOSA-N	-1	0	319.405	2.691	20	50		DFGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1cccs1	ZINC000833411558	605283057	/nfs/dbraw/zinc/28/30/57/605283057.db2.gz	JBGPPGCDIBMFNJ-UHFFFAOYSA-N	-1	0	304.371	2.867	20	50		DFGDRM
O=C([O-])N[C@H](CC(=O)NNc1ccc(F)cc1)c1ccccc1	ZINC000832104138	605578213	/nfs/dbraw/zinc/57/82/13/605578213.db2.gz	DHALBMAAFUGVGI-CQSZACIVSA-N	-1	0	317.320	2.668	20	50		DFGDRM
O=C([O-])N1CCc2cc(NC(=O)NNc3ccccc3)ccc21	ZINC000834048336	605654828	/nfs/dbraw/zinc/65/48/28/605654828.db2.gz	KQBOXQCFVJHINE-UHFFFAOYSA-N	-1	0	312.329	2.876	20	50		DFGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C#N)cc1	ZINC000833522171	605708777	/nfs/dbraw/zinc/70/87/77/605708777.db2.gz	XPXONUZVXRTPLE-NSHDSACASA-N	-1	0	324.340	2.644	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)c1ccccc1	ZINC000834044625	605721284	/nfs/dbraw/zinc/72/12/84/605721284.db2.gz	GXGLXOBCMVHSNT-UKRRQHHQSA-N	-1	0	315.373	2.715	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)C1CCCC1	ZINC000834044847	605722721	/nfs/dbraw/zinc/72/27/21/605722721.db2.gz	JRSKVXCTYZTYOM-JSGCOSHPSA-N	-1	0	307.394	2.591	20	50		DFGDRM
C[C@H](OC1CCCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833535173	605735521	/nfs/dbraw/zinc/73/55/21/605735521.db2.gz	DYKCYKLVIZHVOC-LBPRGKRZSA-N	-1	0	320.389	2.956	20	50		DFGDRM
C[C@H]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607799	605741287	/nfs/dbraw/zinc/74/12/87/605741287.db2.gz	GZUODPHZWYKRJN-WCQYABFASA-N	-1	0	305.378	2.837	20	50		DFGDRM
CC1(C)CCC(NC(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC000833558836	605743827	/nfs/dbraw/zinc/74/38/27/605743827.db2.gz	NHDOQIUJZOLKKX-UHFFFAOYSA-N	-1	0	305.378	2.980	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1ccc(Cl)cc1)c1ccccc1	ZINC000834004368	605763024	/nfs/dbraw/zinc/76/30/24/605763024.db2.gz	XNNSKGIULQOFCQ-UHFFFAOYSA-N	-1	0	319.748	2.968	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1cc(Cl)ccc1Cl	ZINC000834234001	605926340	/nfs/dbraw/zinc/92/63/40/605926340.db2.gz	HNBFFIYSJPVYOY-UHFFFAOYSA-N	-1	0	320.176	2.874	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccccc2Cl)CC1	ZINC000834047317	605963072	/nfs/dbraw/zinc/96/30/72/605963072.db2.gz	DRNMMAZDSIGWGX-JTQLQIEISA-N	-1	0	323.780	2.563	20	50		DFGDRM
Cc1cc(C(=O)NN=C2CCCCC[C@@H]2NC(=O)[O-])c(C)o1	ZINC000833897705	606077612	/nfs/dbraw/zinc/07/76/12/606077612.db2.gz	DXBIHJFZCAXEJR-LBPRGKRZSA-N	-1	0	307.350	2.583	20	50		DFGDRM
CCCO[N-]C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	ZINC000491005387	267026330	/nfs/dbraw/zinc/02/63/30/267026330.db2.gz	AZUPDMICVYKDJD-BPKVKKHESA-N	-1	0	319.405	2.677	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCCOCC)c1C	ZINC000490879113	267046495	/nfs/dbraw/zinc/04/64/95/267046495.db2.gz	QKGSGGLBLOFIOB-WJDWOHSUSA-N	-1	0	319.405	2.506	20	50		DFGDRM
Cc1c(/C=C(\C#N)C(=O)Nc2cccc([O-])c2F)cc(C#N)n1C	ZINC000179149864	267273766	/nfs/dbraw/zinc/27/37/66/267273766.db2.gz	MOQPEVSHONWWOT-WUXMJOGZSA-N	-1	0	324.315	2.596	20	50		DFGDRM
CCCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCCOC)c1C	ZINC000490968884	269650415	/nfs/dbraw/zinc/65/04/15/269650415.db2.gz	CNVHVISAGCBSKY-WJDWOHSUSA-N	-1	0	319.405	2.506	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)c2cc3c(s2)CCC3)CC1	ZINC000814739010	598095794	/nfs/dbraw/zinc/09/57/94/598095794.db2.gz	XBHJVMOZNPGXED-UHFFFAOYSA-N	-1	0	306.387	2.597	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)Cc2c[nH]c3ccccc23)c1	ZINC000814747106	598201036	/nfs/dbraw/zinc/20/10/36/598201036.db2.gz	JDDCMQFYCNOQGP-UHFFFAOYSA-N	-1	0	321.336	2.559	20	50		DFGDRM
CSc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1	ZINC000738200120	600479997	/nfs/dbraw/zinc/47/99/97/600479997.db2.gz	SRRLUMSZDMPTBK-UHFFFAOYSA-N	-1	0	323.282	2.827	20	50		DFGDRM
CC(C)CC(=O)NN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000826753769	600734101	/nfs/dbraw/zinc/73/41/01/600734101.db2.gz	FRKSIRLJVYGCEV-GFCCVEGCSA-N	-1	0	319.188	2.786	20	50		DFGDRM
Cc1ccc([C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1	ZINC000832920254	600974141	/nfs/dbraw/zinc/97/41/41/600974141.db2.gz	ABDBZKDWMOSDFH-SECBINFHSA-N	-1	0	319.269	2.904	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1	ZINC000833280860	601139051	/nfs/dbraw/zinc/13/90/51/601139051.db2.gz	QKAZEJIINOBBSH-UHFFFAOYSA-N	-1	0	320.349	2.510	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)[nH]1	ZINC000749814430	601336945	/nfs/dbraw/zinc/33/69/45/601336945.db2.gz	CIILULVSZGXFDI-UHFFFAOYSA-N	-1	0	321.336	2.559	20	50		DFGDRM
CC(C)OC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000824387223	603808333	/nfs/dbraw/zinc/80/83/33/603808333.db2.gz	BZGKZACYKVWEPP-MDWZMJQESA-N	-1	0	300.314	2.586	20	50		DFGDRM
CC(C)(C)OC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000823822606	603817743	/nfs/dbraw/zinc/81/77/43/603817743.db2.gz	NSJRGDLTRTVYLX-UHFFFAOYSA-N	-1	0	305.334	2.586	20	50		DFGDRM
O=C([O-])N1CCC(C=NNC(=O)c2cc3ccccc3o2)CC1	ZINC000831731374	603861293	/nfs/dbraw/zinc/86/12/93/603861293.db2.gz	WSGNXMKAZPJYIA-UHFFFAOYSA-N	-1	0	315.329	2.538	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1	ZINC000829991113	603998460	/nfs/dbraw/zinc/99/84/60/603998460.db2.gz	NPKNIDZTJGOTRW-KBPBESRZSA-N	-1	0	319.405	2.881	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)CCN(C(=O)[O-])C(C)C)c(C)c1	ZINC000829998800	603998484	/nfs/dbraw/zinc/99/84/84/603998484.db2.gz	XOTSMFWTBULFSR-UHFFFAOYSA-N	-1	0	307.394	2.833	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824678585	604577999	/nfs/dbraw/zinc/57/79/99/604577999.db2.gz	CJYGIYNDACOUTA-OLZOCXBDSA-N	-1	0	305.378	2.546	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1	ZINC000830521075	604578875	/nfs/dbraw/zinc/57/88/75/604578875.db2.gz	BMNHBYNWBSPNHM-KBPBESRZSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(=NNC(=O)CCc1ccccc1)c1ccc(C(=O)[O-])cc1	ZINC000749746102	604638032	/nfs/dbraw/zinc/63/80/32/604638032.db2.gz	ZWCVROKZCWAHDY-UHFFFAOYSA-N	-1	0	310.353	2.858	20	50		DFGDRM
O=C([O-])Cc1ccc(NC(=O)NNc2ncccc2Cl)cc1	ZINC000833776142	604731810	/nfs/dbraw/zinc/73/18/10/604731810.db2.gz	WRTPNVCOPRCHMM-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cccc(Cl)c1	ZINC000833408472	605038511	/nfs/dbraw/zinc/03/85/11/605038511.db2.gz	YVOBWUGDSYJJNW-SNVBAGLBSA-N	-1	0	319.748	2.551	20	50		DFGDRM
Cc1cc(OC(=O)C2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-]	ZINC000833746686	605118243	/nfs/dbraw/zinc/11/82/43/605118243.db2.gz	GJLPZODDLYVMQE-UHFFFAOYSA-N	-1	0	307.302	2.700	20	50		DFGDRM
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2cccc(C(=O)[O-])c2)CCO1	ZINC000833471776	605130663	/nfs/dbraw/zinc/13/06/63/605130663.db2.gz	QCGYRHNUUXNYKL-WFASDCNBSA-N	-1	0	320.389	2.669	20	50		DFGDRM
CC1=C(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCO1	ZINC000833576307	605247795	/nfs/dbraw/zinc/24/77/95/605247795.db2.gz	ZOUOTPGBYHCMDS-UHFFFAOYSA-N	-1	0	310.737	2.566	20	50		DFGDRM
Cc1ccnc(NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1	ZINC000830611374	605326787	/nfs/dbraw/zinc/32/67/87/605326787.db2.gz	JLLRBHOBVLBOPQ-UHFFFAOYSA-N	-1	0	300.318	2.545	20	50		DFGDRM
CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CCCc1cccs1	ZINC000833802760	605625001	/nfs/dbraw/zinc/62/50/01/605625001.db2.gz	VRYNUPINGBDLQY-SNVBAGLBSA-N	-1	0	311.407	2.609	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1	ZINC000834251017	605658648	/nfs/dbraw/zinc/65/86/48/605658648.db2.gz	LNDVOHVASPCMPD-UHFFFAOYSA-N	-1	0	315.260	2.546	20	50		DFGDRM
O=C([O-])NNC(=O)NCc1ccc(Sc2ccccc2)cc1	ZINC000834250290	605660658	/nfs/dbraw/zinc/66/06/58/605660658.db2.gz	GBPFWZDSRDTWQB-UHFFFAOYSA-N	-1	0	317.370	2.820	20	50		DFGDRM
C[C@@H]1C[C@@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC(C)(C)C1	ZINC000833588562	605720599	/nfs/dbraw/zinc/72/05/99/605720599.db2.gz	GCLGKULXISNPKO-ZYHUDNBSSA-N	-1	0	305.378	2.685	20	50		DFGDRM
CC(C)Cc1nc(C(=O)NNc2cccc(C(=O)[O-])c2)cs1	ZINC000833491956	605732631	/nfs/dbraw/zinc/73/26/31/605732631.db2.gz	CCDSCRGZQNTRLL-UHFFFAOYSA-N	-1	0	319.386	2.797	20	50		DFGDRM
O=C([O-])NC1(C(=O)NNc2cccc3c2CCCC3)CCCC1	ZINC000834153425	605736146	/nfs/dbraw/zinc/73/61/46/605736146.db2.gz	DVERODBHHXMZCX-UHFFFAOYSA-N	-1	0	317.389	2.589	20	50		DFGDRM
C[C@@H]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607800	605741329	/nfs/dbraw/zinc/74/13/29/605741329.db2.gz	GZUODPHZWYKRJN-YPMHNXCESA-N	-1	0	305.378	2.837	20	50		DFGDRM
C[C@@H]1CCC[C@@H](C)C1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613538	605747099	/nfs/dbraw/zinc/74/70/99/605747099.db2.gz	YEADQUVHNSTANL-GHMZBOCLSA-N	-1	0	305.378	2.836	20	50		DFGDRM
C[C@H]1CCC[C@H](C)C1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613540	605747304	/nfs/dbraw/zinc/74/73/04/605747304.db2.gz	YEADQUVHNSTANL-QWRGUYRKSA-N	-1	0	305.378	2.836	20	50		DFGDRM
O=C([O-])N[C@H]1CCCCCC1=NNC(=O)c1ccccc1F	ZINC000834182766	606079162	/nfs/dbraw/zinc/07/91/62/606079162.db2.gz	JGOBOXLESKBWHF-LBPRGKRZSA-N	-1	0	307.325	2.512	20	50		DFGDRM
Cc1ccc2oc(C(=O)[N-]NC(=S)N[C@H](C)C3CC3)cc2c1	ZINC000083675749	398389799	/nfs/dbraw/zinc/38/97/99/398389799.db2.gz	INBIKJHVEWSUJQ-SNVBAGLBSA-N	-1	0	317.414	2.649	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@H]2C[C@H]2C2CCCCC2)o1	ZINC000084161258	398395130	/nfs/dbraw/zinc/39/51/30/398395130.db2.gz	SCDSQLMYLJHTPQ-STQMWFEESA-N	-1	0	305.378	2.501	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1	ZINC000084284797	398397074	/nfs/dbraw/zinc/39/70/74/398397074.db2.gz	MUSMCXICPDMGIF-VHSXEESVSA-N	-1	0	318.295	2.718	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)o1	ZINC000084291506	398397188	/nfs/dbraw/zinc/39/71/88/398397188.db2.gz	JIVCDFIMIRXVSQ-QWRGUYRKSA-N	-1	0	304.371	2.523	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)o1	ZINC000084380373	398398148	/nfs/dbraw/zinc/39/81/48/398398148.db2.gz	RBLVBZCKLQTHFI-UWVGGRQHSA-N	-1	0	318.295	2.718	20	50		DFGDRM
CC(C)CC(=O)N[N-]C(=O)c1csc(Cc2ccccc2)n1	ZINC000032969553	398539751	/nfs/dbraw/zinc/53/97/51/398539751.db2.gz	BABLHFMOTZLXIK-UHFFFAOYSA-N	-1	0	317.414	2.541	20	50		DFGDRM
CCCc1nc(C)c(C(=O)[N-]NC(=O)c2cc(C)oc2C)s1	ZINC000042818136	398603775	/nfs/dbraw/zinc/60/37/75/398603775.db2.gz	XUGXQRWMVPYYDE-UHFFFAOYSA-N	-1	0	321.402	2.689	20	50		DFGDRM
COC(=O)N[N-]C(=O)c1csc(-c2ccc(Cl)s2)n1	ZINC000158693993	398959444	/nfs/dbraw/zinc/95/94/44/398959444.db2.gz	NCRXDZYDVBJVIM-UHFFFAOYSA-N	-1	0	317.779	2.526	20	50		DFGDRM
COC(=O)NNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-]	ZINC000158681595	398959689	/nfs/dbraw/zinc/95/96/89/398959689.db2.gz	CTLSGCPDWIWGII-UHFFFAOYSA-N	-1	0	320.732	2.713	20	50		DFGDRM
CCOC(=O)N[N-]C(=O)c1csc(-c2ccc(C)cc2C)n1	ZINC000064023185	399214666	/nfs/dbraw/zinc/21/46/66/399214666.db2.gz	YTRKTRKCIBNWIN-UHFFFAOYSA-N	-1	0	319.386	2.818	20	50		DFGDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C(\C#N)C(=O)NC1CCCC1	ZINC000490691442	270002363	/nfs/dbraw/zinc/00/23/63/270002363.db2.gz	FSYDEPJDNVKXAJ-RIYZIHGNSA-N	-1	0	312.369	2.967	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1Cl	ZINC000490696998	267008415	/nfs/dbraw/zinc/00/84/15/267008415.db2.gz	PPVCVWDXXXPASM-FLIBITNWSA-N	-1	0	306.749	2.861	20	50		DFGDRM
O=C([O-])[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000769512193	597503864	/nfs/dbraw/zinc/50/38/64/597503864.db2.gz	WBUKUXWVONOHBD-WDEREUQCSA-N	-1	0	303.449	2.634	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)c2cc3ccccc3o2)CC1	ZINC000814867267	598097255	/nfs/dbraw/zinc/09/72/55/598097255.db2.gz	WWKPOLIDUQHCOB-UHFFFAOYSA-N	-1	0	300.314	2.793	20	50		DFGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccc2c(c1)OCO2	ZINC000774120435	598200813	/nfs/dbraw/zinc/20/08/13/598200813.db2.gz	UOBUPTKENBCAFI-VGOFMYFVSA-N	-1	0	321.288	2.903	20	50		DFGDRM
O=C([O-])c1ccc(CCC(=O)NNc2cccc(F)c2F)cc1	ZINC000833101946	600781983	/nfs/dbraw/zinc/78/19/83/600781983.db2.gz	HZZUECZAKZHINN-UHFFFAOYSA-N	-1	0	320.295	2.739	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)c2ccncc2Cl)ccc1[N+](=O)[O-]	ZINC000833352886	600818491	/nfs/dbraw/zinc/81/84/91/600818491.db2.gz	CLAZAXRWNWEQDG-UHFFFAOYSA-N	-1	0	322.660	2.561	20	50		DFGDRM
Cc1cc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000832899449	601148136	/nfs/dbraw/zinc/14/81/36/601148136.db2.gz	OXBIUXQJRCDBFF-MNOVXSKESA-N	-1	0	307.302	2.700	20	50		DFGDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	ZINC000833183907	601212604	/nfs/dbraw/zinc/21/26/04/601212604.db2.gz	LYCVDSMJBVHRQD-IUCAKERBSA-N	-1	0	314.744	2.813	20	50		DFGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	ZINC000833064263	601789499	/nfs/dbraw/zinc/78/94/99/601789499.db2.gz	QLPGZPDWQNHMQS-YHYXMXQVSA-N	-1	0	315.716	2.912	20	50		DFGDRM
O=C([O-])NNC(=O)NCc1ccccc1-c1ccc(Cl)cc1	ZINC000740684176	602301779	/nfs/dbraw/zinc/30/17/79/602301779.db2.gz	WLSRZZMVPHFWKY-UHFFFAOYSA-N	-1	0	319.748	2.989	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@@H](Cc1ccccc1)c1cccs1	ZINC000740684156	602976718	/nfs/dbraw/zinc/97/67/18/602976718.db2.gz	VGGTZIMGMJHSGV-NSHDSACASA-N	-1	0	305.359	2.514	20	50		DFGDRM
C[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)NC(=O)[O-]	ZINC000824671016	603285888	/nfs/dbraw/zinc/28/58/88/603285888.db2.gz	DENZNRQTWUGNTI-ZDUSSCGKSA-N	-1	0	313.357	2.902	20	50		DFGDRM
Cc1cc(C#N)ccc1Oc1ccc(C(=O)NNC(=O)[O-])cc1	ZINC000829904446	603613999	/nfs/dbraw/zinc/61/39/99/603613999.db2.gz	LXEDDYPTJOQPJI-UHFFFAOYSA-N	-1	0	311.297	2.571	20	50		DFGDRM
CN(C(=O)[O-])[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000827815804	604214473	/nfs/dbraw/zinc/21/44/73/604214473.db2.gz	FXQZIAXJGFPFPY-GFKDLEGOSA-N	-1	0	303.337	2.764	20	50		DFGDRM
CC(=NNC(=O)c1ccc(O)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814692005	604632730	/nfs/dbraw/zinc/63/27/30/604632730.db2.gz	WENJOFDQXOWYJD-LLVKDONJSA-N	-1	0	306.362	2.779	20	50		DFGDRM
CC(=NNC(=O)Cc1ccccc1C)c1ccc(C(=O)[O-])cc1	ZINC000763183893	604640169	/nfs/dbraw/zinc/64/01/69/604640169.db2.gz	XVZUIZRLYVRLSU-UHFFFAOYSA-N	-1	0	310.353	2.776	20	50		DFGDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)cc1	ZINC000833405290	605037764	/nfs/dbraw/zinc/03/77/64/605037764.db2.gz	CTQOTFMKUKTKQU-JTQLQIEISA-N	-1	0	319.748	2.551	20	50		DFGDRM
CC(C)CC(=O)NN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833473132	605061802	/nfs/dbraw/zinc/06/18/02/605061802.db2.gz	HHQKVTKFRPMGCN-GFCCVEGCSA-N	-1	0	319.188	2.786	20	50		DFGDRM
CC(C)[C@H]1C[C@H](CC(=O)NNc2ccccc2C(=O)[O-])CCO1	ZINC000833469768	605128912	/nfs/dbraw/zinc/12/89/12/605128912.db2.gz	CGHMVDGYZAHEGF-IUODEOHRSA-N	-1	0	320.389	2.669	20	50		DFGDRM
C[C@H](CC(=O)NN(C)c1ccccc1)C1CCN(C(=O)[O-])CC1	ZINC000824672216	605244793	/nfs/dbraw/zinc/24/47/93/605244793.db2.gz	TVIXGYPPSGEQMQ-CYBMUJFWSA-N	-1	0	319.405	2.570	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	ZINC000834255676	605476808	/nfs/dbraw/zinc/47/68/08/605476808.db2.gz	KUNHMSFLSPAKQM-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
C[C@@H](C=NNC(=O)NCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1	ZINC000833515618	605585395	/nfs/dbraw/zinc/58/53/95/605585395.db2.gz	KFQQCXQEKHKIJE-GFCCVEGCSA-N	-1	0	319.405	2.532	20	50		DFGDRM
O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccccc2Cl)C1	ZINC000834169312	605723472	/nfs/dbraw/zinc/72/34/72/605723472.db2.gz	LVMCJYGEAFGGNN-UWVGGRQHSA-N	-1	0	311.769	2.610	20	50		DFGDRM
O=C([O-])Nc1ccccc1C(=O)NNc1ccc(F)cc1F	ZINC000834270028	605723524	/nfs/dbraw/zinc/72/35/24/605723524.db2.gz	RYNUKXZHZPLKIF-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
CCOc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)ccc1C	ZINC000833663565	605731010	/nfs/dbraw/zinc/73/10/10/605731010.db2.gz	RRADHTQBTPJWLV-UHFFFAOYSA-N	-1	0	314.341	2.849	20	50		DFGDRM
C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H](C)C1	ZINC000833603442	605744458	/nfs/dbraw/zinc/74/44/58/605744458.db2.gz	LELJXEVSVSBZKO-UHIISALHSA-N	-1	0	305.378	2.836	20	50		DFGDRM
CC(C)CN(CCC(=O)[O-])C(=O)[C@H](Br)C(C)(C)C	ZINC000833487816	605776646	/nfs/dbraw/zinc/77/66/46/605776646.db2.gz	JDWYYELRTKGIGW-NSHDSACASA-N	-1	0	322.243	2.755	20	50		DFGDRM
Cc1cc(C(=O)NN=C2CCCCC[C@H]2NC(=O)[O-])c(C)o1	ZINC000833897700	606077435	/nfs/dbraw/zinc/07/74/35/606077435.db2.gz	DXBIHJFZCAXEJR-GFCCVEGCSA-N	-1	0	307.350	2.583	20	50		DFGDRM
Cc1ccc2oc(C(=O)[N-]NC(=O)NC3CCCC3)cc2c1	ZINC000065919129	398351096	/nfs/dbraw/zinc/35/10/96/398351096.db2.gz	RIUDWYNJQWUBAT-UHFFFAOYSA-N	-1	0	301.346	2.628	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1	ZINC000028605463	264018168	/nfs/dbraw/zinc/01/81/68/264018168.db2.gz	XQRIOKWYYJUPAX-MHWRWJLKSA-N	-1	0	306.321	2.608	20	50		DFGDRM
CCCN([N-]C(=O)c1cc(C#N)cs1)C(=O)OC(C)(C)C	ZINC000286572081	266052955	/nfs/dbraw/zinc/05/29/55/266052955.db2.gz	RPEIALIRVDBLIT-UHFFFAOYSA-N	-1	0	309.391	2.912	20	50		DFGDRM
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000491134036	267247153	/nfs/dbraw/zinc/24/71/53/267247153.db2.gz	QSYHWMWCELAKKQ-NTEUORMPSA-N	-1	0	321.336	2.888	20	50		DFGDRM
CC(C)CNC(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1Cl	ZINC000490694726	269609770	/nfs/dbraw/zinc/60/97/70/269609770.db2.gz	LSUUDWNIAITFBW-WDZFZDKYSA-N	-1	0	306.749	2.717	20	50		DFGDRM
CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)[O-]	ZINC000221414161	597185014	/nfs/dbraw/zinc/18/50/14/597185014.db2.gz	RTTUGKYFSHUCBM-ZYHUDNBSSA-N	-1	0	305.465	2.926	20	50		DFGDRM
Cc1ccc([C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1	ZINC000832920255	600974194	/nfs/dbraw/zinc/97/41/94/600974194.db2.gz	ABDBZKDWMOSDFH-VIFPVBQESA-N	-1	0	319.269	2.904	20	50		DFGDRM
CC1(C)C(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1(C)C	ZINC000828046215	600996720	/nfs/dbraw/zinc/99/67/20/600996720.db2.gz	PSJBVIPLCAMRFP-UHFFFAOYSA-N	-1	0	307.302	2.881	20	50		DFGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)no1	ZINC000833062183	601331136	/nfs/dbraw/zinc/33/11/36/601331136.db2.gz	AFELHUBQDHDNNF-FLIBITNWSA-N	-1	0	306.281	2.827	20	50		DFGDRM
O=C(CCCC[C@H]1CCSS1)N[C@@H](C(=O)[O-])C1CC1	ZINC000833097363	601630824	/nfs/dbraw/zinc/63/08/24/601630824.db2.gz	JYZFUPNVZIJHTF-CMPLNLGQSA-N	-1	0	303.449	2.680	20	50		DFGDRM
Cc1ccccc1NC(=O)NN=Cc1ccc(NC(=O)[O-])nc1	ZINC000830587009	603486661	/nfs/dbraw/zinc/48/66/61/603486661.db2.gz	QZAVPVIPVFXPHY-UHFFFAOYSA-N	-1	0	313.317	2.636	20	50		DFGDRM
Cc1cccc(NNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1	ZINC000830523007	603831820	/nfs/dbraw/zinc/83/18/20/603831820.db2.gz	WGNFFLQWIZESBX-LQDVMPOASA-N	-1	0	317.389	2.749	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1	ZINC000829991114	603998358	/nfs/dbraw/zinc/99/83/58/603998358.db2.gz	NPKNIDZTJGOTRW-KGLIPLIRSA-N	-1	0	319.405	2.881	20	50		DFGDRM
CC(=NNC(=O)c1ccccc1C)[C@H]1CCCCN1C(=O)[O-]	ZINC000823534470	604088875	/nfs/dbraw/zinc/08/88/75/604088875.db2.gz	XYRAHPBNXNKTIE-CQSZACIVSA-N	-1	0	303.362	2.633	20	50		DFGDRM
C[C@H](CC(=O)NN(C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824671014	604578095	/nfs/dbraw/zinc/57/80/95/604578095.db2.gz	DEIZYWLRUXUCEL-ZIAGYGMSSA-N	-1	0	319.405	2.570	20	50		DFGDRM
CC(=NNC(=O)c1scnc1C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814838785	604638905	/nfs/dbraw/zinc/63/89/05/604638905.db2.gz	BKFXIIBUDAEIOR-VIFPVBQESA-N	-1	0	311.407	2.838	20	50		DFGDRM
COc1ccccc1C(=O)NN=C(C)c1ccc(C(=O)[O-])cc1	ZINC000731487488	604639554	/nfs/dbraw/zinc/63/95/54/604639554.db2.gz	XXVRMYUQMVFTPR-UHFFFAOYSA-N	-1	0	312.325	2.547	20	50		DFGDRM
O=C([O-])c1ccc(=NNC(=O)CCc2cccc(Cl)c2)[nH]c1	ZINC000833763772	604801722	/nfs/dbraw/zinc/80/17/22/604801722.db2.gz	FXNKHDAYDJJVTR-UHFFFAOYSA-N	-1	0	319.748	2.509	20	50		DFGDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)cc1Cl	ZINC000833468510	604934906	/nfs/dbraw/zinc/93/49/06/604934906.db2.gz	PHLGSRMLCGWDNV-SNVBAGLBSA-N	-1	0	320.176	2.729	20	50		DFGDRM
COc1cc(F)cc(NNC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000833728491	604941716	/nfs/dbraw/zinc/94/17/16/604941716.db2.gz	FKNXNNFNXBGGLA-UHFFFAOYSA-N	-1	0	319.292	2.681	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)[O-]	ZINC000833438874	605000185	/nfs/dbraw/zinc/00/01/85/605000185.db2.gz	GVKDSNVRRLEVPP-ZYHUDNBSSA-N	-1	0	311.382	2.810	20	50		DFGDRM
COCCC[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833725151	605249409	/nfs/dbraw/zinc/24/94/09/605249409.db2.gz	PRMCDRICCCYWKI-SECBINFHSA-N	-1	0	314.769	2.544	20	50		DFGDRM
C[C@H](OC1CCCCCC1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833535924	605260446	/nfs/dbraw/zinc/26/04/46/605260446.db2.gz	MTYKHNIQKXYCLN-LBPRGKRZSA-N	-1	0	320.389	2.956	20	50		DFGDRM
CC(=NNC(=O)NCC(=O)[O-])c1ccc(-c2ccccc2)s1	ZINC000833384278	605588927	/nfs/dbraw/zinc/58/89/27/605588927.db2.gz	GGZUQCHIHMOAOJ-UHFFFAOYSA-N	-1	0	317.370	2.523	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NN=c1[nH]ccc2sccc21	ZINC000833455703	605709048	/nfs/dbraw/zinc/70/90/48/605709048.db2.gz	OUNRBKUSCYSCIZ-UHFFFAOYSA-N	-1	0	307.375	2.630	20	50		DFGDRM
CCc1csc(NC(=O)NNc2cccc(C(=O)[O-])c2)n1	ZINC000833676484	605713677	/nfs/dbraw/zinc/71/36/77/605713677.db2.gz	NRXFFEZLHWSSDK-UHFFFAOYSA-N	-1	0	306.347	2.552	20	50		DFGDRM
C[C@@H](OC1CCCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833535168	605735657	/nfs/dbraw/zinc/73/56/57/605735657.db2.gz	DYKCYKLVIZHVOC-GFCCVEGCSA-N	-1	0	320.389	2.956	20	50		DFGDRM
CC(C)[C@H](NC(=O)NNC(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833792719	605754981	/nfs/dbraw/zinc/75/49/81/605754981.db2.gz	MYIVDFXZFLDQTO-JTQLQIEISA-N	-1	0	319.283	2.884	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cccc(F)c2)c1	ZINC000834266831	605833982	/nfs/dbraw/zinc/83/39/82/605833982.db2.gz	JWVHRZQEXOMIDA-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1cccc2ccccc21	ZINC000834169003	605860787	/nfs/dbraw/zinc/86/07/87/605860787.db2.gz	KNNRGBVWHXDQLI-CQSZACIVSA-N	-1	0	311.341	2.746	20	50		DFGDRM
O=C([O-])NNC(=O)c1cccc(F)c1Sc1ccccc1	ZINC000834251355	605862807	/nfs/dbraw/zinc/86/28/07/605862807.db2.gz	NXFWZDOOEVSRRT-UHFFFAOYSA-N	-1	0	306.318	2.889	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(F)cc1F	ZINC000834271997	606073603	/nfs/dbraw/zinc/07/36/03/606073603.db2.gz	INBSCBBUJOWTPW-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)o1	ZINC000084291503	398397469	/nfs/dbraw/zinc/39/74/69/398397469.db2.gz	JIVCDFIMIRXVSQ-WDEREUQCSA-N	-1	0	304.371	2.523	20	50		DFGDRM
N#C/C(=C/c1ccc([O-])c(Cl)c1)C(=O)NCc1ccco1	ZINC000047080667	264016311	/nfs/dbraw/zinc/01/63/11/264016311.db2.gz	DWMBDOAIXZVAOH-WDZFZDKYSA-N	-1	0	302.717	2.862	20	50		DFGDRM
CN(Cc1ccccc1)C(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1	ZINC000490694322	267319342	/nfs/dbraw/zinc/31/93/42/267319342.db2.gz	KOQNHHCNFMOQIE-GZTJUZNOSA-N	-1	0	320.348	2.950	20	50		DFGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)NCc1ccccc1	ZINC000491163778	268155662	/nfs/dbraw/zinc/15/56/62/268155662.db2.gz	YDTUMRUXMJZFSW-MHWRWJLKSA-N	-1	0	306.321	2.608	20	50		DFGDRM
O=C([O-])c1cccc(C(=O)NNc2cccc3cnccc32)c1	ZINC000821549838	598147683	/nfs/dbraw/zinc/14/76/83/598147683.db2.gz	URCKAUWSZPTGLB-UHFFFAOYSA-N	-1	0	307.309	2.690	20	50		DFGDRM
O=C([O-])c1cccc(C(=O)NNc2ccc(OC(F)F)cc2)c1	ZINC000821549984	598147690	/nfs/dbraw/zinc/14/76/90/598147690.db2.gz	ZNDDWRJVHYQVDA-UHFFFAOYSA-N	-1	0	322.267	2.743	20	50		DFGDRM
O=C([O-])CCCCNC(=O)NNc1ccccc1C(F)(F)F	ZINC000821518748	598170296	/nfs/dbraw/zinc/17/02/96/598170296.db2.gz	DDYAWILLEZNWIK-UHFFFAOYSA-N	-1	0	319.283	2.586	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)c2cc3ccccc3o2)c1	ZINC000814867287	598201531	/nfs/dbraw/zinc/20/15/31/598201531.db2.gz	XSNNBXBSFGPZQM-UHFFFAOYSA-N	-1	0	308.293	2.895	20	50		DFGDRM
O=C([O-])NCCCC(=O)NN(c1ccccc1)c1ccccc1	ZINC000739957337	599706540	/nfs/dbraw/zinc/70/65/40/599706540.db2.gz	RGGJNQBZIJRAHT-UHFFFAOYSA-N	-1	0	313.357	2.904	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)Cc2ccccc2F)ccc1[N+](=O)[O-]	ZINC000739349255	600458793	/nfs/dbraw/zinc/45/87/93/600458793.db2.gz	IRRCIWCURAOXPT-UHFFFAOYSA-N	-1	0	319.244	2.580	20	50		DFGDRM
O=C([O-])[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	ZINC000833183906	601212532	/nfs/dbraw/zinc/21/25/32/601212532.db2.gz	LYCVDSMJBVHRQD-DTWKUNHWSA-N	-1	0	314.744	2.813	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OC/C=C(\C)C(=O)[O-])cc1	ZINC000830064737	601411209	/nfs/dbraw/zinc/41/12/09/601411209.db2.gz	VLVUYXZWZDQUOG-HNXSEKISSA-N	-1	0	315.325	2.566	20	50		DFGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccccc1Cl	ZINC000833063909	601444896	/nfs/dbraw/zinc/44/48/96/601444896.db2.gz	NKMOBQUVRJPZCF-CLFYSBASSA-N	-1	0	315.716	2.912	20	50		DFGDRM
Cc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)o1	ZINC000832911712	601500187	/nfs/dbraw/zinc/50/01/87/601500187.db2.gz	LMYLVZBTHYAGKP-UHFFFAOYSA-N	-1	0	311.297	2.531	20	50		DFGDRM
C[C@H]1CC/C(=C/C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000828206755	601505397	/nfs/dbraw/zinc/50/53/97/601505397.db2.gz	CFRMHPPYTZJUAJ-CBFJXKFUSA-N	-1	0	305.286	2.945	20	50		DFGDRM
O=C([O-])CN(C(=O)CCCC[C@@H]1CCSS1)C1CC1	ZINC000833244487	601672531	/nfs/dbraw/zinc/67/25/31/601672531.db2.gz	UQPHIMHJHYPKKH-LLVKDONJSA-N	-1	0	303.449	2.776	20	50		DFGDRM
CC(C)(CNC(=O)CCCC[C@H]1CCSS1)C(=O)[O-]	ZINC000826559420	601707065	/nfs/dbraw/zinc/70/70/65/601707065.db2.gz	YREVFKKPVTVKMK-JTQLQIEISA-N	-1	0	305.465	2.928	20	50		DFGDRM
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H]1C(=O)[O-]	ZINC000817870620	601717718	/nfs/dbraw/zinc/71/77/18/601717718.db2.gz	CYOIIEJEWPVWOR-IJLUTSLNSA-N	-1	0	317.476	2.880	20	50		DFGDRM
O=C([O-])c1cc(C=NNC(=O)c2cccc3ccccc32)c[nH]1	ZINC000814854266	601797527	/nfs/dbraw/zinc/79/75/27/601797527.db2.gz	GNFYXPFQKZWKIR-UHFFFAOYSA-N	-1	0	307.309	2.630	20	50		DFGDRM
COc1ccc(NNC(=O)c2cccc(NC(=O)[O-])c2)cc1	ZINC000739925176	602453151	/nfs/dbraw/zinc/45/31/51/602453151.db2.gz	HPWQWINGWIUJMS-UHFFFAOYSA-N	-1	0	301.302	2.542	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	ZINC000740703103	602907921	/nfs/dbraw/zinc/90/79/21/602907921.db2.gz	NHUZXKYWPGZFAT-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000826842576	603808209	/nfs/dbraw/zinc/80/82/09/603808209.db2.gz	PUHIVWLVZYFAMN-GXDHUFHOSA-N	-1	0	314.341	2.977	20	50		DFGDRM
O=C([O-])N1CCc2cccc(C=NNC(=O)CC3CCCC3)c21	ZINC000831314380	603823832	/nfs/dbraw/zinc/82/38/32/603823832.db2.gz	SLOXKZRZEGZFJQ-UHFFFAOYSA-N	-1	0	315.373	2.758	20	50		DFGDRM
O=C([O-])N1CCC(C=NNC(=O)CCCc2ccccc2)CC1	ZINC000831429200	603860369	/nfs/dbraw/zinc/86/03/69/603860369.db2.gz	QQYGWDSYQBZYRQ-UHFFFAOYSA-N	-1	0	317.389	2.501	20	50		DFGDRM
O=C([O-])N1CCC(C=NNC(=O)CCCc2cccs2)CC1	ZINC000831427441	603860591	/nfs/dbraw/zinc/86/05/91/603860591.db2.gz	CIXAZUWYZMCELK-UHFFFAOYSA-N	-1	0	323.418	2.563	20	50		DFGDRM
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000825955304	604216889	/nfs/dbraw/zinc/21/68/89/604216889.db2.gz	HBCPVTACXRSPSA-HLFMAXKISA-N	-1	0	303.337	2.668	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1	ZINC000830586463	604578623	/nfs/dbraw/zinc/57/86/23/604578623.db2.gz	NHASRNJVZCKRGH-KGLIPLIRSA-N	-1	0	319.405	2.854	20	50		DFGDRM
C=C(C)[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)OCC	ZINC000833368900	604620015	/nfs/dbraw/zinc/62/00/15/604620015.db2.gz	WWOWKYGEBOOWDA-CYBMUJFWSA-N	-1	0	323.301	2.570	20	50		DFGDRM
CC(=NNC(=O)NCc1ccco1)[C@H](C)CCCCC(=O)[O-]	ZINC000814817628	604637838	/nfs/dbraw/zinc/63/78/38/604637838.db2.gz	PQPVVKKRZKPWAA-LLVKDONJSA-N	-1	0	309.366	2.736	20	50		DFGDRM
CC1(C)CCC[C@@H](CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1	ZINC000833561647	604800740	/nfs/dbraw/zinc/80/07/40/604800740.db2.gz	UGJSVTDXLAPUOC-NSHDSACASA-N	-1	0	305.378	2.829	20	50		DFGDRM
CC(C)(C)OC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000823822978	604826412	/nfs/dbraw/zinc/82/64/12/604826412.db2.gz	YHABBQWKSBXYIB-UHFFFAOYSA-N	-1	0	319.361	2.976	20	50		DFGDRM
Cc1cc(/C=C\C(=O)NNC(=O)[O-])c(C)n1C1CCCCC1	ZINC000830029455	605186383	/nfs/dbraw/zinc/18/63/83/605186383.db2.gz	GVPWAGXAROENKN-HJWRWDBZSA-N	-1	0	305.378	2.922	20	50		DFGDRM
CC(C)CO[C@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833488601	605245408	/nfs/dbraw/zinc/24/54/08/605245408.db2.gz	BSOWADCDJFLKSZ-SECBINFHSA-N	-1	0	314.769	2.542	20	50		DFGDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(Cl)cc1	ZINC000824758880	605457075	/nfs/dbraw/zinc/45/70/75/605457075.db2.gz	DQVHAJYBEWOMSW-ZDUSSCGKSA-N	-1	0	323.780	2.978	20	50		DFGDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccccc1C	ZINC000824759830	605460472	/nfs/dbraw/zinc/46/04/72/605460472.db2.gz	QCFNJVPPFVOXKK-CYBMUJFWSA-N	-1	0	303.362	2.633	20	50		DFGDRM
O=C([O-])NN=Cc1ccc(OC(F)F)c(Br)c1	ZINC000834251529	605492940	/nfs/dbraw/zinc/49/29/40/605492940.db2.gz	WXMZTXGGZBWFGO-UHFFFAOYSA-N	-1	0	309.066	2.652	20	50		DFGDRM
N#CC(C#N)=CN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1	ZINC000833961095	605621825	/nfs/dbraw/zinc/62/18/25/605621825.db2.gz	QEDXBNOLFTZZFR-MRXNPFEDSA-N	-1	0	306.325	2.669	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(Cl)c(F)c1	ZINC000833455842	605715114	/nfs/dbraw/zinc/71/51/14/605715114.db2.gz	ZJGKJFXMSHCVHU-UHFFFAOYSA-N	-1	0	302.733	2.813	20	50		DFGDRM
C[C@H]1C[C@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC(C)(C)C1	ZINC000833588560	605720174	/nfs/dbraw/zinc/72/01/74/605720174.db2.gz	GCLGKULXISNPKO-JQWIXIFHSA-N	-1	0	305.378	2.685	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)C1CCCC1	ZINC000834044851	605722287	/nfs/dbraw/zinc/72/22/87/605722287.db2.gz	JRSKVXCTYZTYOM-OCCSQVGLSA-N	-1	0	307.394	2.591	20	50		DFGDRM
C[C@@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H]1C	ZINC000833609143	605739862	/nfs/dbraw/zinc/73/98/62/605739862.db2.gz	QSMZGQPCFXSIPU-SUNKGSAMSA-N	-1	0	305.378	2.836	20	50		DFGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000833521675	605743752	/nfs/dbraw/zinc/74/37/52/605743752.db2.gz	QBNVLEVDJCQCGE-NSHDSACASA-N	-1	0	305.378	2.980	20	50		DFGDRM
C[C@H]1CC(NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@H](C)C1	ZINC000833594267	605743993	/nfs/dbraw/zinc/74/39/93/605743993.db2.gz	MWNJXEZDWPABGB-GHMZBOCLSA-N	-1	0	305.378	2.836	20	50		DFGDRM
CC1(C)CCCC[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833560840	605746177	/nfs/dbraw/zinc/74/61/77/605746177.db2.gz	KLMPFWADXNUTKH-CYBMUJFWSA-N	-1	0	305.378	2.980	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccccc1NCc1ccccc1Cl	ZINC000834249907	605811039	/nfs/dbraw/zinc/81/10/39/605811039.db2.gz	ALBTUIXGOAFFJP-UHFFFAOYSA-N	-1	0	319.748	2.865	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cccnc2Cl)c1	ZINC000834266754	605846648	/nfs/dbraw/zinc/84/66/48/605846648.db2.gz	ICRLBQQDWZIWAR-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])N[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	ZINC000834169868	605859381	/nfs/dbraw/zinc/85/93/81/605859381.db2.gz	PAOJPPNSFINENR-CQSZACIVSA-N	-1	0	311.341	2.746	20	50		DFGDRM
CC(C)[C@@H](NC(=O)NNC(=O)[O-])c1ccc(Cl)cc1F	ZINC000833792709	605917865	/nfs/dbraw/zinc/91/78/65/605917865.db2.gz	MQNVORXZEKHYIU-SNVBAGLBSA-N	-1	0	303.721	2.658	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1ccc(Cl)cc1Cl	ZINC000834233674	605926198	/nfs/dbraw/zinc/92/61/98/605926198.db2.gz	AJIOSICLEIHVIW-UHFFFAOYSA-N	-1	0	320.176	2.874	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1cccc(C(F)(F)F)c1	ZINC000834234294	605926215	/nfs/dbraw/zinc/92/62/15/605926215.db2.gz	OIUUXCJUPNASRS-UHFFFAOYSA-N	-1	0	319.283	2.586	20	50		DFGDRM
O=C([O-])N1CCCC(=NNC(=O)CCCc2cccs2)CC1	ZINC000833991160	605991876	/nfs/dbraw/zinc/99/18/76/605991876.db2.gz	GUQWTZMQWWZPOQ-UHFFFAOYSA-N	-1	0	323.418	2.707	20	50		DFGDRM
Cc1noc(C(C)C)c1C(=O)[N-]NC(=O)c1cccc(Cl)c1	ZINC000014851060	398390992	/nfs/dbraw/zinc/39/09/92/398390992.db2.gz	CPQPHBRJYHQJNY-UHFFFAOYSA-N	-1	0	321.764	2.835	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)/C=C/c2cccc(Cl)c2)o1	ZINC000084284117	398397329	/nfs/dbraw/zinc/39/73/29/398397329.db2.gz	VBJOTKJWRZHGQT-SOFGYWHQSA-N	-1	0	304.733	2.716	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)o1	ZINC000084284789	398397413	/nfs/dbraw/zinc/39/74/13/398397413.db2.gz	MUSMCXICPDMGIF-ZJUUUORDSA-N	-1	0	318.295	2.718	20	50		DFGDRM
COCc1c2ccccc2oc1C(=O)[N-]NC(=O)OC(C)(C)C	ZINC000069903559	398588722	/nfs/dbraw/zinc/58/87/22/398588722.db2.gz	MLUHNLHHKLQZHT-UHFFFAOYSA-N	-1	0	320.345	2.749	20	50		DFGDRM
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000013345068	264018107	/nfs/dbraw/zinc/01/81/07/264018107.db2.gz	IQADLTGMLDPOOE-NTEUORMPSA-N	-1	0	317.304	2.802	20	50		DFGDRM
C[C@H]1SCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1C	ZINC000185688653	267249157	/nfs/dbraw/zinc/24/91/57/267249157.db2.gz	BUPINWZJEBYRPA-ZIYUKDECSA-N	-1	0	302.399	2.652	20	50		DFGDRM
CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1	ZINC000490694321	267320759	/nfs/dbraw/zinc/32/07/59/267320759.db2.gz	KOQNHHCNFMOQIE-BOPFTXTBSA-N	-1	0	320.348	2.950	20	50		DFGDRM
N#C/C(=C/c1ccccc1C#N)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490782482	268143900	/nfs/dbraw/zinc/14/39/00/268143900.db2.gz	JMGMKYVHTBOVBS-ZROIWOOFSA-N	-1	0	317.304	2.802	20	50		DFGDRM
N#C/C(=C\c1cc(C(=O)[O-])cs1)C(=O)NC1CCCCC1	ZINC000491103619	268146163	/nfs/dbraw/zinc/14/61/63/268146163.db2.gz	LDWGLRDKEJYWDC-UXBLZVDNSA-N	-1	0	304.371	2.802	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1Cl)C(=O)N1CCCC1	ZINC000490814725	268146279	/nfs/dbraw/zinc/14/62/79/268146279.db2.gz	XLKKCFDPFXXMEN-KPKJPENVSA-N	-1	0	304.733	2.568	20	50		DFGDRM
CN(C)c1ccc(NC(=O)NN=C2CCC(C(=O)[O-])CC2)cc1	ZINC000737954850	598096577	/nfs/dbraw/zinc/09/65/77/598096577.db2.gz	HFROTQLGYADJCA-UHFFFAOYSA-N	-1	0	318.377	2.505	20	50		DFGDRM
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c1	ZINC000490905684	598200883	/nfs/dbraw/zinc/20/08/83/598200883.db2.gz	ACORYTZIXKPTSA-ZROIWOOFSA-N	-1	0	322.320	2.939	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1	ZINC000814699859	598201037	/nfs/dbraw/zinc/20/10/37/598201037.db2.gz	SWGQBCNRDMLPNL-UHFFFAOYSA-N	-1	0	307.309	2.630	20	50		DFGDRM
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(=O)[O-])s1	ZINC000737906153	599702932	/nfs/dbraw/zinc/70/29/32/599702932.db2.gz	WSJJVCYKKJQXDH-UHFFFAOYSA-N	-1	0	323.282	2.582	20	50		DFGDRM
C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)n1cccc1	ZINC000736564180	600588547	/nfs/dbraw/zinc/58/85/47/600588547.db2.gz	ZMNZZBQSOMKLFO-SNVBAGLBSA-N	-1	0	318.285	2.651	20	50		DFGDRM
N#C/C=C(\c1ccc(F)cc1)N1CCC2(C[C@H]2C(=O)[O-])CC1	ZINC000833062600	601144819	/nfs/dbraw/zinc/14/48/19/601144819.db2.gz	NZQKFTJWZKQMDW-YZWGYMLPSA-N	-1	0	300.333	2.877	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)Cc2cccc3ccccc32)[nH]1	ZINC000749810004	601336756	/nfs/dbraw/zinc/33/67/56/601336756.db2.gz	NOJGHESXENPUHJ-UHFFFAOYSA-N	-1	0	321.336	2.559	20	50		DFGDRM
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)[O-])CC1	ZINC000833062298	601413990	/nfs/dbraw/zinc/41/39/90/601413990.db2.gz	KZVXZCMZLIZJMS-TVPGTPATSA-N	-1	0	315.329	2.646	20	50		DFGDRM
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)c(C)c1	ZINC000832943253	601789474	/nfs/dbraw/zinc/78/94/74/601789474.db2.gz	UBHGINAYHKCHEL-AWNIVKPZSA-N	-1	0	309.325	2.875	20	50		DFGDRM
C[C@H](CC(=O)[O-])C(=O)NN(Cc1ccccc1)c1ccccc1	ZINC000827304373	602077629	/nfs/dbraw/zinc/07/76/29/602077629.db2.gz	SJMUGKNYJUSPHO-CQSZACIVSA-N	-1	0	312.369	2.835	20	50		DFGDRM
C[C@H](CC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1	ZINC000827304695	602085491	/nfs/dbraw/zinc/08/54/91/602085491.db2.gz	ZFJZEGSVNNFUGX-CYBMUJFWSA-N	-1	0	310.353	2.666	20	50		DFGDRM
C[C@@H](NC(=S)NNC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000736659990	602232922	/nfs/dbraw/zinc/23/29/22/602232922.db2.gz	BNEQOPUMVRBBRY-RXMQYKEDSA-N	-1	0	308.190	2.701	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cccc(Cl)c2)c(O)c1	ZINC000740700227	602845933	/nfs/dbraw/zinc/84/59/33/602845933.db2.gz	CDIKPVPPZLUJSL-UHFFFAOYSA-N	-1	0	321.720	2.892	20	50		DFGDRM
Cc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)[O-])cc1F	ZINC000738229998	602981540	/nfs/dbraw/zinc/98/15/40/602981540.db2.gz	JTRKWPLZIVJATM-UHFFFAOYSA-N	-1	0	306.268	2.853	20	50		DFGDRM
Cc1ccccc1C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000830552864	603820312	/nfs/dbraw/zinc/82/03/12/603820312.db2.gz	CIVSWSIMXHGGOX-UHFFFAOYSA-N	-1	0	323.352	2.799	20	50		DFGDRM
O=C([O-])NC[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	ZINC000832450843	603830190	/nfs/dbraw/zinc/83/01/90/603830190.db2.gz	GCUUQWCHQLMVIJ-LLVKDONJSA-N	-1	0	315.329	2.586	20	50		DFGDRM
CC(C)C[C@@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)c(F)c1	ZINC000824210858	604004343	/nfs/dbraw/zinc/00/43/43/604004343.db2.gz	KXNYXOSDXDQCLF-LLVKDONJSA-N	-1	0	317.748	2.605	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	ZINC000832839105	604031035	/nfs/dbraw/zinc/03/10/35/604031035.db2.gz	QWPLNZRJQYGSGC-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
CN(C(=O)[O-])C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	ZINC000827830240	604214595	/nfs/dbraw/zinc/21/45/95/604214595.db2.gz	SARAVVZJCRFPLP-UUASQNMZSA-N	-1	0	303.337	2.764	20	50		DFGDRM
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)CC[C@H]1NC(=O)[O-]	ZINC000825955306	604217084	/nfs/dbraw/zinc/21/70/84/604217084.db2.gz	HBCPVTACXRSPSA-UVYVFCJHSA-N	-1	0	303.337	2.668	20	50		DFGDRM
CC(=NNC(=O)c1ccc(C#N)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814823576	604637950	/nfs/dbraw/zinc/63/79/50/604637950.db2.gz	MDCIRTCQTFFFAA-GFCCVEGCSA-N	-1	0	315.373	2.945	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)[O-]	ZINC000833438872	605000475	/nfs/dbraw/zinc/00/04/75/605000475.db2.gz	GVKDSNVRRLEVPP-JQWIXIFHSA-N	-1	0	311.382	2.810	20	50		DFGDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)c1cccc(Cl)c1	ZINC000833408469	605038478	/nfs/dbraw/zinc/03/84/78/605038478.db2.gz	YVOBWUGDSYJJNW-JTQLQIEISA-N	-1	0	319.748	2.551	20	50		DFGDRM
O=C([O-])c1cccc(CC(=O)NN=c2ccc3ccccc3[nH]2)c1	ZINC000833765748	605236420	/nfs/dbraw/zinc/23/64/20/605236420.db2.gz	KOFQENMBGYLMPE-UHFFFAOYSA-N	-1	0	321.336	2.619	20	50		DFGDRM
CC(C)COCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833488358	605248818	/nfs/dbraw/zinc/24/88/18/605248818.db2.gz	OACVSWDSKCWLHK-UHFFFAOYSA-N	-1	0	314.769	2.544	20	50		DFGDRM
CC(C)CCC(=O)NN[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833480419	605357930	/nfs/dbraw/zinc/35/79/30/605357930.db2.gz	JIKJOGTUYJNMCJ-ZDUSSCGKSA-N	-1	0	316.760	2.662	20	50		DFGDRM
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1ccccc1F)C2	ZINC000833988240	605716927	/nfs/dbraw/zinc/71/69/27/605716927.db2.gz	QKQZQJHVAFLCQQ-YOGCLGLASA-N	-1	0	321.352	2.580	20	50		DFGDRM
CCOc1cc(C(=O)NNc2ccccc2C(=O)[O-])ccc1C	ZINC000833663626	605722656	/nfs/dbraw/zinc/72/26/56/605722656.db2.gz	SJGAZHRDMTZGHZ-UHFFFAOYSA-N	-1	0	314.341	2.849	20	50		DFGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1	ZINC000833411302	605730303	/nfs/dbraw/zinc/73/03/03/605730303.db2.gz	BNCBAMMCTSSJKL-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
CC(C)c1nc(C(=O)NNc2cccc(C(=O)[O-])c2)cs1	ZINC000833511187	605734838	/nfs/dbraw/zinc/73/48/38/605734838.db2.gz	FDANMRFKJLSZAW-UHFFFAOYSA-N	-1	0	305.359	2.722	20	50		DFGDRM
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2)C1	ZINC000834171350	605763950	/nfs/dbraw/zinc/76/39/50/605763950.db2.gz	YANAPLADNBGJSR-BXKDBHETSA-N	-1	0	311.769	2.610	20	50		DFGDRM
CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](Br)C(C)(C)C	ZINC000833487814	605776743	/nfs/dbraw/zinc/77/67/43/605776743.db2.gz	JDWYYELRTKGIGW-LLVKDONJSA-N	-1	0	322.243	2.755	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1	ZINC000084284795	398397235	/nfs/dbraw/zinc/39/72/35/398397235.db2.gz	MUSMCXICPDMGIF-NXEZZACHSA-N	-1	0	318.295	2.718	20	50		DFGDRM
Cc1ccoc1C(=O)[N-]NC(=O)c1cc2c(s1)CC[C@@H](C)C2	ZINC000024310103	398430187	/nfs/dbraw/zinc/43/01/87/398430187.db2.gz	KUHMAEHTTKNVSL-SECBINFHSA-N	-1	0	318.398	2.849	20	50		DFGDRM
Cc1cc2cc(C(=O)[N-]NC(=O)NC3CCCC3)oc2cc1C	ZINC000079788283	399085644	/nfs/dbraw/zinc/08/56/44/399085644.db2.gz	YNNGTATVWZZPBJ-UHFFFAOYSA-N	-1	0	315.373	2.936	20	50		DFGDRM
CCO/C=C(/C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1O	ZINC000490700378	267101192	/nfs/dbraw/zinc/10/11/92/267101192.db2.gz	VGHIIDJTQXWZJV-FPLPWBNLSA-N	-1	0	316.235	2.673	20	50		DFGDRM
CN(C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000490637251	267267319	/nfs/dbraw/zinc/26/73/19/267267319.db2.gz	GHUVWFHSGGVULC-PTNGSMBKSA-N	-1	0	306.321	2.955	20	50		DFGDRM
N#C/C(=C\c1cc(C(=O)[O-])cs1)C(=O)NCc1ccccc1	ZINC000490873715	268146209	/nfs/dbraw/zinc/14/62/09/268146209.db2.gz	DYDFTXUXHVHXEM-WUXMJOGZSA-N	-1	0	312.350	2.670	20	50		DFGDRM
O=C([O-])[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000769512185	597503674	/nfs/dbraw/zinc/50/36/74/597503674.db2.gz	WBUKUXWVONOHBD-GHMZBOCLSA-N	-1	0	303.449	2.634	20	50		DFGDRM
O=C([O-])c1ccccc1C=NNC(=O)c1cccc2ncccc21	ZINC000730146646	600033201	/nfs/dbraw/zinc/03/32/01/600033201.db2.gz	CBCMYYSDJYGZAH-UHFFFAOYSA-N	-1	0	319.320	2.697	20	50		DFGDRM
CC[C@@H](C(=O)NN=Cc1ccoc1C(=O)[O-])c1ccccc1	ZINC000736850365	600181166	/nfs/dbraw/zinc/18/11/66/600181166.db2.gz	WDHTVQBQZWTGCM-CYBMUJFWSA-N	-1	0	300.314	2.622	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1ccccc1F	ZINC000833149628	600733577	/nfs/dbraw/zinc/73/35/77/600733577.db2.gz	XDRMSELSDGGZNU-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
Cc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1	ZINC000832930925	601058669	/nfs/dbraw/zinc/05/86/69/601058669.db2.gz	USUWMFQMCMSXRJ-UHFFFAOYSA-N	-1	0	319.269	2.733	20	50		DFGDRM
O=C([O-])c1cccc(C(=O)NNc2ccc(Cl)c(F)c2)c1	ZINC000821549444	601122697	/nfs/dbraw/zinc/12/26/97/601122697.db2.gz	CILBVIRDMYWLOG-UHFFFAOYSA-N	-1	0	308.696	2.934	20	50		DFGDRM
N#C/C=C(/c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000833062596	601144650	/nfs/dbraw/zinc/14/46/50/601144650.db2.gz	NZQKFTJWZKQMDW-NBVHUKTGSA-N	-1	0	300.333	2.877	20	50		DFGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)c1c[nH]c2ccccc12	ZINC000833063784	601445516	/nfs/dbraw/zinc/44/55/16/601445516.db2.gz	LRDNSGLEUYHMHB-YFHOEESVSA-N	-1	0	305.293	2.984	20	50		DFGDRM
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC000828333078	601717752	/nfs/dbraw/zinc/71/77/52/601717752.db2.gz	CYOIIEJEWPVWOR-WOPDTQHZSA-N	-1	0	317.476	2.880	20	50		DFGDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NNc1cc(Cl)ccc1Cl	ZINC000826705254	601758274	/nfs/dbraw/zinc/75/82/74/601758274.db2.gz	LBBCTNXYIFUVNH-JTQLQIEISA-N	-1	0	320.176	2.729	20	50		DFGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)no1	ZINC000833063808	601790634	/nfs/dbraw/zinc/79/06/34/601790634.db2.gz	MJJOSSBSNRNIRC-WUXMJOGZSA-N	-1	0	306.281	2.827	20	50		DFGDRM
C[C@H](Oc1ccc(C=NNC(=O)CC2CCCC2)cc1)C(=O)[O-]	ZINC000794905720	602074722	/nfs/dbraw/zinc/07/47/22/602074722.db2.gz	KMHSJVIAWQROSO-LBPRGKRZSA-N	-1	0	318.373	2.569	20	50		DFGDRM
CN(NC(=S)NCCc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000739720951	602233353	/nfs/dbraw/zinc/23/33/53/602233353.db2.gz	OBFXJNIRNJUCGW-UHFFFAOYSA-N	-1	0	322.217	2.525	20	50		DFGDRM
CCC[C@@H](NC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)c1	ZINC000739318828	602573516	/nfs/dbraw/zinc/57/35/16/602573516.db2.gz	CLPLIGLHWUBYHN-SNVBAGLBSA-N	-1	0	319.283	2.585	20	50		DFGDRM
O=C([O-])N1CCC(C=NNC(=O)CCC2CCCCC2)CC1	ZINC000831422829	603858191	/nfs/dbraw/zinc/85/81/91/603858191.db2.gz	FBZXPQQPRHRYGI-UHFFFAOYSA-N	-1	0	309.410	2.839	20	50		DFGDRM
CCOc1ccccc1[C@H](CC(C)C)NC(=O)NNC(=O)[O-]	ZINC000827453455	603904707	/nfs/dbraw/zinc/90/47/07/603904707.db2.gz	TUAAZIDIVCBGSC-LBPRGKRZSA-N	-1	0	309.366	2.654	20	50		DFGDRM
COc1cc(F)cc(NNC(=O)c2ccc(NC(=O)[O-])cc2)c1	ZINC000829143232	604316451	/nfs/dbraw/zinc/31/64/51/604316451.db2.gz	XQJPFVGYCLPBBC-UHFFFAOYSA-N	-1	0	319.292	2.681	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)Cc2ccc(NC(=O)[O-])cc2)c1	ZINC000830333303	604413711	/nfs/dbraw/zinc/41/37/11/604413711.db2.gz	UBDAJNGNBZWVCA-UHFFFAOYSA-N	-1	0	317.320	2.910	20	50		DFGDRM
CC(=NNC(=O)[O-])c1ccc(OC[C@H]2CCCCO2)c(F)c1	ZINC000825798198	604791711	/nfs/dbraw/zinc/79/17/11/604791711.db2.gz	CCIAYKRAEPQYRD-GFCCVEGCSA-N	-1	0	310.325	2.765	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)CCc2ccccc2C(=O)[O-])c1	ZINC000833749359	604795094	/nfs/dbraw/zinc/79/50/94/604795094.db2.gz	HEWRONOYHLXAML-UHFFFAOYSA-N	-1	0	316.332	2.908	20	50		DFGDRM
O=C([O-])NNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F	ZINC000832745568	604825574	/nfs/dbraw/zinc/82/55/74/604825574.db2.gz	YXTDWCUPNHHVQL-YVMONPNESA-N	-1	0	308.643	2.585	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2ccccc2NC(=O)[O-])c1	ZINC000833749167	604940039	/nfs/dbraw/zinc/94/00/39/604940039.db2.gz	AYICBVILRWHGNL-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1	ZINC000830587299	605252066	/nfs/dbraw/zinc/25/20/66/605252066.db2.gz	WETCAQZZAQATAR-CYBMUJFWSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1F	ZINC000833411818	605281772	/nfs/dbraw/zinc/28/17/72/605281772.db2.gz	QKWKYKDMYNQCMS-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
N#C/C=C(\c1ccccc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833968951	605457498	/nfs/dbraw/zinc/45/74/98/605457498.db2.gz	PIAWQIVELDARPO-GYQNPYNOSA-N	-1	0	311.385	2.919	20	50		DFGDRM
CC(C)(C)OC(=O)N[C@H]1CC(=NNC(=O)[O-])c2ccccc21	ZINC000833441957	605578300	/nfs/dbraw/zinc/57/83/00/605578300.db2.gz	WXZWWBQZAHMNNG-NSHDSACASA-N	-1	0	305.334	2.628	20	50		DFGDRM
O=C([O-])N[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccccc1	ZINC000832104137	605578535	/nfs/dbraw/zinc/57/85/35/605578535.db2.gz	DHALBMAAFUGVGI-AWEZNQCLSA-N	-1	0	317.320	2.668	20	50		DFGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1F	ZINC000833411854	605734781	/nfs/dbraw/zinc/73/47/81/605734781.db2.gz	SJYBVYOABPQXKZ-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
Cc1cccc(C2(C(=O)NNc3cccc(C(=O)[O-])c3)CC2)c1	ZINC000833752827	605736136	/nfs/dbraw/zinc/73/61/36/605736136.db2.gz	ZSIYLKXEFJDNDZ-UHFFFAOYSA-N	-1	0	310.353	2.868	20	50		DFGDRM
CC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCCCC1	ZINC000833562890	605746631	/nfs/dbraw/zinc/74/66/31/605746631.db2.gz	AFXXOLVBROUAIS-UHFFFAOYSA-N	-1	0	305.378	2.981	20	50		DFGDRM
C#CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833360961	605748241	/nfs/dbraw/zinc/74/82/41/605748241.db2.gz	UDUVKYGVOOPWHJ-INIZCTEOSA-N	-1	0	323.352	2.776	20	50		DFGDRM
O=C([O-])NCCC(=O)NN=Cc1cc(-c2ccccc2)cs1	ZINC000834227909	605750248	/nfs/dbraw/zinc/75/02/48/605750248.db2.gz	RUSNMDVCEBHZFD-UHFFFAOYSA-N	-1	0	317.370	2.523	20	50		DFGDRM
O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2)C1	ZINC000834171353	605764011	/nfs/dbraw/zinc/76/40/11/605764011.db2.gz	YANAPLADNBGJSR-CABZTGNLSA-N	-1	0	311.769	2.610	20	50		DFGDRM
O=C([O-])N1CCCN1C(=O)CCCC[C@H]1CCSS1	ZINC000834111165	605787748	/nfs/dbraw/zinc/78/77/48/605787748.db2.gz	ZUIQLPSKUQAPMT-JTQLQIEISA-N	-1	0	304.437	2.828	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccc(F)cc2F)c1	ZINC000834267398	605834740	/nfs/dbraw/zinc/83/47/40/605834740.db2.gz	WAEMAEUXDNBCOK-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(F)cc1	ZINC000834271938	606044896	/nfs/dbraw/zinc/04/48/96/606044896.db2.gz	FZNYYZAOLIYUHE-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)C23CC4CC(CC(C4)C2)C3)o1	ZINC000017156959	398403013	/nfs/dbraw/zinc/40/30/13/398403013.db2.gz	RAHOSATYTVVTIZ-UHFFFAOYSA-N	-1	0	302.374	2.565	20	50		DFGDRM
CCc1ccc(-c2ccc(C(=O)[N-]NC(=O)NC3CC3)o2)cc1	ZINC000079759798	399082249	/nfs/dbraw/zinc/08/22/49/399082249.db2.gz	CRDVGWBKNJDZCJ-UHFFFAOYSA-N	-1	0	313.357	2.615	20	50		DFGDRM
CC(C)Cc1nc(C(=O)[N-]NC(=O)c2ccccc2F)cs1	ZINC000063568933	399195534	/nfs/dbraw/zinc/19/55/34/399195534.db2.gz	FXROXTXZEFOMBT-UHFFFAOYSA-N	-1	0	321.377	2.556	20	50		DFGDRM
CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000490662368	270002392	/nfs/dbraw/zinc/00/23/92/270002392.db2.gz	BCAPBJYCTNJVEG-ZSOIEALJSA-N	-1	0	324.340	2.537	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OC2CCCC2)cc1	ZINC000272099368	266320275	/nfs/dbraw/zinc/32/02/75/266320275.db2.gz	LAUASQXPXAURIE-SDNWHVSQSA-N	-1	0	300.358	2.983	20	50		DFGDRM
CC(C)(C(=O)NN=Cc1ccc(C(=O)[O-])cc1)c1ccccc1	ZINC000731150831	599886438	/nfs/dbraw/zinc/88/64/38/599886438.db2.gz	NSKFKVZQVRQFPA-UHFFFAOYSA-N	-1	0	310.353	2.813	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)CCCc2cccs2)cc1	ZINC000732532272	600423555	/nfs/dbraw/zinc/42/35/55/600423555.db2.gz	FWKIEPWSQKMOBJ-UHFFFAOYSA-N	-1	0	316.382	2.919	20	50		DFGDRM
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000737948075	600458400	/nfs/dbraw/zinc/45/84/00/600458400.db2.gz	QTCBVPLYCCCXET-UHFFFAOYSA-N	-1	0	317.253	2.521	20	50		DFGDRM
CCCCSCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000737001712	600458507	/nfs/dbraw/zinc/45/85/07/600458507.db2.gz	ZFRRBRVSCYKBBO-UHFFFAOYSA-N	-1	0	313.331	2.732	20	50		DFGDRM
O=C([O-])Nc1cccc(C(=O)NNc2ccc(Cl)nc2)c1	ZINC000833291369	600814279	/nfs/dbraw/zinc/81/42/79/600814279.db2.gz	JSSIBORVILOYTQ-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NN=c2[nH]ccc3sccc32)C1	ZINC000833185420	601210838	/nfs/dbraw/zinc/21/08/38/601210838.db2.gz	WRICPOOWRAVVKU-ZJUUUORDSA-N	-1	0	319.386	2.630	20	50		DFGDRM
COc1csc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000832648851	601269821	/nfs/dbraw/zinc/26/98/21/601269821.db2.gz	LBFRJRFESXENFU-UHFFFAOYSA-N	-1	0	323.282	2.582	20	50		DFGDRM
O=C(CCCC[C@@H]1CCSS1)N[C@@H](C(=O)[O-])C1CC1	ZINC000833097377	601630947	/nfs/dbraw/zinc/63/09/47/601630947.db2.gz	JYZFUPNVZIJHTF-ZYHUDNBSSA-N	-1	0	303.449	2.680	20	50		DFGDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1cc(Cl)ccc1Cl	ZINC000826705255	601758286	/nfs/dbraw/zinc/75/82/86/601758286.db2.gz	LBBCTNXYIFUVNH-SNVBAGLBSA-N	-1	0	320.176	2.729	20	50		DFGDRM
CCc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830253560	601789312	/nfs/dbraw/zinc/78/93/12/601789312.db2.gz	FYSOQWIIOXKUCW-QPEQYQDCSA-N	-1	0	309.325	2.821	20	50		DFGDRM
O=C([O-])c1cc(C=NNC(=O)Cc2ccc3ccccc3c2)c[nH]1	ZINC000814808036	601797092	/nfs/dbraw/zinc/79/70/92/601797092.db2.gz	VVTHHBSYOVYVBK-UHFFFAOYSA-N	-1	0	321.336	2.559	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000829402124	602096594	/nfs/dbraw/zinc/09/65/94/602096594.db2.gz	RGNJIUUOQKYPCT-LQELWAHVSA-N	-1	0	317.341	2.789	20	50		DFGDRM
CN(N=Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000828435110	603629771	/nfs/dbraw/zinc/62/97/71/603629771.db2.gz	XXQROZXLNYKJLR-LBPRGKRZSA-N	-1	0	312.753	2.842	20	50		DFGDRM
CC(C)(C)CC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000823760387	603821762	/nfs/dbraw/zinc/82/17/62/603821762.db2.gz	RTIKCYXUTHKVKV-UHFFFAOYSA-N	-1	0	303.362	2.613	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824679647	604298086	/nfs/dbraw/zinc/29/80/86/604298086.db2.gz	MHDHBOKNUPSXQV-NEPJUHHUSA-N	-1	0	323.368	2.685	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2ccc(NC(=O)[O-])cc2)c1	ZINC000830332915	604413635	/nfs/dbraw/zinc/41/36/35/604413635.db2.gz	HMDCCLLFHMFTFG-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
CC(C)(CNC(=O)[O-])C(=O)NNc1c(Cl)cccc1Cl	ZINC000823965126	604433182	/nfs/dbraw/zinc/43/31/82/604433182.db2.gz	UIOVRHXNXZMOJC-UHFFFAOYSA-N	-1	0	320.176	2.730	20	50		DFGDRM
CC(=NNC(=O)c1ccccc1F)c1ccc(C(=O)[O-])cc1	ZINC000825804530	604635663	/nfs/dbraw/zinc/63/56/63/604635663.db2.gz	LLKGLUYDKRHTBC-UHFFFAOYSA-N	-1	0	300.289	2.678	20	50		DFGDRM
CC(C)[C@H]1C[C@@H](CC(=O)NNc2cccc(C(=O)[O-])c2)CCO1	ZINC000833471773	605130309	/nfs/dbraw/zinc/13/03/09/605130309.db2.gz	QCGYRHNUUXNYKL-SWLSCSKDSA-N	-1	0	320.389	2.669	20	50		DFGDRM
O=C([O-])NNC(=O)c1cn(Cc2ccccc2)c2ccccc12	ZINC000832748390	605189330	/nfs/dbraw/zinc/18/93/30/605189330.db2.gz	IYXIQRVHRZLSSP-UHFFFAOYSA-N	-1	0	309.325	2.602	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccccc1)C1CCN(C(=O)[O-])CC1	ZINC000824679430	605251639	/nfs/dbraw/zinc/25/16/39/605251639.db2.gz	KVKUHZYCUVOTJY-LBPRGKRZSA-N	-1	0	305.378	2.546	20	50		DFGDRM
C=CCOc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1	ZINC000833377630	605259913	/nfs/dbraw/zinc/25/99/13/605259913.db2.gz	GLCYNERTEARMAM-UHFFFAOYSA-N	-1	0	312.325	2.707	20	50		DFGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCC(=O)[O-])c1C	ZINC000833653098	605278706	/nfs/dbraw/zinc/27/87/06/605278706.db2.gz	VOACNBUPQAEECU-XNTDXEJSSA-N	-1	0	318.373	2.830	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)CN(C(=O)[O-])c2ccccc2)c1	ZINC000830333287	605401103	/nfs/dbraw/zinc/40/11/03/605401103.db2.gz	SQZOTOXIBZHPFT-UHFFFAOYSA-N	-1	0	317.320	2.762	20	50		DFGDRM
O=C([O-])NCc1cccc(NC(=O)NNc2ccccc2F)c1	ZINC000834247740	605657300	/nfs/dbraw/zinc/65/73/00/605657300.db2.gz	VUQZDBNKIMMMJX-UHFFFAOYSA-N	-1	0	318.308	2.742	20	50		DFGDRM
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccccc2Cl)C1	ZINC000834169316	605723503	/nfs/dbraw/zinc/72/35/03/605723503.db2.gz	LVMCJYGEAFGGNN-ZJUUUORDSA-N	-1	0	311.769	2.610	20	50		DFGDRM
C[C@@H]1CCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]1C	ZINC000833609140	605740096	/nfs/dbraw/zinc/74/00/96/605740096.db2.gz	QSMZGQPCFXSIPU-GYSYKLTISA-N	-1	0	305.378	2.836	20	50		DFGDRM
CC1CCC(CNC(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC000833604548	605741572	/nfs/dbraw/zinc/74/15/72/605741572.db2.gz	ROXGJJQEQFTLLA-UHFFFAOYSA-N	-1	0	305.378	2.837	20	50		DFGDRM
COc1ccc(/C=C/C(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833732179	605775150	/nfs/dbraw/zinc/77/51/50/605775150.db2.gz	HWHBYISHVONZDP-JXMROGBWSA-N	-1	0	312.325	2.550	20	50		DFGDRM
O=C([O-])N1CCCN1C(=O)CCCC[C@@H]1CCSS1	ZINC000834111166	605787775	/nfs/dbraw/zinc/78/77/75/605787775.db2.gz	ZUIQLPSKUQAPMT-SNVBAGLBSA-N	-1	0	304.437	2.828	20	50		DFGDRM
O=C([O-])N1CCCC(=NNC(=O)c2ccc(Cl)cc2)CC1	ZINC000834045316	605990776	/nfs/dbraw/zinc/99/07/76/605990776.db2.gz	NZPCICYTFDSWLY-UHFFFAOYSA-N	-1	0	309.753	2.590	20	50		DFGDRM
O=C(N[N-]C(=O)c1occc1-c1ccccc1)NC1CCCC1	ZINC000065919919	398351238	/nfs/dbraw/zinc/35/12/38/398351238.db2.gz	IQTIACOSSLNOIT-UHFFFAOYSA-N	-1	0	313.357	2.833	20	50		DFGDRM
O=C(CCCCCc1cccs1)N[N-]C(=O)c1ccccn1	ZINC000067123545	398418442	/nfs/dbraw/zinc/41/84/42/398418442.db2.gz	ZCYSIKDUQMHLDY-UHFFFAOYSA-N	-1	0	317.414	2.707	20	50		DFGDRM
Cc1ccccc1NC(=O)N[N-]C(=O)c1cc(C(C)(C)C)on1	ZINC000075566240	398810484	/nfs/dbraw/zinc/81/04/84/398810484.db2.gz	MBYBAGPCDSACGB-UHFFFAOYSA-N	-1	0	316.361	2.747	20	50		DFGDRM
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000490664068	269917601	/nfs/dbraw/zinc/91/76/01/269917601.db2.gz	NSMKHQSBOFZQMB-YVLHZVERSA-N	-1	0	320.348	2.917	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCCCOC)c1C	ZINC000490936157	267046480	/nfs/dbraw/zinc/04/64/80/267046480.db2.gz	AJXVXBVBNFOHNR-WJDWOHSUSA-N	-1	0	319.405	2.506	20	50		DFGDRM
Cc1cccc(CNC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c1	ZINC000490700432	268053285	/nfs/dbraw/zinc/05/32/85/268053285.db2.gz	VKEYLSMTNXFIQE-YVLHZVERSA-N	-1	0	320.348	2.917	20	50		DFGDRM
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819091213	597086640	/nfs/dbraw/zinc/08/66/40/597086640.db2.gz	UBPUMXPYNSEAKZ-FCGPPKDQSA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000769512188	597503939	/nfs/dbraw/zinc/50/39/39/597503939.db2.gz	WBUKUXWVONOHBD-MNOVXSKESA-N	-1	0	303.449	2.634	20	50		DFGDRM
O=C([O-])Cc1ccccc1NC(=O)NNc1ncccc1Cl	ZINC000821539452	598147430	/nfs/dbraw/zinc/14/74/30/598147430.db2.gz	XEQORGSAFYFBGR-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NN=c2ccc3ccccc3[nH]2)cc1	ZINC000821544756	598198145	/nfs/dbraw/zinc/19/81/45/598198145.db2.gz	YVZWISCZFXOAJJ-UHFFFAOYSA-N	-1	0	307.309	2.690	20	50		DFGDRM
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)cc1	ZINC000490880638	598200838	/nfs/dbraw/zinc/20/08/38/598200838.db2.gz	VRROIUMMTSTJAA-UVTDQMKNSA-N	-1	0	322.320	2.939	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)c2cccc3cccnc32)c1	ZINC000814823956	598201474	/nfs/dbraw/zinc/20/14/74/598201474.db2.gz	CQUXCMIRWUHVKE-UHFFFAOYSA-N	-1	0	319.320	2.697	20	50		DFGDRM
O=C([O-])c1ccccc1C=NNC(=O)CCCc1ccccc1	ZINC000727689147	599743807	/nfs/dbraw/zinc/74/38/07/599743807.db2.gz	NUAQCDDDIZHIMZ-UHFFFAOYSA-N	-1	0	310.353	2.858	20	50		DFGDRM
CN(NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1	ZINC000737502105	599819449	/nfs/dbraw/zinc/81/94/49/599819449.db2.gz	WPSQJAOQIWFIOE-UHFFFAOYSA-N	-1	0	323.352	2.507	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)c2cccc3ncccc32)cc1	ZINC000730146110	600033274	/nfs/dbraw/zinc/03/32/74/600033274.db2.gz	GFEXKAZKFHXRSK-UHFFFAOYSA-N	-1	0	319.320	2.697	20	50		DFGDRM
CC(C)(C)OC(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000736283347	600180383	/nfs/dbraw/zinc/18/03/83/600180383.db2.gz	FAHJMIDCMBNLCM-UHFFFAOYSA-N	-1	0	303.318	2.725	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1ccccc1F)c1cccc(Cl)c1	ZINC000739453115	600418930	/nfs/dbraw/zinc/41/89/30/600418930.db2.gz	DDANMHCNKIOUND-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
CCc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1	ZINC000737284637	600452284	/nfs/dbraw/zinc/45/22/84/600452284.db2.gz	JZDMETKPVRYXFT-UHFFFAOYSA-N	-1	0	322.298	2.531	20	50		DFGDRM
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000490664067	600566834	/nfs/dbraw/zinc/56/68/34/600566834.db2.gz	NSMKHQSBOFZQMB-LICLKQGHSA-N	-1	0	320.348	2.917	20	50		DFGDRM
CCCCCCOC(=O)c1ccc(NC(=O)NNC(=O)[O-])cc1	ZINC000829356351	601199600	/nfs/dbraw/zinc/19/96/00/601199600.db2.gz	BQUSGOFQCCGXQL-UHFFFAOYSA-N	-1	0	323.349	2.728	20	50		DFGDRM
O=C([O-])[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	ZINC000833183905	601212705	/nfs/dbraw/zinc/21/27/05/601212705.db2.gz	LYCVDSMJBVHRQD-BDAKNGLRSA-N	-1	0	314.744	2.813	20	50		DFGDRM
Cc1cccc(NC(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832971554	601789553	/nfs/dbraw/zinc/78/95/53/601789553.db2.gz	TUCSEWSYSRUWRX-MLPAPPSSSA-N	-1	0	309.325	2.875	20	50		DFGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	ZINC000833064757	601789915	/nfs/dbraw/zinc/78/99/15/601789915.db2.gz	VTYABEXNJBDNEZ-WZUFQYTHSA-N	-1	0	305.293	2.984	20	50		DFGDRM
O=C([O-])NCc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	ZINC000740673896	602223303	/nfs/dbraw/zinc/22/33/03/602223303.db2.gz	MZVXGQXLZQCISW-UHFFFAOYSA-N	-1	0	319.748	2.865	20	50		DFGDRM
O=C([O-])NC[C@H](NC(=O)NNc1ccccc1)C1CCCCC1	ZINC000740608917	603363619	/nfs/dbraw/zinc/36/36/19/603363619.db2.gz	TXDRABRPZLLPDM-AWEZNQCLSA-N	-1	0	320.393	2.529	20	50		DFGDRM
C[C@H](C(=O)NNc1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823701163	603445959	/nfs/dbraw/zinc/44/59/59/603445959.db2.gz	AIPSFOPIQGBYHQ-SWLSCSKDSA-N	-1	0	313.357	2.775	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1C(=O)NNc1cc(Cl)ccc1Cl	ZINC000831742638	603839713	/nfs/dbraw/zinc/83/97/13/603839713.db2.gz	MIABYLZSJCEJBE-SNVBAGLBSA-N	-1	0	318.160	2.579	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cccc(F)c2F)cc1	ZINC000832841897	603933430	/nfs/dbraw/zinc/93/34/30/603933430.db2.gz	SOVONGUIKBEDIV-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1	ZINC000829991116	603998477	/nfs/dbraw/zinc/99/84/77/603998477.db2.gz	NPKNIDZTJGOTRW-ZIAGYGMSSA-N	-1	0	319.405	2.881	20	50		DFGDRM
Cc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1NC(=O)[O-]	ZINC000830225640	604030193	/nfs/dbraw/zinc/03/01/93/604030193.db2.gz	RVWYTALALPRZBB-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
CN(C(=O)[O-])[C@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000827815805	604214551	/nfs/dbraw/zinc/21/45/51/604214551.db2.gz	FXQZIAXJGFPFPY-QDECMSLZSA-N	-1	0	303.337	2.764	20	50		DFGDRM
C[C@@H](CC(=O)NN(C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824671011	604578015	/nfs/dbraw/zinc/57/80/15/604578015.db2.gz	DEIZYWLRUXUCEL-KBPBESRZSA-N	-1	0	319.405	2.570	20	50		DFGDRM
C=C[C@@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833371590	604801435	/nfs/dbraw/zinc/80/14/35/604801435.db2.gz	RBIZTAJCRMWDPY-LBPRGKRZSA-N	-1	0	311.341	2.583	20	50		DFGDRM
O=C([O-])NNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F	ZINC000832745567	604825729	/nfs/dbraw/zinc/82/57/29/604825729.db2.gz	YXTDWCUPNHHVQL-VMPITWQZSA-N	-1	0	308.643	2.585	20	50		DFGDRM
O=C([O-])N1CCCc2cccc(C=NNC(=O)c3ccccc3)c21	ZINC000831736500	604825755	/nfs/dbraw/zinc/82/57/55/604825755.db2.gz	NGCOFUHTVUYIGX-UHFFFAOYSA-N	-1	0	323.352	2.881	20	50		DFGDRM
C[C@H](Sc1ccccc1C(=O)N1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833544868	605226058	/nfs/dbraw/zinc/22/60/58/605226058.db2.gz	AOPJLKXRVDBLDM-NSHDSACASA-N	-1	0	316.382	2.548	20	50		DFGDRM
COCCC[C@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833725152	605249415	/nfs/dbraw/zinc/24/94/15/605249415.db2.gz	PRMCDRICCCYWKI-VIFPVBQESA-N	-1	0	314.769	2.544	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1cccc(F)c1F)c1ccccc1	ZINC000831450970	605366503	/nfs/dbraw/zinc/36/65/03/605366503.db2.gz	MQGPIJVDXRQLFI-UHFFFAOYSA-N	-1	0	321.283	2.593	20	50		DFGDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)CC(F)(F)F	ZINC000824759158	605474368	/nfs/dbraw/zinc/47/43/68/605474368.db2.gz	ITSFARBOOVJJCZ-JTQLQIEISA-N	-1	0	323.315	2.744	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccccc2F)ccc1F	ZINC000834253064	605718292	/nfs/dbraw/zinc/71/82/92/605718292.db2.gz	FPMBKUMHJRHPTD-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(F)c1	ZINC000833411600	605732621	/nfs/dbraw/zinc/73/26/21/605732621.db2.gz	KAXKQZCRAJJFEC-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
C[C@@H]1CCCC[C@@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607798	605741531	/nfs/dbraw/zinc/74/15/31/605741531.db2.gz	GZUODPHZWYKRJN-DGCLKSJQSA-N	-1	0	305.378	2.837	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccccc2F)c1	ZINC000834266752	605833947	/nfs/dbraw/zinc/83/39/47/605833947.db2.gz	IBNHWDZQDDCCLL-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])N1CCC[C@H](C=NNC(=O)CCCc2cccs2)C1	ZINC000833990762	606053538	/nfs/dbraw/zinc/05/35/38/606053538.db2.gz	BAXXLTZVAYUNMB-GFCCVEGCSA-N	-1	0	323.418	2.563	20	50		DFGDRM
Cc1cc(Br)oc1C(=O)[N-]NC(=O)CCC(C)C	ZINC000066572728	398385088	/nfs/dbraw/zinc/38/50/88/398385088.db2.gz	UCQVNPXWJCWUDV-UHFFFAOYSA-N	-1	0	317.183	2.548	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)o1	ZINC000084161250	398395161	/nfs/dbraw/zinc/39/51/61/398395161.db2.gz	SCDSQLMYLJHTPQ-CHWSQXEVSA-N	-1	0	305.378	2.501	20	50		DFGDRM
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000006279644	264001452	/nfs/dbraw/zinc/00/14/52/264001452.db2.gz	HHMJVAOTSMJLQC-GXDHUFHOSA-N	-1	0	322.320	2.939	20	50		DFGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]OCCCOC)c1C	ZINC000287616583	266087208	/nfs/dbraw/zinc/08/72/08/266087208.db2.gz	AJXVXBVBNFOHNR-LFIBNONCSA-N	-1	0	319.405	2.506	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCCSC)c1C	ZINC000490664429	267047038	/nfs/dbraw/zinc/04/70/38/267047038.db2.gz	QODDPCBWMCZRLL-GDNBJRDFSA-N	-1	0	321.446	2.833	20	50		DFGDRM
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1	ZINC000490879979	267662800	/nfs/dbraw/zinc/66/28/00/267662800.db2.gz	TWYIULMRNWUCJY-UVTDQMKNSA-N	-1	0	322.320	2.939	20	50		DFGDRM
N#C/C(=C/c1cccc(OCC(=O)[O-])c1)C(=O)Nc1ccccc1	ZINC000490637748	268143645	/nfs/dbraw/zinc/14/36/45/268143645.db2.gz	IQLNUMHXJWRISA-ZROIWOOFSA-N	-1	0	322.320	2.696	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2cccc3cnccc32)cc1	ZINC000821544718	598158575	/nfs/dbraw/zinc/15/85/75/598158575.db2.gz	VTRIDQNXIALVDY-UHFFFAOYSA-N	-1	0	307.309	2.690	20	50		DFGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccc2c(c1)OCCO2	ZINC000734483256	600626189	/nfs/dbraw/zinc/62/61/89/600626189.db2.gz	NDSCTRMXMZHRDK-ZSOIEALJSA-N	-1	0	324.336	2.857	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)CCC1CCCCC1)c1ccccc1F	ZINC000833096314	600747393	/nfs/dbraw/zinc/74/73/93/600747393.db2.gz	GPSZQTBAJHGYMJ-MRXNPFEDSA-N	-1	0	322.380	2.933	20	50		DFGDRM
N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-]	ZINC000743248559	600994662	/nfs/dbraw/zinc/99/46/62/600994662.db2.gz	XZHMYCHHMJXSEL-ASJRZHAZSA-N	-1	0	307.733	2.889	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	ZINC000821544455	601122754	/nfs/dbraw/zinc/12/27/54/601122754.db2.gz	RNCOYTBAOJYYQY-UHFFFAOYSA-N	-1	0	308.696	2.934	20	50		DFGDRM
O=C([O-])Nc1cccc(C(=O)NNc2cccnc2Cl)c1	ZINC000833287909	601589950	/nfs/dbraw/zinc/58/99/50/601589950.db2.gz	CQNCOTREMYDYOU-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
O=C(CCCC[C@@H]1CCSS1)N[C@H](C(=O)[O-])C1CC1	ZINC000833097376	601630826	/nfs/dbraw/zinc/63/08/26/601630826.db2.gz	JYZFUPNVZIJHTF-PWSUYJOCSA-N	-1	0	303.449	2.680	20	50		DFGDRM
O=C([O-])[C@@]1(F)CCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000833097091	601654975	/nfs/dbraw/zinc/65/49/75/601654975.db2.gz	FRQPLEWCNOHIIY-ZWNOBZJWSA-N	-1	0	321.439	2.726	20	50		DFGDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1c(Cl)cccc1Cl	ZINC000826705299	602052137	/nfs/dbraw/zinc/05/21/37/602052137.db2.gz	PIUOMPZAECSPAU-SECBINFHSA-N	-1	0	320.176	2.729	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1	ZINC000285469302	602095643	/nfs/dbraw/zinc/09/56/43/602095643.db2.gz	RGNJIUUOQKYPCT-GVIGZQTCSA-N	-1	0	317.341	2.789	20	50		DFGDRM
O=C([O-])NCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	ZINC000740674573	602189376	/nfs/dbraw/zinc/18/93/76/602189376.db2.gz	VOYDKHFYBITFSH-UHFFFAOYSA-N	-1	0	319.748	2.865	20	50		DFGDRM
CCc1ccc(C(=O)NN=C2CCC(NC(=O)[O-])CC2)cc1	ZINC000739545613	602457205	/nfs/dbraw/zinc/45/72/05/602457205.db2.gz	YTRKQJIXQVVNQW-UHFFFAOYSA-N	-1	0	303.362	2.545	20	50		DFGDRM
CC(C)(CNC(=O)CCCC[C@H]1CCSS1)NC(=O)[O-]	ZINC000823906994	603670005	/nfs/dbraw/zinc/67/00/05/603670005.db2.gz	MUZUFDZOGHBSLT-JTQLQIEISA-N	-1	0	320.480	2.863	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	ZINC000832841674	604032464	/nfs/dbraw/zinc/03/24/64/604032464.db2.gz	KYBBFHGUAGHLSS-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cccnc2Cl)cc1	ZINC000832841701	604106736	/nfs/dbraw/zinc/10/67/36/604106736.db2.gz	MTCNNOLDMCADNA-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])NN=Cc1ccc(OCCBr)c(Cl)c1	ZINC000832745153	604285318	/nfs/dbraw/zinc/28/53/18/604285318.db2.gz	TVVNMVMFEGGFAE-UHFFFAOYSA-N	-1	0	321.558	2.715	20	50		DFGDRM
CC(=NNC(=O)c1ccccc1O)[C@@H](C)CCCCC(=O)[O-]	ZINC000814694926	604633147	/nfs/dbraw/zinc/63/31/47/604633147.db2.gz	DZICVZROLZVPDE-NSHDSACASA-N	-1	0	306.362	2.779	20	50		DFGDRM
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(C(=O)[O-])cc1	ZINC000825804772	604638827	/nfs/dbraw/zinc/63/88/27/604638827.db2.gz	WIVUPTURNQCESJ-UHFFFAOYSA-N	-1	0	317.732	2.587	20	50		DFGDRM
CN(C(=O)[O-])c1ccc(NC(=O)NNc2ccccc2)cc1	ZINC000833685578	604731194	/nfs/dbraw/zinc/73/11/94/604731194.db2.gz	NSHCRGUPYNJUBF-UHFFFAOYSA-N	-1	0	300.318	2.949	20	50		DFGDRM
CC(C)[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833466185	604800233	/nfs/dbraw/zinc/80/02/33/604800233.db2.gz	UXBARKNRGGRNSX-OAHLLOKOSA-N	-1	0	313.357	2.663	20	50		DFGDRM
CCCc1c(C(=O)NNc2cccc(F)c2)[nH]c(C)c1C(=O)[O-]	ZINC000833652694	604935693	/nfs/dbraw/zinc/93/56/93/604935693.db2.gz	DYULAOUVLWEDTO-UHFFFAOYSA-N	-1	0	319.336	2.870	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)[O-]	ZINC000833438873	605000427	/nfs/dbraw/zinc/00/04/27/605000427.db2.gz	GVKDSNVRRLEVPP-PWSUYJOCSA-N	-1	0	311.382	2.810	20	50		DFGDRM
Cc1[nH]c(C(=O)NN=c2ccc3ccccc3[nH]2)c(C)c1C(=O)[O-]	ZINC000833739679	605236369	/nfs/dbraw/zinc/23/63/69/605236369.db2.gz	GXMTYUPLLDIRBF-UHFFFAOYSA-N	-1	0	324.340	2.635	20	50		DFGDRM
CC(C)CO[C@@H](C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833488603	605245642	/nfs/dbraw/zinc/24/56/42/605245642.db2.gz	BSOWADCDJFLKSZ-VIFPVBQESA-N	-1	0	314.769	2.542	20	50		DFGDRM
O=C([O-])c1ccccc1NNC(=O)CCc1cccc(F)c1F	ZINC000833763796	605259225	/nfs/dbraw/zinc/25/92/25/605259225.db2.gz	HENBEKDMAUUSKG-UHFFFAOYSA-N	-1	0	320.295	2.739	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCC(=O)[O-])c1C	ZINC000833653097	605278638	/nfs/dbraw/zinc/27/86/38/605278638.db2.gz	VOACNBUPQAEECU-GDNBJRDFSA-N	-1	0	318.373	2.830	20	50		DFGDRM
Cc1cc(C(=O)NNc2cccnc2Cl)ccc1NC(=O)[O-]	ZINC000829961516	605326402	/nfs/dbraw/zinc/32/64/02/605326402.db2.gz	IFEDUYGZVIMLBA-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	ZINC000834258563	605476936	/nfs/dbraw/zinc/47/69/36/605476936.db2.gz	YJWNSMFABANZFA-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cc(Cl)ccn2)c1	ZINC000834266750	605478213	/nfs/dbraw/zinc/47/82/13/605478213.db2.gz	HZIOJCIXFGCRQJ-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
C=CCOc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833377694	605734175	/nfs/dbraw/zinc/73/41/75/605734175.db2.gz	JIFIOSANNHQTPZ-UHFFFAOYSA-N	-1	0	312.325	2.707	20	50		DFGDRM
O=C([O-])NC1(CC(=O)NNc2cccc3c2CCCC3)CCC1	ZINC000834155803	605736047	/nfs/dbraw/zinc/73/60/47/605736047.db2.gz	RQQNYEQQWRVTGG-UHFFFAOYSA-N	-1	0	317.389	2.589	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)c2cncc(C(=O)[O-])c2)cc1	ZINC000833449425	605738624	/nfs/dbraw/zinc/73/86/24/605738624.db2.gz	SNTPYOKOQAJIFX-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@@H](C)C1	ZINC000833594269	605743636	/nfs/dbraw/zinc/74/36/36/605743636.db2.gz	MWNJXEZDWPABGB-YABSGUDNSA-N	-1	0	305.378	2.836	20	50		DFGDRM
C[C@@H]1CC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H](C)C1	ZINC000833603431	605744562	/nfs/dbraw/zinc/74/45/62/605744562.db2.gz	LELJXEVSVSBZKO-GYSYKLTISA-N	-1	0	305.378	2.836	20	50		DFGDRM
O=C([O-])NCC1(C(=O)NNc2ccc(Cl)cc2)CCCC1	ZINC000834207092	605763853	/nfs/dbraw/zinc/76/38/53/605763853.db2.gz	PRMGEHXAWVESPE-UHFFFAOYSA-N	-1	0	311.769	2.611	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2cccc(Cl)c2)CC1	ZINC000834048948	605823783	/nfs/dbraw/zinc/82/37/83/605823783.db2.gz	VYZDHEKUHBRLAL-LBPRGKRZSA-N	-1	0	323.780	2.563	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)o1	ZINC000084291509	398397082	/nfs/dbraw/zinc/39/70/82/398397082.db2.gz	JIVCDFIMIRXVSQ-GHMZBOCLSA-N	-1	0	304.371	2.523	20	50		DFGDRM
N#C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C(=O)NC1CCCCC1	ZINC000035495810	264018406	/nfs/dbraw/zinc/01/84/06/264018406.db2.gz	OEILGQLKCQXIOZ-XYOKQWHBSA-N	-1	0	315.329	2.656	20	50		DFGDRM
Cc1cccc(CNC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c1	ZINC000490700431	270002441	/nfs/dbraw/zinc/00/24/41/270002441.db2.gz	VKEYLSMTNXFIQE-LICLKQGHSA-N	-1	0	320.348	2.917	20	50		DFGDRM
CCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000490663272	270002541	/nfs/dbraw/zinc/00/25/41/270002541.db2.gz	IOVSHJHOPRFQIM-MDWZMJQESA-N	-1	0	324.340	2.537	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C\c1cc(C(=O)[O-])c(C)cc1C	ZINC000490694503	267008153	/nfs/dbraw/zinc/00/81/53/267008153.db2.gz	LEALODZXPQVZHT-ZSOIEALJSA-N	-1	0	300.358	2.825	20	50		DFGDRM
CCCN([N-]C(=O)c1cc(C)c(C#N)cn1)C(=O)OC(C)(C)C	ZINC000496756827	267017828	/nfs/dbraw/zinc/01/78/28/267017828.db2.gz	JTTFAUCRTXFWBB-UHFFFAOYSA-N	-1	0	318.377	2.554	20	50		DFGDRM
CC(C)(C(=O)NN=Cc1ccccc1C(=O)[O-])c1ccccc1	ZINC000731153629	599886365	/nfs/dbraw/zinc/88/63/65/599886365.db2.gz	VZTCOVPRTAOLMS-UHFFFAOYSA-N	-1	0	310.353	2.813	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)c2cccc3ccccc32)[nH]1	ZINC000749813771	601336862	/nfs/dbraw/zinc/33/68/62/601336862.db2.gz	BNRFOEZQTWMAQV-UHFFFAOYSA-N	-1	0	307.309	2.630	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)c1c[nH]c2ccccc12	ZINC000833063783	601445584	/nfs/dbraw/zinc/44/55/84/601445584.db2.gz	LRDNSGLEUYHMHB-JXMROGBWSA-N	-1	0	305.293	2.984	20	50		DFGDRM
O=C([O-])[C@]1(F)CCN(C(=O)CCCC[C@@H]2CCSS2)C1	ZINC000833097090	601654703	/nfs/dbraw/zinc/65/47/03/601654703.db2.gz	FRQPLEWCNOHIIY-MFKMUULPSA-N	-1	0	321.439	2.726	20	50		DFGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccccc1Cl	ZINC000833064203	601789575	/nfs/dbraw/zinc/78/95/75/601789575.db2.gz	PQAQEMGRGFAYSZ-BJMVGYQFSA-N	-1	0	315.716	2.912	20	50		DFGDRM
CCc1[nH]c(C(=O)NNc2cc(C)ccc2F)c(C)c1C(=O)[O-]	ZINC000830196070	602050464	/nfs/dbraw/zinc/05/04/64/602050464.db2.gz	FJZJVRHWWDZTEI-UHFFFAOYSA-N	-1	0	319.336	2.788	20	50		DFGDRM
C[C@@H](CC(=O)[O-])C(=O)NN(Cc1ccccc1)c1ccccc1	ZINC000827304372	602077294	/nfs/dbraw/zinc/07/72/94/602077294.db2.gz	SJMUGKNYJUSPHO-AWEZNQCLSA-N	-1	0	312.369	2.835	20	50		DFGDRM
CC[C@H](NC(=O)[O-])C(=O)NN(c1ccccc1)c1ccccc1	ZINC000739531998	602371643	/nfs/dbraw/zinc/37/16/43/602371643.db2.gz	JDSNTNBZIMCNIA-HNNXBMFYSA-N	-1	0	313.357	2.902	20	50		DFGDRM
O=C([O-])NC[C@@H]1CCCC1=NNC(=O)CCCc1cccs1	ZINC000740621047	603321386	/nfs/dbraw/zinc/32/13/86/603321386.db2.gz	VNOUCYUWNQQIMY-NSHDSACASA-N	-1	0	323.418	2.611	20	50		DFGDRM
O=C([O-])Nc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cn1	ZINC000832840320	603486130	/nfs/dbraw/zinc/48/61/30/603486130.db2.gz	HQIVUAUWVLLFDL-UHFFFAOYSA-N	-1	0	318.720	2.589	20	50		DFGDRM
CN(C(=O)[O-])[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000827815807	604214458	/nfs/dbraw/zinc/21/44/58/604214458.db2.gz	FXQZIAXJGFPFPY-VLHYRRCOSA-N	-1	0	303.337	2.764	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccc(F)cc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824679650	604298129	/nfs/dbraw/zinc/29/81/29/604298129.db2.gz	MHDHBOKNUPSXQV-VXGBXAGGSA-N	-1	0	323.368	2.685	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccccc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824678587	604577816	/nfs/dbraw/zinc/57/78/16/604577816.db2.gz	CJYGIYNDACOUTA-STQMWFEESA-N	-1	0	305.378	2.546	20	50		DFGDRM
CC(=NNC(=O)c1ccc(N)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814690676	604632875	/nfs/dbraw/zinc/63/28/75/604632875.db2.gz	VBVKFXSTESIUMX-NSHDSACASA-N	-1	0	305.378	2.656	20	50		DFGDRM
CC(=NNC(=O)NCC(F)(F)F)[C@H](C)CCCCC(=O)[O-]	ZINC000814812158	604638091	/nfs/dbraw/zinc/63/80/91/604638091.db2.gz	JTZPAGHRGIBRMD-MRVPVSSYSA-N	-1	0	311.304	2.505	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccc(F)cc1)C1CCN(C(=O)[O-])CC1	ZINC000824680363	604679919	/nfs/dbraw/zinc/67/99/19/604679919.db2.gz	UUVRSBQCWTVVIF-LLVKDONJSA-N	-1	0	323.368	2.685	20	50		DFGDRM
COc1ccc(NNC(=O)CC(C)(C)CC(=O)[O-])cc1Cl	ZINC000833733460	605244913	/nfs/dbraw/zinc/24/49/13/605244913.db2.gz	QLWZWOGRCCJUIX-UHFFFAOYSA-N	-1	0	314.769	2.683	20	50		DFGDRM
CCc1noc(C)c1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833679828	605246123	/nfs/dbraw/zinc/24/61/23/605246123.db2.gz	YTBVIPCRJXTBGV-UHFFFAOYSA-N	-1	0	323.736	2.654	20	50		DFGDRM
CC(C)C[C@@H](C)OCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833476017	605260618	/nfs/dbraw/zinc/26/06/18/605260618.db2.gz	WURPFPVLNGBXLW-GFCCVEGCSA-N	-1	0	308.378	2.669	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(OCc2cccc(F)c2)c1	ZINC000834250393	605677244	/nfs/dbraw/zinc/67/72/44/605677244.db2.gz	IRINZVDPUFOQSP-UHFFFAOYSA-N	-1	0	319.292	2.709	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(COC2CCCCC2)c1	ZINC000834250600	605677261	/nfs/dbraw/zinc/67/72/61/605677261.db2.gz	KWAVNBKSMRMQBT-UHFFFAOYSA-N	-1	0	307.350	2.840	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2cccc(F)c2)ccc1F	ZINC000834253496	605719764	/nfs/dbraw/zinc/71/97/64/605719764.db2.gz	RWWJCVYEFNZMEI-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1[C@H]1CCCC1=NNC(=O)c1ccccc1	ZINC000834044627	605721289	/nfs/dbraw/zinc/72/12/89/605721289.db2.gz	GXGLXOBCMVHSNT-ZFWWWQNUSA-N	-1	0	315.373	2.715	20	50		DFGDRM
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccccc2Cl)C1	ZINC000834169314	605723294	/nfs/dbraw/zinc/72/32/94/605723294.db2.gz	LVMCJYGEAFGGNN-VHSXEESVSA-N	-1	0	311.769	2.610	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1C(=O)NNc1cc(Cl)ccc1Cl	ZINC000831742637	605734531	/nfs/dbraw/zinc/73/45/31/605734531.db2.gz	MIABYLZSJCEJBE-JTQLQIEISA-N	-1	0	318.160	2.579	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cccc(F)c1F	ZINC000834271741	606073460	/nfs/dbraw/zinc/07/34/60/606073460.db2.gz	DYXPSBNFYFBDMQ-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
Cc1nc(-c2cccs2)sc1C(=O)[N-]NC(=O)CC(C)C	ZINC000010160811	398376740	/nfs/dbraw/zinc/37/67/40/398376740.db2.gz	CODAHFNOJCJGGS-UHFFFAOYSA-N	-1	0	323.443	2.987	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OC/C=C/Cl)cc1	ZINC000491109086	267161684	/nfs/dbraw/zinc/16/16/84/267161684.db2.gz	ZIIHZBJTZZWYEP-ZUVDZHCASA-N	-1	0	306.749	2.793	20	50		DFGDRM
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000490637773	269638279	/nfs/dbraw/zinc/63/82/79/269638279.db2.gz	JFCJWIDBZIPNBK-AUWJEWJLSA-N	-1	0	324.340	2.708	20	50		DFGDRM
CC(C)(C(=O)NN=C1CCC(C(=O)[O-])CC1)c1ccccc1	ZINC000737571435	598096567	/nfs/dbraw/zinc/09/65/67/598096567.db2.gz	FAAWIMFHOCDPEI-UHFFFAOYSA-N	-1	0	302.374	2.711	20	50		DFGDRM
O=C([O-])c1ccc(NC(=O)NNc2ncccc2Cl)c(F)c1	ZINC000821458224	598147921	/nfs/dbraw/zinc/14/79/21/598147921.db2.gz	QNPSJNLCQBSKBP-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	ZINC000821544536	598158450	/nfs/dbraw/zinc/15/84/50/598158450.db2.gz	TWTVOBDJRYDHTH-UHFFFAOYSA-N	-1	0	322.267	2.743	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)COC2CCCCC2)ccc1[N+](=O)[O-]	ZINC000739321010	600457735	/nfs/dbraw/zinc/45/77/35/600457735.db2.gz	CBDMYONVXIMFIJ-UHFFFAOYSA-N	-1	0	323.301	2.548	20	50		DFGDRM
CN(C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])o1)C1CCCCC1	ZINC000737311264	600472763	/nfs/dbraw/zinc/47/27/63/600472763.db2.gz	MNNXOKIVAKZHMO-LUAWRHEFSA-N	-1	0	302.330	2.676	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc2ccccc21)c1ccccc1	ZINC000833149282	600753401	/nfs/dbraw/zinc/75/34/01/600753401.db2.gz	LMEZHODFLQCFIM-KRWDZBQOSA-N	-1	0	320.348	2.900	20	50		DFGDRM
O=C([O-])Nc1cccc(C(=O)NNc2cccc(F)c2F)c1	ZINC000833290670	600782015	/nfs/dbraw/zinc/78/20/15/600782015.db2.gz	GWXQIQMXVLBEDT-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
N#C/C(=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000743248560	600994665	/nfs/dbraw/zinc/99/46/65/600994665.db2.gz	XZHMYCHHMJXSEL-GXJZLWQJSA-N	-1	0	307.733	2.889	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C)c1	ZINC000832874937	601212641	/nfs/dbraw/zinc/21/26/41/601212641.db2.gz	QBKXKVSZWNPDOC-UONOGXRCSA-N	-1	0	304.390	2.946	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C)c1	ZINC000832874934	601212765	/nfs/dbraw/zinc/21/27/65/601212765.db2.gz	QBKXKVSZWNPDOC-KGLIPLIRSA-N	-1	0	304.390	2.946	20	50		DFGDRM
CC(C)CC(=O)NN[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000826754379	601970721	/nfs/dbraw/zinc/97/07/21/601970721.db2.gz	MFXWHJIOGHTAOX-GFCCVEGCSA-N	-1	0	319.188	2.786	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)CCc2ccc(C(=O)[O-])cc2)c1	ZINC000832935244	602051011	/nfs/dbraw/zinc/05/10/11/602051011.db2.gz	DITLLXGBWOOCQF-UHFFFAOYSA-N	-1	0	316.332	2.908	20	50		DFGDRM
CN(CCCC(=O)NNc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000737426582	602326996	/nfs/dbraw/zinc/32/69/96/602326996.db2.gz	FUIGPMINNQMNKD-UHFFFAOYSA-N	-1	0	319.283	2.539	20	50		DFGDRM
Cc1ccc(C(=O)NNc2cccnc2Cl)cc1NC(=O)[O-]	ZINC000830225827	604105587	/nfs/dbraw/zinc/10/55/87/604105587.db2.gz	YITMXCKZKVUEPB-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
CC(C)=CCCC(C)=NNC(=O)NC1CCN(C(=O)[O-])CC1	ZINC000824038814	604202957	/nfs/dbraw/zinc/20/29/57/604202957.db2.gz	NBVYPFYEPCBZPH-UHFFFAOYSA-N	-1	0	310.398	2.550	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	ZINC000833309651	604627945	/nfs/dbraw/zinc/62/79/45/604627945.db2.gz	DNIDADPZUHMVOD-LZCJLJQNSA-N	-1	0	304.733	2.716	20	50		DFGDRM
CC(=NNC(=O)c1ccc(O)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814692006	604632886	/nfs/dbraw/zinc/63/28/86/604632886.db2.gz	WENJOFDQXOWYJD-NSHDSACASA-N	-1	0	306.362	2.779	20	50		DFGDRM
CC(C)[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833466184	604799996	/nfs/dbraw/zinc/79/99/96/604799996.db2.gz	UXBARKNRGGRNSX-HNNXBMFYSA-N	-1	0	313.357	2.663	20	50		DFGDRM
Cc1cc(F)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000832890606	604863460	/nfs/dbraw/zinc/86/34/60/604863460.db2.gz	YNRHMDAIXANJOQ-UHFFFAOYSA-N	-1	0	319.244	2.960	20	50		DFGDRM
CCc1[nH]c(C(=O)NNc2ccc(F)cc2C)c(C)c1C(=O)[O-]	ZINC000833667154	604937842	/nfs/dbraw/zinc/93/78/42/604937842.db2.gz	DGOVLIQOMLLDAE-UHFFFAOYSA-N	-1	0	319.336	2.788	20	50		DFGDRM
O=C([O-])c1ccccc1NNC(=O)COc1ccc(Cl)cc1	ZINC000833764487	605259336	/nfs/dbraw/zinc/25/93/36/605259336.db2.gz	JJYRDLQRTMGGPN-UHFFFAOYSA-N	-1	0	320.732	2.560	20	50		DFGDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1cccc(Cl)c1	ZINC000824759115	605460381	/nfs/dbraw/zinc/46/03/81/605460381.db2.gz	IFTDLVUVWLTDCD-CYBMUJFWSA-N	-1	0	323.780	2.978	20	50		DFGDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc(C)oc1C	ZINC000824759035	605460528	/nfs/dbraw/zinc/46/05/28/605460528.db2.gz	GRKDFRYKJYCSID-GFCCVEGCSA-N	-1	0	307.350	2.535	20	50		DFGDRM
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833382462	605466736	/nfs/dbraw/zinc/46/67/36/605466736.db2.gz	DTFPJILIWQCNQW-FMIVXFBMSA-N	-1	0	311.341	2.635	20	50		DFGDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccccn1	ZINC000824759225	605474204	/nfs/dbraw/zinc/47/42/04/605474204.db2.gz	JPTVKMQAQMMLCA-CYBMUJFWSA-N	-1	0	318.377	2.500	20	50		DFGDRM
O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NNc1ccccc1	ZINC000832356055	605527691	/nfs/dbraw/zinc/52/76/91/605527691.db2.gz	AQSQCCFTKTWEDJ-KBPBESRZSA-N	-1	0	305.378	2.736	20	50		DFGDRM
O=C([O-])N1CCc2c1cccc2NC(=O)NNc1ccccc1	ZINC000834048507	605659278	/nfs/dbraw/zinc/65/92/78/605659278.db2.gz	MCOLNLQZQYZIQT-UHFFFAOYSA-N	-1	0	312.329	2.876	20	50		DFGDRM
O=C([O-])Nc1ccccc1C(=O)NNc1c(F)cccc1F	ZINC000834270012	605721232	/nfs/dbraw/zinc/72/12/32/605721232.db2.gz	MWIQUXPQSCWOFG-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
C[C@H]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833608052	605741607	/nfs/dbraw/zinc/74/16/07/605741607.db2.gz	LOLOQQRZQSOGCR-NWDGAFQWSA-N	-1	0	305.378	2.837	20	50		DFGDRM
CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1c(C)noc1C	ZINC000833636405	605774857	/nfs/dbraw/zinc/77/48/57/605774857.db2.gz	QMWYRHLCFIWPPB-CYBMUJFWSA-N	-1	0	317.345	2.627	20	50		DFGDRM
COc1ccc(NNC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1	ZINC000829483050	605899710	/nfs/dbraw/zinc/89/97/10/605899710.db2.gz	CUHXPXROUVDMTD-UHFFFAOYSA-N	-1	0	315.329	2.850	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1ccc(C(F)(F)F)cc1	ZINC000834234889	605926478	/nfs/dbraw/zinc/92/64/78/605926478.db2.gz	ZFFUPYDRZUMCMW-UHFFFAOYSA-N	-1	0	319.283	2.586	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2ccc(Cl)cc2)CC1	ZINC000834047574	605963216	/nfs/dbraw/zinc/96/32/16/605963216.db2.gz	LAEIEJAQOBUKDD-GFCCVEGCSA-N	-1	0	323.780	2.563	20	50		DFGDRM
O=C([O-])N1CCCC(=NNC(=O)c2cccc(Cl)c2)CC1	ZINC000834044585	605990860	/nfs/dbraw/zinc/99/08/60/605990860.db2.gz	GJYWRCSZPUFQSO-UHFFFAOYSA-N	-1	0	309.753	2.590	20	50		DFGDRM
Cc1ccoc1C(=O)[N-]NC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000017158972	398403196	/nfs/dbraw/zinc/40/31/96/398403196.db2.gz	WGGIBJCRQJYEFK-UHFFFAOYSA-N	-1	0	302.374	2.565	20	50		DFGDRM
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000192774638	269928781	/nfs/dbraw/zinc/92/87/81/269928781.db2.gz	NWWKKPZWLAYCDJ-KPKJPENVSA-N	-1	0	311.297	2.535	20	50		DFGDRM
CCCN([N-]C(=O)c1sccc1C#N)C(=O)OC(C)(C)C	ZINC000495694413	267017594	/nfs/dbraw/zinc/01/75/94/267017594.db2.gz	BKKWQOJBXOMWSK-UHFFFAOYSA-N	-1	0	309.391	2.912	20	50		DFGDRM
CCCO[N-]C(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	ZINC000491005399	267026901	/nfs/dbraw/zinc/02/69/01/267026901.db2.gz	AZUPDMICVYKDJD-LWLPBDFMSA-N	-1	0	319.405	2.677	20	50		DFGDRM
CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)[O-]	ZINC000221414222	597185166	/nfs/dbraw/zinc/18/51/66/597185166.db2.gz	RTTUGKYFSHUCBM-CMPLNLGQSA-N	-1	0	305.465	2.926	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	ZINC000814862929	598097131	/nfs/dbraw/zinc/09/71/31/598097131.db2.gz	XSVULUMCXJCSJJ-UHFFFAOYSA-N	-1	0	312.728	2.840	20	50		DFGDRM
O=C([O-])Cc1ccccc1NC(=O)NNc1ccccc1F	ZINC000821538258	598147441	/nfs/dbraw/zinc/14/74/41/598147441.db2.gz	JKFVXWDFJBZSGC-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])[C@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	ZINC000739550260	600057811	/nfs/dbraw/zinc/05/78/11/600057811.db2.gz	XSRBZUWHFJHARG-WDSKDSINSA-N	-1	0	323.563	2.811	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	ZINC000739454369	600418906	/nfs/dbraw/zinc/41/89/06/600418906.db2.gz	RFKOFWREJMSCEW-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
CCc1[nH]c(C(=O)NNc2c(F)cccc2F)c(C)c1C(=O)[O-]	ZINC000737245175	600502968	/nfs/dbraw/zinc/50/29/68/600502968.db2.gz	XJEMAYQNAYPOAM-UHFFFAOYSA-N	-1	0	323.299	2.619	20	50		DFGDRM
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccco1	ZINC000736223430	600842195	/nfs/dbraw/zinc/84/21/95/600842195.db2.gz	JVAOALKHJOYNOM-QMMMGPOBSA-N	-1	0	305.242	2.595	20	50		DFGDRM
CCC(=NNC(=O)[O-])c1ccc(I)cc1	ZINC000736835430	600981308	/nfs/dbraw/zinc/98/13/08/600981308.db2.gz	MRHBVSYQLHLHTK-UHFFFAOYSA-N	-1	0	318.114	2.673	20	50		DFGDRM
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC(CC(=O)[O-])CC1	ZINC000833062716	601413826	/nfs/dbraw/zinc/41/38/26/601413826.db2.gz	PIEPOKYQRDLCLZ-PJQLUOCWSA-N	-1	0	315.329	2.646	20	50		DFGDRM
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)[O-])CC1	ZINC000833062295	601414096	/nfs/dbraw/zinc/41/40/96/601414096.db2.gz	KZVXZCMZLIZJMS-SYZQJQIISA-N	-1	0	315.329	2.646	20	50		DFGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	ZINC000833064259	601789471	/nfs/dbraw/zinc/78/94/71/601789471.db2.gz	QLPGZPDWQNHMQS-BJMVGYQFSA-N	-1	0	315.716	2.912	20	50		DFGDRM
Cc1cccc(NC(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)c1C	ZINC000832971553	601789537	/nfs/dbraw/zinc/78/95/37/601789537.db2.gz	TUCSEWSYSRUWRX-AWNIVKPZSA-N	-1	0	309.325	2.875	20	50		DFGDRM
O=C([O-])Nc1ccc(C=NNC(=O)CCC2CCCCC2)cn1	ZINC000832838257	603487717	/nfs/dbraw/zinc/48/77/17/603487717.db2.gz	FZJHMQQOIJZPCF-UHFFFAOYSA-N	-1	0	318.377	2.982	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000830586464	604578977	/nfs/dbraw/zinc/57/89/77/604578977.db2.gz	NHASRNJVZCKRGH-UONOGXRCSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(C(=O)[O-])cc1	ZINC000825804558	604638752	/nfs/dbraw/zinc/63/87/52/604638752.db2.gz	MCTREZNCNRFHQF-UHFFFAOYSA-N	-1	0	312.325	2.553	20	50		DFGDRM
CC(=NNC(=O)Cc1ccccc1F)c1ccc(C(=O)[O-])cc1	ZINC000731317153	604640159	/nfs/dbraw/zinc/64/01/59/604640159.db2.gz	VSDXKUDVZWZZDQ-UHFFFAOYSA-N	-1	0	314.316	2.607	20	50		DFGDRM
Cc1c(NC(=O)NNc2ccccc2F)cccc1C(=O)[O-]	ZINC000833742737	604723694	/nfs/dbraw/zinc/72/36/94/604723694.db2.gz	YBDDHODZGGKVKI-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccccc1SCc1cccs1	ZINC000832748344	605187170	/nfs/dbraw/zinc/18/71/70/605187170.db2.gz	HJXUNXLFHWHUBO-UHFFFAOYSA-N	-1	0	308.384	2.953	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1	ZINC000830521389	605255143	/nfs/dbraw/zinc/25/51/43/605255143.db2.gz	GSDJSMLTHFQMBJ-CYBMUJFWSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)[O-])nc2)cc1	ZINC000833448824	605313144	/nfs/dbraw/zinc/31/31/44/605313144.db2.gz	HWBPPBSEBTUYTF-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
O=C([O-])Nc1ccccc1C(=O)NNc1cc(Cl)ccn1	ZINC000834269982	605478268	/nfs/dbraw/zinc/47/82/68/605478268.db2.gz	DJEIYTAQMVQMLH-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NNc1ccccc1	ZINC000832356056	605527811	/nfs/dbraw/zinc/52/78/11/605527811.db2.gz	AQSQCCFTKTWEDJ-KGLIPLIRSA-N	-1	0	305.378	2.736	20	50		DFGDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000833812815	605561215	/nfs/dbraw/zinc/56/12/15/605561215.db2.gz	LVARWCLKUTXOFB-CYUZDDSQSA-N	-1	0	303.337	2.668	20	50		DFGDRM
C[C@H](NC(=O)[O-])[C@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000833812818	605561602	/nfs/dbraw/zinc/56/16/02/605561602.db2.gz	LVARWCLKUTXOFB-WMTJNEATSA-N	-1	0	303.337	2.668	20	50		DFGDRM
CC(C)c1cc(NC(=O)NNc2cccc(C(=O)[O-])c2)no1	ZINC000833509158	605713561	/nfs/dbraw/zinc/71/35/61/605713561.db2.gz	FWHFIZYOFNPHQI-UHFFFAOYSA-N	-1	0	304.306	2.645	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2ccccc2F)cc1	ZINC000834256778	605718281	/nfs/dbraw/zinc/71/82/81/605718281.db2.gz	SDGYEVYKMINCDB-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
CC(C)Oc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833507624	605732596	/nfs/dbraw/zinc/73/25/96/605732596.db2.gz	YASNNQJEAKJYFE-UHFFFAOYSA-N	-1	0	314.341	2.929	20	50		DFGDRM
O=C([O-])c1cccc(NNC(=O)COc2ccc(Cl)cc2)c1	ZINC000833764678	605736460	/nfs/dbraw/zinc/73/64/60/605736460.db2.gz	OTCMSJJUCFUXNW-UHFFFAOYSA-N	-1	0	320.732	2.560	20	50		DFGDRM
O=C([O-])c1cccc(NNC(=O)CCc2cccc(F)c2F)c1	ZINC000833763837	605736478	/nfs/dbraw/zinc/73/64/78/605736478.db2.gz	JAGVXHKYZCWDJT-UHFFFAOYSA-N	-1	0	320.295	2.739	20	50		DFGDRM
CC(C)[C@@H](NC(=O)NNC(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000833792720	605754956	/nfs/dbraw/zinc/75/49/56/605754956.db2.gz	MYIVDFXZFLDQTO-SNVBAGLBSA-N	-1	0	319.283	2.884	20	50		DFGDRM
CC(C)[C@H](NC(=O)NNC(=O)[O-])c1ccc(Cl)cc1F	ZINC000833792708	605917889	/nfs/dbraw/zinc/91/78/89/605917889.db2.gz	MQNVORXZEKHYIU-JTQLQIEISA-N	-1	0	303.721	2.658	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1c(Cl)cccc1Cl	ZINC000834234005	605926386	/nfs/dbraw/zinc/92/63/86/605926386.db2.gz	HPVHBXQZMNXCFR-UHFFFAOYSA-N	-1	0	320.176	2.874	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)NCC[C@H](C)c2ccccc2)o1	ZINC000084155917	398394878	/nfs/dbraw/zinc/39/48/78/398394878.db2.gz	OQVGGXZTMNVRLA-LBPRGKRZSA-N	-1	0	315.373	2.726	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1Cl	ZINC000188720703	266031286	/nfs/dbraw/zinc/03/12/86/266031286.db2.gz	PPVCVWDXXXPASM-DHZHZOJOSA-N	-1	0	306.749	2.861	20	50		DFGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]OCCOCC)c1C	ZINC000184760116	266086671	/nfs/dbraw/zinc/08/66/71/266086671.db2.gz	QKGSGGLBLOFIOB-LFIBNONCSA-N	-1	0	319.405	2.506	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCc2cccc(/C=C(/C#N)C(=O)[O-])c21	ZINC000493632404	266856900	/nfs/dbraw/zinc/85/69/00/266856900.db2.gz	VKLKIHMTEQZDOT-LCYFTJDESA-N	-1	0	314.341	2.976	20	50		DFGDRM
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000490944443	267246637	/nfs/dbraw/zinc/24/66/37/267246637.db2.gz	WKVJKSZNRQZEBQ-LCYFTJDESA-N	-1	0	321.336	2.888	20	50		DFGDRM
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)c1	ZINC000490698489	268053159	/nfs/dbraw/zinc/05/31/59/268053159.db2.gz	RWLUHMOWTNRXPE-YVLHZVERSA-N	-1	0	320.348	2.917	20	50		DFGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)NCCc1ccccc1	ZINC000490871531	268156146	/nfs/dbraw/zinc/15/61/46/268156146.db2.gz	AAYHCLAAMPEFJD-SFQUDFHCSA-N	-1	0	320.348	2.651	20	50		DFGDRM
O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)c2ccc[nH]2)o1	ZINC000739455363	599735949	/nfs/dbraw/zinc/73/59/49/599735949.db2.gz	ZPUJSWVZGYBYIR-UHFFFAOYSA-N	-1	0	323.308	2.737	20	50		DFGDRM
CC[C@H](C(=O)NN=Cc1ccc(C(=O)[O-])o1)c1ccccc1	ZINC000736846375	600180979	/nfs/dbraw/zinc/18/09/79/600180979.db2.gz	HGJMNGCBTAIDMR-ZDUSSCGKSA-N	-1	0	300.314	2.622	20	50		DFGDRM
CN(C(=O)/C(C#N)=C/c1ccoc1C(=O)[O-])C1CCCCC1	ZINC000737312311	600473009	/nfs/dbraw/zinc/47/30/09/600473009.db2.gz	YGCPQCATXWKNMF-FMIVXFBMSA-N	-1	0	302.330	2.676	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)s1	ZINC000833311638	601123212	/nfs/dbraw/zinc/12/32/12/601123212.db2.gz	XBGVJMGYXJYUGU-UHFFFAOYSA-N	-1	0	314.725	2.996	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)c2ccc3ccccc3c2)[nH]1	ZINC000749816205	601337181	/nfs/dbraw/zinc/33/71/81/601337181.db2.gz	YUWLWCGZKJZLMG-UHFFFAOYSA-N	-1	0	307.309	2.630	20	50		DFGDRM
O=C([O-])NN=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	ZINC000833280286	601499392	/nfs/dbraw/zinc/49/93/92/601499392.db2.gz	DZUCKHMGIQRPTO-UHFFFAOYSA-N	-1	0	301.258	2.989	20	50		DFGDRM
O=C([O-])[C@]1(F)CCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000833097088	601654888	/nfs/dbraw/zinc/65/48/88/601654888.db2.gz	FRQPLEWCNOHIIY-GWCFXTLKSA-N	-1	0	321.439	2.726	20	50		DFGDRM
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H]1C(=O)[O-]	ZINC000828333077	601717850	/nfs/dbraw/zinc/71/78/50/601717850.db2.gz	CYOIIEJEWPVWOR-UTUOFQBUSA-N	-1	0	317.476	2.880	20	50		DFGDRM
Cc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c(C(=O)[O-])c2)c(C)c1	ZINC000832943254	601789602	/nfs/dbraw/zinc/78/96/02/601789602.db2.gz	UBHGINAYHKCHEL-MLPAPPSSSA-N	-1	0	309.325	2.875	20	50		DFGDRM
CCC[C@H](NC(=O)[O-])C(=O)NNc1cccc(C(F)(F)F)c1	ZINC000739318827	602573403	/nfs/dbraw/zinc/57/34/03/602573403.db2.gz	CLPLIGLHWUBYHN-JTQLQIEISA-N	-1	0	319.283	2.585	20	50		DFGDRM
O=C([O-])NNC(=O)NCc1ccccc1Oc1cccc(F)c1	ZINC000740684248	602657140	/nfs/dbraw/zinc/65/71/40/602657140.db2.gz	ZCWXZWNOZAWOOC-UHFFFAOYSA-N	-1	0	319.292	2.600	20	50		DFGDRM
CN(N=Cc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)[O-]	ZINC000739720889	602693533	/nfs/dbraw/zinc/69/35/33/602693533.db2.gz	LYZAQMFCNYTNEJ-UHFFFAOYSA-N	-1	0	323.150	2.783	20	50		DFGDRM
C[C@H](C(=O)NNc1ccccc1)[C@H](NC(=O)[O-])c1ccccc1	ZINC000823701164	603445782	/nfs/dbraw/zinc/44/57/82/603445782.db2.gz	AIPSFOPIQGBYHQ-WFASDCNBSA-N	-1	0	313.357	2.775	20	50		DFGDRM
Cc1ccnc(NNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1	ZINC000830611994	603481020	/nfs/dbraw/zinc/48/10/20/603481020.db2.gz	SUBYKMKMWLHESE-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
Cc1ccc(C(=O)NNc2ncccc2Cl)cc1NC(=O)[O-]	ZINC000830225175	603621270	/nfs/dbraw/zinc/62/12/70/603621270.db2.gz	HHWCWQQPCKUHAE-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000826837103	603808255	/nfs/dbraw/zinc/80/82/55/603808255.db2.gz	VLZXIIJKZDPUIH-UVTDQMKNSA-N	-1	0	313.357	2.550	20	50		DFGDRM
COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC(=O)[O-])c1	ZINC000829531742	604345832	/nfs/dbraw/zinc/34/58/32/604345832.db2.gz	OKFOUBMMLOUPPU-UHFFFAOYSA-N	-1	0	316.361	2.915	20	50		DFGDRM
C[C@H](CC(=O)NN(C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824671012	604577839	/nfs/dbraw/zinc/57/78/39/604577839.db2.gz	DEIZYWLRUXUCEL-KGLIPLIRSA-N	-1	0	319.405	2.570	20	50		DFGDRM
C=C(C)[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)OCC	ZINC000833368901	604620317	/nfs/dbraw/zinc/62/03/17/604620317.db2.gz	WWOWKYGEBOOWDA-ZDUSSCGKSA-N	-1	0	323.301	2.570	20	50		DFGDRM
O=C([O-])Cc1ccc(NC(=O)NNc2ccccc2F)cc1	ZINC000833775435	604731700	/nfs/dbraw/zinc/73/17/00/604731700.db2.gz	IJLSWHSWQPTZMC-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])Cc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	ZINC000833775647	604731854	/nfs/dbraw/zinc/73/18/54/604731854.db2.gz	OVMZPOYOYMJVDU-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccc(N2CCCc3ccccc32)cc1	ZINC000832748037	605268626	/nfs/dbraw/zinc/26/86/26/605268626.db2.gz	BUJICJGXDSXWGQ-UHFFFAOYSA-N	-1	0	311.341	2.683	20	50		DFGDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccoc1	ZINC000824759250	605474332	/nfs/dbraw/zinc/47/43/32/605474332.db2.gz	JXIFWDOIICLAKR-ZDUSSCGKSA-N	-1	0	307.350	2.698	20	50		DFGDRM
CC(=NNC(=O)NCC(=O)[O-])c1ccc(-c2cccs2)cc1	ZINC000833385267	605593076	/nfs/dbraw/zinc/59/30/76/605593076.db2.gz	UPZAKNNAPILTRK-UHFFFAOYSA-N	-1	0	317.370	2.523	20	50		DFGDRM
O=C([O-])c1ccccc1NNC(=O)C(F)(F)c1ccccc1	ZINC000833783819	605722347	/nfs/dbraw/zinc/72/23/47/605722347.db2.gz	UBXXGHLRAZUIHW-UHFFFAOYSA-N	-1	0	306.268	2.620	20	50		DFGDRM
Cc1cc(F)c(C(=O)NNc2ccccc2C(=O)[O-])cc1F	ZINC000833744350	605722403	/nfs/dbraw/zinc/72/24/03/605722403.db2.gz	BOJYELXPESPJHQ-UHFFFAOYSA-N	-1	0	306.268	2.728	20	50		DFGDRM
O=C([O-])N[C@@H]1CC(=NNC(=O)c2ccccc2)c2ccccc21	ZINC000834157709	605739613	/nfs/dbraw/zinc/73/96/13/605739613.db2.gz	LVRLZMMTIHLTHN-CQSZACIVSA-N	-1	0	309.325	2.533	20	50		DFGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccs1	ZINC000833521680	605739710	/nfs/dbraw/zinc/73/97/10/605739710.db2.gz	QEUMTNKVRCBAOV-SECBINFHSA-N	-1	0	305.359	2.834	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)c2ccnc(C(=O)[O-])c2)cc1	ZINC000833448687	605774165	/nfs/dbraw/zinc/77/41/65/605774165.db2.gz	CUKNRXRSKCDVGS-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccnc(F)c2)c(Cl)c1	ZINC000834254865	605875881	/nfs/dbraw/zinc/87/58/81/605875881.db2.gz	DEICEDTWTRLAIP-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
CCCc1nc(C)c(C(=O)[N-]NC(=O)c2ccccc2F)s1	ZINC000042817671	398603507	/nfs/dbraw/zinc/60/35/07/398603507.db2.gz	BYMJCSSCKNPRSE-UHFFFAOYSA-N	-1	0	321.377	2.618	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1Cl	ZINC000490811131	267007467	/nfs/dbraw/zinc/00/74/67/267007467.db2.gz	DFXYMWCYLHQDHX-KPKJPENVSA-N	-1	0	306.749	2.861	20	50		DFGDRM
C[C@H]1Oc2ccccc2[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	ZINC000366499527	267249166	/nfs/dbraw/zinc/24/91/66/267249166.db2.gz	FYSLIBMTMYMXBA-WSMTZQLESA-N	-1	0	320.348	2.938	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)c2ccc(Cl)cc2F)c1	ZINC000814862607	598201496	/nfs/dbraw/zinc/20/14/96/598201496.db2.gz	NSQFPCCPMWCWFC-UHFFFAOYSA-N	-1	0	320.707	2.941	20	50		DFGDRM
CC(C)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)on1	ZINC000736515241	600250453	/nfs/dbraw/zinc/25/04/53/600250453.db2.gz	JMYCQYFAQLXMCJ-UHFFFAOYSA-N	-1	0	320.257	2.624	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)Cc2cccc(F)c2)ccc1[N+](=O)[O-]	ZINC000739346556	600458946	/nfs/dbraw/zinc/45/89/46/600458946.db2.gz	ZRBJMLFHHQYPEW-UHFFFAOYSA-N	-1	0	319.244	2.580	20	50		DFGDRM
C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)n1cccc1	ZINC000736564179	600588597	/nfs/dbraw/zinc/58/85/97/600588597.db2.gz	ZMNZZBQSOMKLFO-JTQLQIEISA-N	-1	0	318.285	2.651	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(COCc2ccccc2)cc1	ZINC000833280427	601076472	/nfs/dbraw/zinc/07/64/72/601076472.db2.gz	IRPOXXPPFQYLIK-UHFFFAOYSA-N	-1	0	315.329	2.708	20	50		DFGDRM
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819084674	601141362	/nfs/dbraw/zinc/14/13/62/601141362.db2.gz	YZDISDFTAYCKPO-OQLLNIDSSA-N	-1	0	323.304	2.741	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	ZINC000833149289	601349607	/nfs/dbraw/zinc/34/96/07/601349607.db2.gz	LTKMVSODGAEGSV-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
CC(C)(CNC(=O)CCCC[C@@H]1CCSS1)NC(=O)[O-]	ZINC000823906995	603670098	/nfs/dbraw/zinc/67/00/98/603670098.db2.gz	MUZUFDZOGHBSLT-SNVBAGLBSA-N	-1	0	320.480	2.863	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000826842578	603808259	/nfs/dbraw/zinc/80/82/59/603808259.db2.gz	PUHIVWLVZYFAMN-UVTDQMKNSA-N	-1	0	314.341	2.977	20	50		DFGDRM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000830137732	604225083	/nfs/dbraw/zinc/22/50/83/604225083.db2.gz	GLBRJQIYMKSRSG-QWRGUYRKSA-N	-1	0	322.317	2.553	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2ccc(CNC(=O)[O-])cc2)c1	ZINC000830333225	604413778	/nfs/dbraw/zinc/41/37/78/604413778.db2.gz	QKXKUWBIYIRELR-UHFFFAOYSA-N	-1	0	317.320	2.659	20	50		DFGDRM
CC(C)(CC(=O)NNc1c(Cl)cccc1Cl)NC(=O)[O-]	ZINC000823881985	604433136	/nfs/dbraw/zinc/43/31/36/604433136.db2.gz	NDEBFOBIFRGKJG-UHFFFAOYSA-N	-1	0	320.176	2.873	20	50		DFGDRM
CC(=NNC(=O)c1ccc(C#N)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814823577	604638045	/nfs/dbraw/zinc/63/80/45/604638045.db2.gz	MDCIRTCQTFFFAA-LBPRGKRZSA-N	-1	0	315.373	2.945	20	50		DFGDRM
CC(C)(C)SCCCC(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833446478	604802418	/nfs/dbraw/zinc/80/24/18/604802418.db2.gz	DFNIIPYSMFUXMX-UHFFFAOYSA-N	-1	0	311.407	2.535	20	50		DFGDRM
O=C([O-])NCCCC(=O)NNc1c(Cl)cc(F)cc1Cl	ZINC000834231803	605426704	/nfs/dbraw/zinc/42/67/04/605426704.db2.gz	KEXLVOVRTYBTGC-UHFFFAOYSA-N	-1	0	324.139	2.623	20	50		DFGDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccccc1C	ZINC000824759831	605460768	/nfs/dbraw/zinc/46/07/68/605460768.db2.gz	QCFNJVPPFVOXKK-ZDUSSCGKSA-N	-1	0	303.362	2.633	20	50		DFGDRM
O=C([O-])Nc1cccc(C(=O)NNc2cc(Cl)ccn2)c1	ZINC000834263943	605478424	/nfs/dbraw/zinc/47/84/24/605478424.db2.gz	GFTXWUPXROUBOY-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
Cc1nc(C(C)(C)c2ccccc2)sc1C(=O)NNC(=O)[O-]	ZINC000833912750	605625724	/nfs/dbraw/zinc/62/57/24/605625724.db2.gz	OIEMBUYLLKCGRU-UHFFFAOYSA-N	-1	0	319.386	2.690	20	50		DFGDRM
O=C([O-])NCc1cccc(NC(=O)NNc2ccccc2)c1	ZINC000834247036	605657421	/nfs/dbraw/zinc/65/74/21/605657421.db2.gz	MTMYQOWWDLWVLI-UHFFFAOYSA-N	-1	0	300.318	2.603	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(OCc2ccc(F)cc2)c1	ZINC000834251004	605677050	/nfs/dbraw/zinc/67/70/50/605677050.db2.gz	QHGSASILRPGLTR-UHFFFAOYSA-N	-1	0	319.292	2.709	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(OCC2CCCCC2)cc1	ZINC000834251613	605677824	/nfs/dbraw/zinc/67/78/24/605677824.db2.gz	ZTCPRSACHSXGBD-UHFFFAOYSA-N	-1	0	307.350	2.950	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NNc1cccc2cnccc21	ZINC000833455817	605717673	/nfs/dbraw/zinc/71/76/73/605717673.db2.gz	XGEFVTQHHKKFII-UHFFFAOYSA-N	-1	0	301.346	2.569	20	50		DFGDRM
C[C@@H]1C[C@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC(C)(C)C1	ZINC000833588561	605720247	/nfs/dbraw/zinc/72/02/47/605720247.db2.gz	GCLGKULXISNPKO-PWSUYJOCSA-N	-1	0	305.378	2.685	20	50		DFGDRM
O=C([O-])NC1CCC(C(=O)NNc2ccccc2Cl)CC1	ZINC000834168445	605724797	/nfs/dbraw/zinc/72/47/97/605724797.db2.gz	GYCVXVZAQACONX-UHFFFAOYSA-N	-1	0	311.769	2.610	20	50		DFGDRM
C[C@@H]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]1C	ZINC000833609142	605740075	/nfs/dbraw/zinc/74/00/75/605740075.db2.gz	QSMZGQPCFXSIPU-JTNHKYCSSA-N	-1	0	305.378	2.836	20	50		DFGDRM
O=C([O-])NC1(C(=O)NNc2ccc(Cl)c(F)c2)CCCC1	ZINC000834151457	605742575	/nfs/dbraw/zinc/74/25/75/605742575.db2.gz	MOHINDFPEBSVRH-UHFFFAOYSA-N	-1	0	315.732	2.503	20	50		DFGDRM
CC(C)CC1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CC1	ZINC000833479167	605745571	/nfs/dbraw/zinc/74/55/71/605745571.db2.gz	CVMCBSBBNRSSIT-UHFFFAOYSA-N	-1	0	305.378	2.837	20	50		DFGDRM
CCC[C@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)[O-]	ZINC000833647301	605776588	/nfs/dbraw/zinc/77/65/88/605776588.db2.gz	AXVDKMBDMLITOI-UFBFGSQYSA-N	-1	0	308.216	2.556	20	50		DFGDRM
O=C([O-])NCCCC(=O)NN=C1CC(c2ccc(Cl)cc2)C1	ZINC000834229432	606080882	/nfs/dbraw/zinc/08/08/82/606080882.db2.gz	IDNSVVZVVRGQQY-UHFFFAOYSA-N	-1	0	323.780	2.737	20	50		DFGDRM
Cc1nc(C(C)(C)C)sc1C(=O)[N-]NC(=O)OC(C)(C)C	ZINC000061341899	399154866	/nfs/dbraw/zinc/15/48/66/399154866.db2.gz	XWRGTPGMPIXHJN-UHFFFAOYSA-N	-1	0	313.423	2.919	20	50		DFGDRM
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490563251	269942092	/nfs/dbraw/zinc/94/20/92/269942092.db2.gz	KRGGVQONHPCKCB-XFXZXTDPSA-N	-1	0	308.293	2.636	20	50		DFGDRM
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OCC(=O)[O-]	ZINC000265195585	266352723	/nfs/dbraw/zinc/35/27/23/266352723.db2.gz	IHXLCPHWWGAGKK-ZTFCMROMSA-N	-1	0	317.341	2.681	20	50		DFGDRM
CC(=O)c1ccc([O-])c(NC(=O)C(C#N)=Cc2ccc(O)cc2)c1	ZINC000491163883	266846481	/nfs/dbraw/zinc/84/64/81/266846481.db2.gz	YRIFCOWDMWRLDX-RIYZIHGNSA-N	-1	0	322.320	2.846	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)Cc2ccc(Cl)cc2)CC1	ZINC000814757172	598096063	/nfs/dbraw/zinc/09/60/63/598096063.db2.gz	QIVNVNLFYPCBEE-UHFFFAOYSA-N	-1	0	308.765	2.630	20	50		DFGDRM
Cn1cc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)c2ccccc21	ZINC000814776802	598201464	/nfs/dbraw/zinc/20/14/64/598201464.db2.gz	CYXYEKUDLJJLFX-UHFFFAOYSA-N	-1	0	321.336	2.640	20	50		DFGDRM
N#C/C(=C/c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-]	ZINC000728569673	599890913	/nfs/dbraw/zinc/89/09/13/599890913.db2.gz	YGNMWRJTCCHBKR-OQFOIZHKSA-N	-1	0	300.295	2.530	20	50		DFGDRM
O=C([O-])C1CCC(NC(=O)NNc2ccccc2Cl)CC1	ZINC000739455243	600027130	/nfs/dbraw/zinc/02/71/30/600027130.db2.gz	XVRJPQXPPKWYCJ-UHFFFAOYSA-N	-1	0	311.769	2.610	20	50		DFGDRM
CCCc1c(C(=O)NNc2ccccc2)[nH]c(C)c1C(=O)[O-]	ZINC000737043715	600359407	/nfs/dbraw/zinc/35/94/07/600359407.db2.gz	MDADMVKTZNEQKB-UHFFFAOYSA-N	-1	0	301.346	2.731	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)Cc2cccs2)ccc1[N+](=O)[O-]	ZINC000739350011	600453121	/nfs/dbraw/zinc/45/31/21/600453121.db2.gz	RHNKQLBCUGUCKL-UHFFFAOYSA-N	-1	0	307.283	2.503	20	50		DFGDRM
C[C@H]1CC[C@H](CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1	ZINC000828226649	600973255	/nfs/dbraw/zinc/97/32/55/600973255.db2.gz	WFIFNVRLJKYGRG-VHSXEESVSA-N	-1	0	323.301	2.546	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)s1	ZINC000833311414	601123165	/nfs/dbraw/zinc/12/31/65/601123165.db2.gz	LVYWNVUVTFQDCM-UHFFFAOYSA-N	-1	0	316.260	2.621	20	50		DFGDRM
N#C/C=C(\c1ccc(F)cc1)N1CCC2(C[C@@H]2C(=O)[O-])CC1	ZINC000833062598	601144848	/nfs/dbraw/zinc/14/48/48/601144848.db2.gz	NZQKFTJWZKQMDW-YWKRCKIVSA-N	-1	0	300.333	2.877	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccccc1Cl	ZINC000833063910	601444906	/nfs/dbraw/zinc/44/49/06/601444906.db2.gz	NKMOBQUVRJPZCF-VQHVLOKHSA-N	-1	0	315.716	2.912	20	50		DFGDRM
O=C([O-])CCCCNC(=O)NNc1cc(Cl)ccc1Cl	ZINC000821518803	601770500	/nfs/dbraw/zinc/77/05/00/601770500.db2.gz	MMSLRPGSYSVSEL-UHFFFAOYSA-N	-1	0	320.176	2.874	20	50		DFGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	ZINC000833064756	601789570	/nfs/dbraw/zinc/78/95/70/601789570.db2.gz	VTYABEXNJBDNEZ-VZUCSPMQSA-N	-1	0	305.293	2.984	20	50		DFGDRM
O=C([O-])NNC(=O)NCC1(Sc2ccccc2)CCCC1	ZINC000740683988	602757391	/nfs/dbraw/zinc/75/73/91/602757391.db2.gz	RAVJQABZBXUCLO-UHFFFAOYSA-N	-1	0	309.391	2.573	20	50		DFGDRM
O=C([O-])N1CCC(=NNC(=O)c2cccc3ccccc32)CC1	ZINC000739453021	603148106	/nfs/dbraw/zinc/14/81/06/603148106.db2.gz	AFNCDENNKWUJOB-UHFFFAOYSA-N	-1	0	311.341	2.699	20	50		DFGDRM
Cc1ccnc(NNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1	ZINC000830611188	603481288	/nfs/dbraw/zinc/48/12/88/603481288.db2.gz	GNYFYPQWSUNQAI-UHFFFAOYSA-N	-1	0	300.318	2.545	20	50		DFGDRM
CN(N=Cc1cccc2c1N(C(=O)[O-])CC2)C(=O)OC(C)(C)C	ZINC000828434664	603820623	/nfs/dbraw/zinc/82/06/23/603820623.db2.gz	ILJCFDBKZCJMCY-UHFFFAOYSA-N	-1	0	319.361	2.928	20	50		DFGDRM
N#Cc1ccccc1Sc1ccc(C(=O)NNC(=O)[O-])cc1	ZINC000831156615	603821335	/nfs/dbraw/zinc/82/13/35/603821335.db2.gz	FCTYIYUESNVOAT-UHFFFAOYSA-N	-1	0	313.338	2.622	20	50		DFGDRM
Cc1ccccc1NNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-]	ZINC000830587001	603827402	/nfs/dbraw/zinc/82/74/02/603827402.db2.gz	QTDZRANENKDLFN-AGUYFDCRSA-N	-1	0	317.389	2.749	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)C[C@H]2CCCN2C(=O)[O-])c(C)c1	ZINC000829996762	603998519	/nfs/dbraw/zinc/99/85/19/603998519.db2.gz	FKAWWEYWVHJVKK-CYBMUJFWSA-N	-1	0	305.378	2.587	20	50		DFGDRM
CC(C)(CCC(=O)NNc1ccc(Cl)c(F)c1)NC(=O)[O-]	ZINC000823889933	604004564	/nfs/dbraw/zinc/00/45/64/604004564.db2.gz	HNZFNSQYNFUQHO-UHFFFAOYSA-N	-1	0	317.748	2.749	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824678586	604577995	/nfs/dbraw/zinc/57/79/95/604577995.db2.gz	CJYGIYNDACOUTA-QWHCGFSZSA-N	-1	0	305.378	2.546	20	50		DFGDRM
Cc1c(NC(=O)NNc2ccc(F)cc2)cccc1C(=O)[O-]	ZINC000833742704	604723612	/nfs/dbraw/zinc/72/36/12/604723612.db2.gz	XHVIJJGRRQAVPH-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
CC(C)(C)c1ccccc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833449651	604802274	/nfs/dbraw/zinc/80/22/74/604802274.db2.gz	PMYDBKJRLPMPSC-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
CCCCNC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000826835933	604826652	/nfs/dbraw/zinc/82/66/52/604826652.db2.gz	DRAZHSBHSUELQX-UHFFFAOYSA-N	-1	0	318.377	2.550	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1cccc(Cl)c1)c1ccccc1	ZINC000831451219	605252036	/nfs/dbraw/zinc/25/20/36/605252036.db2.gz	RPWLVOZCVQUJQQ-UHFFFAOYSA-N	-1	0	319.748	2.968	20	50		DFGDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccncc1	ZINC000824758750	605474596	/nfs/dbraw/zinc/47/45/96/605474596.db2.gz	AWIKRHJRGSSNMH-CQSZACIVSA-N	-1	0	318.377	2.500	20	50		DFGDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000833812817	605561949	/nfs/dbraw/zinc/56/19/49/605561949.db2.gz	LVARWCLKUTXOFB-RUGXBRKDSA-N	-1	0	303.337	2.668	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000834250662	605682747	/nfs/dbraw/zinc/68/27/47/605682747.db2.gz	MAALNMONJIQKNL-JTQLQIEISA-N	-1	0	317.267	2.638	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2cccc(F)c2)cc1	ZINC000834256526	605719595	/nfs/dbraw/zinc/71/95/95/605719595.db2.gz	RRBCUOLJNGECPU-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)C1CCCC1	ZINC000834044845	605722359	/nfs/dbraw/zinc/72/23/59/605722359.db2.gz	JRSKVXCTYZTYOM-GXTWGEPZSA-N	-1	0	307.394	2.591	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1ccccc1Cl)c1ccccc1	ZINC000834003122	605724792	/nfs/dbraw/zinc/72/47/92/605724792.db2.gz	CSMFTCUYENCSRA-UHFFFAOYSA-N	-1	0	319.748	2.968	20	50		DFGDRM
CC(C)(C)c1ncc(C(=O)NNc2cccc(C(=O)[O-])c2)s1	ZINC000833450640	605732441	/nfs/dbraw/zinc/73/24/41/605732441.db2.gz	GXLRDJSOPSTREO-UHFFFAOYSA-N	-1	0	319.386	2.896	20	50		DFGDRM
CCc1ccc(CNC(=O)NNc2cccc(C(=O)[O-])c2)s1	ZINC000833669881	605742158	/nfs/dbraw/zinc/74/21/58/605742158.db2.gz	HQBQUGIEVNOIMX-UHFFFAOYSA-N	-1	0	319.386	2.835	20	50		DFGDRM
O=C([O-])NCCC(=O)NN=C1CC=C(c2ccc(F)cc2)CC1	ZINC000834227949	605747860	/nfs/dbraw/zinc/74/78/60/605747860.db2.gz	URSBFMYTHLMVPB-UHFFFAOYSA-N	-1	0	319.336	2.523	20	50		DFGDRM
CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)c1c(C)noc1C	ZINC000833636406	605774893	/nfs/dbraw/zinc/77/48/93/605774893.db2.gz	QMWYRHLCFIWPPB-ZDUSSCGKSA-N	-1	0	317.345	2.627	20	50		DFGDRM
O=C([O-])Nc1ncccc1C=NNC(=O)c1cc2ccccc2o1	ZINC000834280870	605955858	/nfs/dbraw/zinc/95/58/58/605955858.db2.gz	VXDGVJVLOLNMOT-UHFFFAOYSA-N	-1	0	324.296	2.682	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@H]2C(=O)NNc2ccc(Cl)cc2)CC1	ZINC000834047575	605963146	/nfs/dbraw/zinc/96/31/46/605963146.db2.gz	LAEIEJAQOBUKDD-LBPRGKRZSA-N	-1	0	323.780	2.563	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cccc(F)c1	ZINC000834271951	606073430	/nfs/dbraw/zinc/07/34/30/606073430.db2.gz	GJFNOPXJDANYSM-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)c1ccccc1F	ZINC000834182760	606079239	/nfs/dbraw/zinc/07/92/39/606079239.db2.gz	JGOBOXLESKBWHF-GFCCVEGCSA-N	-1	0	307.325	2.512	20	50		DFGDRM
CCOC(=O)N[N-]C(=O)c1sc(-c2cccs2)nc1C	ZINC000021772127	398414269	/nfs/dbraw/zinc/41/42/69/398414269.db2.gz	OMPJXPWDICODBJ-UHFFFAOYSA-N	-1	0	311.388	2.571	20	50		DFGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)NCCc1ccccc1	ZINC000033310778	264015794	/nfs/dbraw/zinc/01/57/94/264015794.db2.gz	WJGOAZWOFBPQDG-ATVHPVEESA-N	-1	0	320.348	2.651	20	50		DFGDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C(/C#N)C(=O)NCC(C)C	ZINC000490696088	270002401	/nfs/dbraw/zinc/00/24/01/270002401.db2.gz	NWLBNQDVMMHHIP-NSIKDUERSA-N	-1	0	300.358	2.681	20	50		DFGDRM
N#C/C(=C/c1ccc(O)c(C(=O)[O-])c1)C(=O)Nc1ccccc1	ZINC000490908381	268140731	/nfs/dbraw/zinc/14/07/31/268140731.db2.gz	KEMANKGVCYJFQO-WQLSENKSSA-N	-1	0	308.293	2.636	20	50		DFGDRM
N#C/C(=C/c1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000490783899	268143777	/nfs/dbraw/zinc/14/37/77/268143777.db2.gz	VKZOUUPFIMWOQG-DHDCSXOGSA-N	-1	0	317.304	2.802	20	50		DFGDRM
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819091172	597079114	/nfs/dbraw/zinc/07/91/14/597079114.db2.gz	QVVGJNOGSHPKMW-QNKXHIPISA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])CCCCNC(=O)NNc1ccc(Cl)cc1Cl	ZINC000821518767	598170242	/nfs/dbraw/zinc/17/02/42/598170242.db2.gz	HEYFTWVBMPPKDU-UHFFFAOYSA-N	-1	0	320.176	2.874	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)Cc2ccsc2)ccc1[N+](=O)[O-]	ZINC000739350559	600458084	/nfs/dbraw/zinc/45/80/84/600458084.db2.gz	YADJIWRNCPDNHT-UHFFFAOYSA-N	-1	0	307.283	2.503	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)CCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000833096296	600974340	/nfs/dbraw/zinc/97/43/40/600974340.db2.gz	DVTYFEIRFJYYBM-UHFFFAOYSA-N	-1	0	307.180	2.541	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1	ZINC000833280639	601100248	/nfs/dbraw/zinc/10/02/48/601100248.db2.gz	NZQGNJVWCILAQY-UHFFFAOYSA-N	-1	0	322.708	2.831	20	50		DFGDRM
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833064032	601141727	/nfs/dbraw/zinc/14/17/27/601141727.db2.gz	PBGWLXFSWFCDGJ-NVNXTCNLSA-N	-1	0	323.304	2.741	20	50		DFGDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)C1	ZINC000833183908	601212564	/nfs/dbraw/zinc/21/25/64/601212564.db2.gz	LYCVDSMJBVHRQD-RKDXNWHRSA-N	-1	0	314.744	2.813	20	50		DFGDRM
O=C([O-])CN(C(=O)CCCC[C@H]1CCSS1)C1CC1	ZINC000833244488	601672363	/nfs/dbraw/zinc/67/23/63/601672363.db2.gz	UQPHIMHJHYPKKH-NSHDSACASA-N	-1	0	303.449	2.776	20	50		DFGDRM
O=C([O-])c1cc(C=NNC(=O)c2ccc3ccccc3c2)c[nH]1	ZINC000814810567	601797105	/nfs/dbraw/zinc/79/71/05/601797105.db2.gz	QLHXEANHSULZMH-UHFFFAOYSA-N	-1	0	307.309	2.630	20	50		DFGDRM
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NNC(=O)[O-]	ZINC000832891199	602230875	/nfs/dbraw/zinc/23/08/75/602230875.db2.gz	OEUVESZQMDLURH-LLVKDONJSA-N	-1	0	306.366	2.678	20	50		DFGDRM
O=C([O-])N[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	ZINC000740692379	602372573	/nfs/dbraw/zinc/37/25/73/602372573.db2.gz	JUKCAPVNBNBIBL-ZDUSSCGKSA-N	-1	0	319.748	2.792	20	50		DFGDRM
CN(N=Cc1nc(-c2cccc(Br)c2)c[nH]1)C(=O)[O-]	ZINC000739720977	602457153	/nfs/dbraw/zinc/45/71/53/602457153.db2.gz	PKXVOPHZUIJCDW-UHFFFAOYSA-N	-1	0	323.150	2.783	20	50		DFGDRM
CN(C[C@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000828234832	604214357	/nfs/dbraw/zinc/21/43/57/604214357.db2.gz	AGCBQZKOSPTCTK-FVTUNSQFSA-N	-1	0	303.337	2.622	20	50		DFGDRM
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CC[C@@H]1NC(=O)[O-]	ZINC000825955307	604217433	/nfs/dbraw/zinc/21/74/33/604217433.db2.gz	HBCPVTACXRSPSA-VTGBWBPSSA-N	-1	0	303.337	2.668	20	50		DFGDRM
C[C@@H](CC(=O)NN(C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824671013	604578052	/nfs/dbraw/zinc/57/80/52/604578052.db2.gz	DEIZYWLRUXUCEL-UONOGXRCSA-N	-1	0	319.405	2.570	20	50		DFGDRM
CC(=NNC(=O)NCC(F)(F)F)[C@@H](C)CCCCC(=O)[O-]	ZINC000814812159	604637685	/nfs/dbraw/zinc/63/76/85/604637685.db2.gz	JTZPAGHRGIBRMD-QMMMGPOBSA-N	-1	0	311.304	2.505	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)Cc2cccc(C(=O)[O-])c2)c1	ZINC000833749842	604795498	/nfs/dbraw/zinc/79/54/98/604795498.db2.gz	XIRBNLFKSGJKTP-UHFFFAOYSA-N	-1	0	302.305	2.518	20	50		DFGDRM
CC(C)(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)C1CCCCC1	ZINC000833412144	605216692	/nfs/dbraw/zinc/21/66/92/605216692.db2.gz	ZAIOIAPEEZVMLH-UHFFFAOYSA-N	-1	0	305.378	2.829	20	50		DFGDRM
CC(C)n1nccc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833514422	605247369	/nfs/dbraw/zinc/24/73/69/605247369.db2.gz	VRSQLSZLCSIXHL-UHFFFAOYSA-N	-1	0	322.752	2.573	20	50		DFGDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccoc1	ZINC000824759249	605473878	/nfs/dbraw/zinc/47/38/78/605473878.db2.gz	JXIFWDOIICLAKR-CYBMUJFWSA-N	-1	0	307.350	2.698	20	50		DFGDRM
C[C@H](NC(=O)[O-])[C@@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000833812816	605561492	/nfs/dbraw/zinc/56/14/92/605561492.db2.gz	LVARWCLKUTXOFB-KCLHPLILSA-N	-1	0	303.337	2.668	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1	ZINC000834250153	605677097	/nfs/dbraw/zinc/67/70/97/605677097.db2.gz	CMTRFOLONQRSGU-UHFFFAOYSA-N	-1	0	305.265	2.922	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccccc1COc1ccccc1	ZINC000834251534	605677958	/nfs/dbraw/zinc/67/79/58/605677958.db2.gz	XAVRFQAELJGLQC-UHFFFAOYSA-N	-1	0	301.302	2.570	20	50		DFGDRM
O=C([O-])N[C@H](C(=O)NNc1ccccc1)c1cccc(Cl)c1	ZINC000834123503	605714735	/nfs/dbraw/zinc/71/47/35/605714735.db2.gz	YIDOXOKRABMOOF-ZDUSSCGKSA-N	-1	0	319.748	2.792	20	50		DFGDRM
O=C([O-])NCC1(C(=O)NNc2ccccc2Cl)CCCC1	ZINC000834205831	605724807	/nfs/dbraw/zinc/72/48/07/605724807.db2.gz	DIHYUKYWYVGZMC-UHFFFAOYSA-N	-1	0	311.769	2.611	20	50		DFGDRM
CC(C)C[C@H](C)OCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833476085	605737036	/nfs/dbraw/zinc/73/70/36/605737036.db2.gz	XYXREEZLNIVEMF-LBPRGKRZSA-N	-1	0	308.378	2.669	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccc(Cl)cc2)c(O)c1	ZINC000834257456	605764367	/nfs/dbraw/zinc/76/43/67/605764367.db2.gz	MSCBBNJMQKZPRJ-UHFFFAOYSA-N	-1	0	321.720	2.892	20	50		DFGDRM
CCC[C@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)[O-]	ZINC000833647298	605776846	/nfs/dbraw/zinc/77/68/46/605776846.db2.gz	AXVDKMBDMLITOI-PELKAZGASA-N	-1	0	308.216	2.556	20	50		DFGDRM
CC(C)N(CCC(=O)[O-])C(=O)[C@@H](Br)C(C)(C)C	ZINC000833496374	605778649	/nfs/dbraw/zinc/77/86/49/605778649.db2.gz	BFIKIYWCXDWBSQ-SNVBAGLBSA-N	-1	0	308.216	2.508	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)o1	ZINC000084284792	398397213	/nfs/dbraw/zinc/39/72/13/398397213.db2.gz	MUSMCXICPDMGIF-UWVGGRQHSA-N	-1	0	318.295	2.718	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)C[C@@H](C)c2ccc(F)cc2)o1	ZINC000084284359	398397492	/nfs/dbraw/zinc/39/74/92/398397492.db2.gz	ZHUPCMJDWPVHIJ-SNVBAGLBSA-N	-1	0	304.321	2.682	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)o1	ZINC000084380374	398398157	/nfs/dbraw/zinc/39/81/57/398398157.db2.gz	RBLVBZCKLQTHFI-NXEZZACHSA-N	-1	0	318.295	2.718	20	50		DFGDRM
Cc1ccoc1C(=O)[N-]NC(=O)c1cc2c(s1)CC[C@H](C)C2	ZINC000024310108	398430054	/nfs/dbraw/zinc/43/00/54/398430054.db2.gz	KUHMAEHTTKNVSL-VIFPVBQESA-N	-1	0	318.398	2.849	20	50		DFGDRM
CCCc1nc(C)c(C(=O)[N-]NC(=O)c2ccccc2C)s1	ZINC000043004940	398609515	/nfs/dbraw/zinc/60/95/15/398609515.db2.gz	ZKKFPXMPWFRTGR-UHFFFAOYSA-N	-1	0	317.414	2.787	20	50		DFGDRM
CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000490662367	270002426	/nfs/dbraw/zinc/00/24/26/270002426.db2.gz	BCAPBJYCTNJVEG-RIYZIHGNSA-N	-1	0	324.340	2.537	20	50		DFGDRM
C[C@H]1SCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1C	ZINC000185688635	267249072	/nfs/dbraw/zinc/24/90/72/267249072.db2.gz	BUPINWZJEBYRPA-QNWYCTJYSA-N	-1	0	302.399	2.652	20	50		DFGDRM
N#C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C(=O)NC1CCCCC1	ZINC000490609967	268142898	/nfs/dbraw/zinc/14/28/98/268142898.db2.gz	CVSZXBUBAJHOCV-WQLSENKSSA-N	-1	0	315.329	2.656	20	50		DFGDRM
CN(CCCC(=O)NNc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000737427770	599729321	/nfs/dbraw/zinc/72/93/21/599729321.db2.gz	YFSYKDQEMHOYPT-UHFFFAOYSA-N	-1	0	319.283	2.539	20	50		DFGDRM
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819091212	597086742	/nfs/dbraw/zinc/08/67/42/597086742.db2.gz	UBPUMXPYNSEAKZ-CJTQKWKHSA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])Cc1cccc(NC(=O)NNc2ccccc2F)c1	ZINC000821537836	598147482	/nfs/dbraw/zinc/14/74/82/598147482.db2.gz	KRSUZGKDSJCKAJ-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000274324101	598200783	/nfs/dbraw/zinc/20/07/83/598200783.db2.gz	YFAKSQWMLHZFRM-GXDHUFHOSA-N	-1	0	308.341	2.767	20	50		DFGDRM
CC[C@H](C(=O)NN=Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1	ZINC000736845322	600181133	/nfs/dbraw/zinc/18/11/33/600181133.db2.gz	AKEDGWHAPSGCRY-AWEZNQCLSA-N	-1	0	314.341	2.930	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1ccccc1F)c1cccc(Cl)c1	ZINC000739453114	600418726	/nfs/dbraw/zinc/41/87/26/600418726.db2.gz	DDANMHCNKIOUND-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
CN(C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])o1)C1CCCCC1	ZINC000737311265	600472778	/nfs/dbraw/zinc/47/27/78/600472778.db2.gz	MNNXOKIVAKZHMO-PKNBQFBNSA-N	-1	0	302.330	2.676	20	50		DFGDRM
CCc1[nH]c(C(=O)NNc2cccc(F)c2F)c(C)c1C(=O)[O-]	ZINC000830196474	600781601	/nfs/dbraw/zinc/78/16/01/600781601.db2.gz	KWTCFXKISQSMFB-UHFFFAOYSA-N	-1	0	323.299	2.619	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC000833301429	601156860	/nfs/dbraw/zinc/15/68/60/601156860.db2.gz	YWPFZFPBTURPCN-IWIIMEHWSA-N	-1	0	305.286	2.635	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)c1	ZINC000832874930	601212674	/nfs/dbraw/zinc/21/26/74/601212674.db2.gz	QBKXKVSZWNPDOC-KBPBESRZSA-N	-1	0	304.390	2.946	20	50		DFGDRM
Cc1ccc(NC(=O)NN=Cc2c[nH]c(C(=O)[O-])c2)c(Cl)c1	ZINC000814856127	601797463	/nfs/dbraw/zinc/79/74/63/601797463.db2.gz	CGFWRYQBACUYGF-UHFFFAOYSA-N	-1	0	320.736	2.830	20	50		DFGDRM
O=C([O-])NCCCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	ZINC000833280060	601818435	/nfs/dbraw/zinc/81/84/35/601818435.db2.gz	FVOZNFLUOJEYBO-UHFFFAOYSA-N	-1	0	318.285	2.701	20	50		DFGDRM
CCCCn1ccnc1-c1cccc(NC(=O)NNC(=O)[O-])c1	ZINC000829446892	602110018	/nfs/dbraw/zinc/11/00/18/602110018.db2.gz	HLFGUCUOUSBIPZ-UHFFFAOYSA-N	-1	0	317.349	2.654	20	50		DFGDRM
O=C([O-])N[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	ZINC000740687485	602372464	/nfs/dbraw/zinc/37/24/64/602372464.db2.gz	JUKCAPVNBNBIBL-CYBMUJFWSA-N	-1	0	319.748	2.792	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2c(F)cccc2F)cc1	ZINC000740702685	603067139	/nfs/dbraw/zinc/06/71/39/603067139.db2.gz	FMOLVBSEGVYFLI-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
CCC[C@](C)(NC(=O)[O-])C(=O)NN=c1[nH]ccc2sccc21	ZINC000739293605	603354168	/nfs/dbraw/zinc/35/41/68/603354168.db2.gz	ZJWPEALEJUIGHG-AWEZNQCLSA-N	-1	0	322.390	2.566	20	50		DFGDRM
CN(CCCC(=O)NNc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000828285413	603840183	/nfs/dbraw/zinc/84/01/83/603840183.db2.gz	NZSAZKKHNBSLAU-UHFFFAOYSA-N	-1	0	320.176	2.827	20	50		DFGDRM
CN(C[C@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000828234829	604214579	/nfs/dbraw/zinc/21/45/79/604214579.db2.gz	AGCBQZKOSPTCTK-BYQGBLLGSA-N	-1	0	303.337	2.622	20	50		DFGDRM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000830137731	604224865	/nfs/dbraw/zinc/22/48/65/604224865.db2.gz	GLBRJQIYMKSRSG-MNOVXSKESA-N	-1	0	322.317	2.553	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000830586465	604578719	/nfs/dbraw/zinc/57/87/19/604578719.db2.gz	NHASRNJVZCKRGH-ZIAGYGMSSA-N	-1	0	319.405	2.854	20	50		DFGDRM
CC(=NNC(=O)c1cccc(C#N)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814835928	604638868	/nfs/dbraw/zinc/63/88/68/604638868.db2.gz	DREBLFZIYXCPAL-GFCCVEGCSA-N	-1	0	315.373	2.945	20	50		DFGDRM
CCc1oc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1C	ZINC000833678997	604648563	/nfs/dbraw/zinc/64/85/63/604648563.db2.gz	UFNKGPIVBHOTRF-UHFFFAOYSA-N	-1	0	318.329	2.614	20	50		DFGDRM
CC1(C)CCC[C@H](CC(=O)NN=c2ccc(C(=O)[O-])c[nH]2)C1	ZINC000833561646	604800719	/nfs/dbraw/zinc/80/07/19/604800719.db2.gz	UGJSVTDXLAPUOC-LLVKDONJSA-N	-1	0	305.378	2.829	20	50		DFGDRM
CC(C)(C)C(=O)NN=Cc1cccc2c1N(C(=O)[O-])CCC2	ZINC000823754374	604826264	/nfs/dbraw/zinc/82/62/64/604826264.db2.gz	JJIAOFSNVUJRMB-UHFFFAOYSA-N	-1	0	303.362	2.613	20	50		DFGDRM
Cc1cc(/C=C/C(=O)NNC(=O)[O-])c(C)n1C1CCCCC1	ZINC000830029454	605186092	/nfs/dbraw/zinc/18/60/92/605186092.db2.gz	GVPWAGXAROENKN-CMDGGOBGSA-N	-1	0	305.378	2.922	20	50		DFGDRM
CC(C)CCC(=O)NN[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833480418	605358411	/nfs/dbraw/zinc/35/84/11/605358411.db2.gz	JIKJOGTUYJNMCJ-CYBMUJFWSA-N	-1	0	316.760	2.662	20	50		DFGDRM
Cc1cc(C(=O)NNc2ccc(F)cc2)ccc1NC(=O)[O-]	ZINC000829962267	605417006	/nfs/dbraw/zinc/41/70/06/605417006.db2.gz	ZIILSSRATNEJFQ-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1	ZINC000834251522	605678000	/nfs/dbraw/zinc/67/80/00/605678000.db2.gz	WTBCRBWIYINDOA-UHFFFAOYSA-N	-1	0	313.741	2.966	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(COc2cccc(F)c2)c1	ZINC000834251579	605678069	/nfs/dbraw/zinc/67/80/69/605678069.db2.gz	YBGOJOPVXLJMPX-UHFFFAOYSA-N	-1	0	319.292	2.709	20	50		DFGDRM
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2Cl)C1	ZINC000834169311	605723488	/nfs/dbraw/zinc/72/34/88/605723488.db2.gz	LVMCJYGEAFGGNN-NXEZZACHSA-N	-1	0	311.769	2.610	20	50		DFGDRM
CC(=O)[C@H](C)CCCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833387635	605731591	/nfs/dbraw/zinc/73/15/91/605731591.db2.gz	JIHOOGGHTOVOMB-LLVKDONJSA-N	-1	0	306.362	2.613	20	50		DFGDRM
CC(C)C[C@@H](C)OCCC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833476083	605737169	/nfs/dbraw/zinc/73/71/69/605737169.db2.gz	XYXREEZLNIVEMF-GFCCVEGCSA-N	-1	0	308.378	2.669	20	50		DFGDRM
CC(C)[C@@H](NC(=O)[O-])C(=O)NNc1ccc(C(C)(C)C)cc1	ZINC000833469187	605739330	/nfs/dbraw/zinc/73/93/30/605739330.db2.gz	UPDCMWCNBCPCAR-CYBMUJFWSA-N	-1	0	307.394	2.719	20	50		DFGDRM
C[C@@H]1CCC[C@@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833608056	605741131	/nfs/dbraw/zinc/74/11/31/605741131.db2.gz	LOLOQQRZQSOGCR-VXGBXAGGSA-N	-1	0	305.378	2.837	20	50		DFGDRM
O=C([O-])NCCCC(=O)NN=C1CC(c2cccc(Cl)c2)C1	ZINC000834229937	605800309	/nfs/dbraw/zinc/80/03/09/605800309.db2.gz	QCCBUQKXFXFUKF-UHFFFAOYSA-N	-1	0	323.780	2.737	20	50		DFGDRM
O=C([O-])N1CCC2(C[C@@H]2C(=O)NNc2cccc(Cl)c2)CC1	ZINC000834048945	605823823	/nfs/dbraw/zinc/82/38/23/605823823.db2.gz	VYZDHEKUHBRLAL-GFCCVEGCSA-N	-1	0	323.780	2.563	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ncccc1Cl	ZINC000834274638	606098015	/nfs/dbraw/zinc/09/80/15/606098015.db2.gz	ORAISZIIVRZQIB-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
CC(C)CC(=O)N[N-]C(=O)c1csc(-c2ccccc2)n1	ZINC000010160813	398376987	/nfs/dbraw/zinc/37/69/87/398376987.db2.gz	XZPHOMAUDAMKLX-UHFFFAOYSA-N	-1	0	303.387	2.617	20	50		DFGDRM
CC(C)(C)CC(=O)N[N-]C(=O)c1ccc(Br)s1	ZINC000024306892	398430143	/nfs/dbraw/zinc/43/01/43/398430143.db2.gz	OYBLOTHAMSYSSP-UHFFFAOYSA-N	-1	0	319.224	2.708	20	50		DFGDRM
N#C/C(=C/c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccncc1	ZINC000091540105	398534942	/nfs/dbraw/zinc/53/49/42/398534942.db2.gz	DGSGCUYFCPEBDO-YHYXMXQVSA-N	-1	0	301.252	2.611	20	50		DFGDRM
Cc1ccccc1NC(=O)N[N-]C(=O)c1cc(C(C)C)no1	ZINC000073158044	398665909	/nfs/dbraw/zinc/66/59/09/398665909.db2.gz	FZOWMPZGOPBZDO-UHFFFAOYSA-N	-1	0	302.334	2.573	20	50		DFGDRM
Cc1cc(C(=O)N[N-]C(=O)c2csc(CC(C)C)n2)c(C)o1	ZINC000063568968	399195874	/nfs/dbraw/zinc/19/58/74/399195874.db2.gz	BINKLYHRRQWOLN-UHFFFAOYSA-N	-1	0	321.402	2.626	20	50		DFGDRM
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000013345006	264018040	/nfs/dbraw/zinc/01/80/40/264018040.db2.gz	KRGGVQONHPCKCB-FMIVXFBMSA-N	-1	0	308.293	2.636	20	50		DFGDRM
CCCN([N-]C(=O)c1ccc(C#N)c(C)n1)C(=O)OC(C)(C)C	ZINC000286415757	266052618	/nfs/dbraw/zinc/05/26/18/266052618.db2.gz	GXOJRVYJLWAHNG-UHFFFAOYSA-N	-1	0	318.377	2.554	20	50		DFGDRM
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cn1	ZINC000490879730	268022975	/nfs/dbraw/zinc/02/29/75/268022975.db2.gz	SCLDCGQGZWEFFU-RIYZIHGNSA-N	-1	0	307.309	2.634	20	50		DFGDRM
CC(C)CC(=O)NN[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000826754381	601970652	/nfs/dbraw/zinc/97/06/52/601970652.db2.gz	MFXWHJIOGHTAOX-LBPRGKRZSA-N	-1	0	319.188	2.786	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)c2ccc3ccccc3n2)CC1	ZINC000814682492	598095137	/nfs/dbraw/zinc/09/51/37/598095137.db2.gz	MGRXPIHQEZLXHR-UHFFFAOYSA-N	-1	0	311.341	2.595	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1	ZINC000740002647	600011627	/nfs/dbraw/zinc/01/16/27/600011627.db2.gz	ZEMDGSILTYRCGZ-UHFFFAOYSA-N	-1	0	307.256	2.936	20	50		DFGDRM
CC(C)(C)SCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736287282	600456067	/nfs/dbraw/zinc/45/60/67/600456067.db2.gz	LXTOLGHLESCUPR-UHFFFAOYSA-N	-1	0	313.331	2.730	20	50		DFGDRM
CSCCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000738189892	600527530	/nfs/dbraw/zinc/52/75/30/600527530.db2.gz	CJAYVYIDGUACQW-UHFFFAOYSA-N	-1	0	313.331	2.732	20	50		DFGDRM
O=C([O-])c1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	ZINC000821549469	601122716	/nfs/dbraw/zinc/12/27/16/601122716.db2.gz	GPIXQIUVFXJMFP-UHFFFAOYSA-N	-1	0	310.231	2.559	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)no1	ZINC000833062178	601331130	/nfs/dbraw/zinc/33/11/30/601331130.db2.gz	AFELHUBQDHDNNF-DHZHZOJOSA-N	-1	0	306.281	2.827	20	50		DFGDRM
C[C@@H]1CC/C(=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000828206758	601505458	/nfs/dbraw/zinc/50/54/58/601505458.db2.gz	CFRMHPPYTZJUAJ-YIXGCBLDSA-N	-1	0	305.286	2.945	20	50		DFGDRM
O=C([O-])c1ccc(CCC(=O)NNc2cccnc2Cl)cc1	ZINC000833101901	601589564	/nfs/dbraw/zinc/58/95/64/601589564.db2.gz	GCYHARKGGAXJNM-UHFFFAOYSA-N	-1	0	319.748	2.509	20	50		DFGDRM
O=C([O-])[C@@]1(F)CCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000833097089	601654803	/nfs/dbraw/zinc/65/48/03/601654803.db2.gz	FRQPLEWCNOHIIY-GXFFZTMASA-N	-1	0	321.439	2.726	20	50		DFGDRM
Cc1[nH]c(C(=O)NNc2cc(C)ccc2F)c(C)c1C(=O)[O-]	ZINC000832935193	602050850	/nfs/dbraw/zinc/05/08/50/602050850.db2.gz	BPYHUVMDRBYETL-UHFFFAOYSA-N	-1	0	305.309	2.534	20	50		DFGDRM
CCC[C@@H](NC(=O)[O-])C(=O)NNc1ccccc1C(F)(F)F	ZINC000739321051	602371781	/nfs/dbraw/zinc/37/17/81/602371781.db2.gz	UIJSRWCXHDBBQL-SNVBAGLBSA-N	-1	0	319.283	2.585	20	50		DFGDRM
O=C([O-])Nc1ccc(CC(=O)NNc2ncccc2Cl)cc1	ZINC000740702537	603354849	/nfs/dbraw/zinc/35/48/49/603354849.db2.gz	BOWQDVLPRXYYHU-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
C[C@@H](C(=O)NNc1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1	ZINC000823701162	603445996	/nfs/dbraw/zinc/44/59/96/603445996.db2.gz	AIPSFOPIQGBYHQ-IUODEOHRSA-N	-1	0	313.357	2.775	20	50		DFGDRM
CN(N=Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C(=O)[O-]	ZINC000828434987	603820440	/nfs/dbraw/zinc/82/04/40/603820440.db2.gz	TWVLLZPOWDUSRA-UHFFFAOYSA-N	-1	0	319.361	2.928	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)c2ccc(CNC(=O)[O-])o2)c(C)c1	ZINC000829998431	603998682	/nfs/dbraw/zinc/99/86/82/603998682.db2.gz	VKIXGFDSTJZGSL-UHFFFAOYSA-N	-1	0	317.345	2.729	20	50		DFGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)CCNC(=O)[O-]	ZINC000827568520	604049958	/nfs/dbraw/zinc/04/99/58/604049958.db2.gz	CYJVWVVSLUQVGL-UHFFFAOYSA-N	-1	0	321.402	2.981	20	50		DFGDRM
CN(C[C@@H]1CCN(/C(=C\C#N)c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000828234830	604214511	/nfs/dbraw/zinc/21/45/11/604214511.db2.gz	AGCBQZKOSPTCTK-CJTQKWKHSA-N	-1	0	303.337	2.622	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1	ZINC000832935720	604319029	/nfs/dbraw/zinc/31/90/29/604319029.db2.gz	KVBJJJISHMVIDS-UHFFFAOYSA-N	-1	0	306.268	2.728	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000830333132	604413615	/nfs/dbraw/zinc/41/36/15/604413615.db2.gz	NETIIGOBZVHMFU-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
C[C@H](CC(=O)NNc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000824678584	604578151	/nfs/dbraw/zinc/57/81/51/604578151.db2.gz	CJYGIYNDACOUTA-CHWSQXEVSA-N	-1	0	305.378	2.546	20	50		DFGDRM
Cc1c(NC(=O)NNc2cccc(C#N)c2)cccc1C(=O)[O-]	ZINC000833741654	604723754	/nfs/dbraw/zinc/72/37/54/604723754.db2.gz	FOMFJQWHMKWNLP-UHFFFAOYSA-N	-1	0	310.313	2.714	20	50		DFGDRM
CC(C)Cc1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)cc1	ZINC000833491272	604804452	/nfs/dbraw/zinc/80/44/52/604804452.db2.gz	RYYDTAVVKCOSLT-UHFFFAOYSA-N	-1	0	313.357	2.735	20	50		DFGDRM
CC(C)CC1(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CCCC1	ZINC000833481980	604804694	/nfs/dbraw/zinc/80/46/94/604804694.db2.gz	YRWYENVUCZLTLF-UHFFFAOYSA-N	-1	0	305.378	2.829	20	50		DFGDRM
CC(=NNC(=O)c1ncccc1C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814885854	605137901	/nfs/dbraw/zinc/13/79/01/605137901.db2.gz	LGBUABUCTPPKAW-NSHDSACASA-N	-1	0	305.378	2.777	20	50		DFGDRM
COc1ccc(NNC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000820846172	605243238	/nfs/dbraw/zinc/24/32/38/605243238.db2.gz	VXUVIBFSIZYWFO-UHFFFAOYSA-N	-1	0	320.732	2.804	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1ccc(F)cc1F)c1ccccc1	ZINC000831450503	605298223	/nfs/dbraw/zinc/29/82/23/605298223.db2.gz	BXMKDESVLKAFTF-UHFFFAOYSA-N	-1	0	321.283	2.593	20	50		DFGDRM
Cc1cc(C(=O)NNc2ccc(Cl)nc2)ccc1NC(=O)[O-]	ZINC000829961832	605320864	/nfs/dbraw/zinc/32/08/64/605320864.db2.gz	NKYAEGUORCVPHL-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CCCc1cccs1	ZINC000833802759	605625036	/nfs/dbraw/zinc/62/50/36/605625036.db2.gz	VRYNUPINGBDLQY-JTQLQIEISA-N	-1	0	311.407	2.609	20	50		DFGDRM
Cc1ccc(F)c(NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC000833749446	605706086	/nfs/dbraw/zinc/70/60/86/605706086.db2.gz	MEWUWHZDUMLCHV-UHFFFAOYSA-N	-1	0	303.293	2.981	20	50		DFGDRM
C[C@H]1CCCC[C@H]1CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833607797	605741259	/nfs/dbraw/zinc/74/12/59/605741259.db2.gz	GZUODPHZWYKRJN-AAEUAGOBSA-N	-1	0	305.378	2.837	20	50		DFGDRM
CC(C)(C)SCCNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833446490	605742788	/nfs/dbraw/zinc/74/27/88/605742788.db2.gz	DPBMMMXZHLSFEL-UHFFFAOYSA-N	-1	0	311.407	2.543	20	50		DFGDRM
CC(C)(C)c1ccc(NNC(=O)c2cccc(C(=O)[O-])n2)cc1	ZINC000833448723	605773909	/nfs/dbraw/zinc/77/39/09/605773909.db2.gz	DVYZKILXLMKNTI-UHFFFAOYSA-N	-1	0	313.357	2.834	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccccc1NCCC1=CCCCC1	ZINC000834250013	605811065	/nfs/dbraw/zinc/81/10/65/605811065.db2.gz	BYNCKUBERFPDOV-UHFFFAOYSA-N	-1	0	303.362	2.901	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1ccc(Cl)nc1	ZINC000834274650	606098246	/nfs/dbraw/zinc/09/82/46/606098246.db2.gz	OSSYLCJBXPOTJV-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)o1	ZINC000084161255	398395087	/nfs/dbraw/zinc/39/50/87/398395087.db2.gz	SCDSQLMYLJHTPQ-QWHCGFSZSA-N	-1	0	305.378	2.501	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)o1	ZINC000084380377	398398126	/nfs/dbraw/zinc/39/81/26/398398126.db2.gz	RBLVBZCKLQTHFI-VHSXEESVSA-N	-1	0	318.295	2.718	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@H]2C[C@H]2c2ccc(C)s2)o1	ZINC000084291511	398397421	/nfs/dbraw/zinc/39/74/21/398397421.db2.gz	JIVCDFIMIRXVSQ-MNOVXSKESA-N	-1	0	304.371	2.523	20	50		DFGDRM
CC[C@@H](C(=O)N[N-]C(=O)c1cc(C(C)C)no1)c1ccccc1	ZINC000070862148	398602291	/nfs/dbraw/zinc/60/22/91/398602291.db2.gz	PRYDFLMKYWDCPT-CYBMUJFWSA-N	-1	0	315.373	2.753	20	50		DFGDRM
CCc1ccc(-c2ccc(C(=O)[N-]NC(=O)NC(C)C)o2)cc1	ZINC000079803626	399086227	/nfs/dbraw/zinc/08/62/27/399086227.db2.gz	CKHBTILITVYSNB-UHFFFAOYSA-N	-1	0	315.373	2.861	20	50		DFGDRM
N#C/C(=C\c1cc(F)c([O-])c(F)c1)C(=O)Nc1nccs1	ZINC000175319592	267879928	/nfs/dbraw/zinc/87/99/28/267879928.db2.gz	SNUBGPOXQUGSOC-FPYGCLRLSA-N	-1	0	307.281	2.673	20	50		DFGDRM
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC(=O)[O-])C1	ZINC000819091169	597079035	/nfs/dbraw/zinc/07/90/35/597079035.db2.gz	QVVGJNOGSHPKMW-CUTJPZLCSA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])CSCC(=O)NN(c1ccccc1)c1ccccc1	ZINC000740485460	597082146	/nfs/dbraw/zinc/08/21/46/597082146.db2.gz	QBXFXJWIHNCEJJ-UHFFFAOYSA-N	-1	0	316.382	2.674	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)c2cccc3cccnc32)CC1	ZINC000814824322	598096976	/nfs/dbraw/zinc/09/69/76/598096976.db2.gz	ROBYYTDENVCGRT-UHFFFAOYSA-N	-1	0	311.341	2.595	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@H](CC(C)C)NC(=O)[O-])c(C)c1	ZINC000832875127	600789437	/nfs/dbraw/zinc/78/94/37/600789437.db2.gz	VGMLRGVGVXKLOJ-ZDUSSCGKSA-N	-1	0	307.394	2.737	20	50		DFGDRM
Cc1cc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000832899447	601148233	/nfs/dbraw/zinc/14/82/33/601148233.db2.gz	OXBIUXQJRCDBFF-GHMZBOCLSA-N	-1	0	307.302	2.700	20	50		DFGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(Cl)cc1	ZINC000833062376	601330202	/nfs/dbraw/zinc/33/02/02/601330202.db2.gz	ASKROHMCOXELOP-VQHVLOKHSA-N	-1	0	315.716	2.912	20	50		DFGDRM
O=C([O-])c1ccc(O)c(C=NNC(=O)c2cc3ccccc3o2)c1	ZINC000833321837	601378543	/nfs/dbraw/zinc/37/85/43/601378543.db2.gz	OKQMJQNUAOJYDF-UHFFFAOYSA-N	-1	0	324.292	2.601	20	50		DFGDRM
CCOc1ccccc1[C@@H](CC(C)C)NC(=O)NNC(=O)[O-]	ZINC000827453354	603904430	/nfs/dbraw/zinc/90/44/30/603904430.db2.gz	TUAAZIDIVCBGSC-GFCCVEGCSA-N	-1	0	309.366	2.654	20	50		DFGDRM
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1ccc(F)cc1)C2	ZINC000831308515	603974026	/nfs/dbraw/zinc/97/40/26/603974026.db2.gz	UIDFNPOMRKCHBI-FTNCPSPGSA-N	-1	0	321.352	2.580	20	50		DFGDRM
CCc1cc(SC#N)cc(CC)c1NC(=O)CN(C)C(=O)[O-]	ZINC000827570758	604049913	/nfs/dbraw/zinc/04/99/13/604049913.db2.gz	VBJAKCJELUFGQU-UHFFFAOYSA-N	-1	0	321.402	2.933	20	50		DFGDRM
Cc1ccc(F)c(NNC(=O)c2ccc(NC(=O)[O-])cc2O)c1	ZINC000830333326	604412809	/nfs/dbraw/zinc/41/28/09/604412809.db2.gz	ULIDLMKAEKCZDZ-UHFFFAOYSA-N	-1	0	319.292	2.687	20	50		DFGDRM
CC(=NNC(=O)c1ccc(N)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814690675	604632772	/nfs/dbraw/zinc/63/27/72/604632772.db2.gz	VBVKFXSTESIUMX-LLVKDONJSA-N	-1	0	305.378	2.656	20	50		DFGDRM
Cc1c(NC(=O)NNc2ncccc2Cl)cccc1C(=O)[O-]	ZINC000833742660	604723478	/nfs/dbraw/zinc/72/34/78/604723478.db2.gz	WHPURYWUKPZZKA-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)cc1Cl	ZINC000833468506	604934713	/nfs/dbraw/zinc/93/47/13/604934713.db2.gz	PHLGSRMLCGWDNV-JTQLQIEISA-N	-1	0	320.176	2.729	20	50		DFGDRM
C[C@@H](C(=O)[O-])n1cccc1C=NNC(=O)CCC1CCCCC1	ZINC000833407224	605040099	/nfs/dbraw/zinc/04/00/99/605040099.db2.gz	LUZIJLVEYFQKCE-ZDUSSCGKSA-N	-1	0	319.405	2.944	20	50		DFGDRM
Cc1ccccc1NNC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1	ZINC000830587301	605252054	/nfs/dbraw/zinc/25/20/54/605252054.db2.gz	WETCAQZZAQATAR-ZDUSSCGKSA-N	-1	0	319.405	2.854	20	50		DFGDRM
O=C([O-])N[C@H](CC(=O)NNc1ccccc1F)c1ccccc1	ZINC000834125535	605717494	/nfs/dbraw/zinc/71/74/94/605717494.db2.gz	GNAKLKYXLQYHFC-CQSZACIVSA-N	-1	0	317.320	2.668	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NNc1ccc(OC(F)F)cc1	ZINC000833455540	605717619	/nfs/dbraw/zinc/71/76/19/605717619.db2.gz	IAGOVKMZWCQVLP-UHFFFAOYSA-N	-1	0	316.304	2.622	20	50		DFGDRM
N#Cc1ccc(NNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1	ZINC000833977631	605719023	/nfs/dbraw/zinc/71/90/23/605719023.db2.gz	QTVGUQXHSJQIJW-UHFFFAOYSA-N	-1	0	314.276	2.544	20	50		DFGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccs1	ZINC000833521681	605739931	/nfs/dbraw/zinc/73/99/31/605739931.db2.gz	QEUMTNKVRCBAOV-VIFPVBQESA-N	-1	0	305.359	2.834	20	50		DFGDRM
C[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000833520703	605745512	/nfs/dbraw/zinc/74/55/12/605745512.db2.gz	GYCIZYBOSNQRSV-NSHDSACASA-N	-1	0	324.340	2.644	20	50		DFGDRM
O=C([O-])NCCCC(=O)NN=Cc1c(Cl)oc2ccccc12	ZINC000834228486	605797036	/nfs/dbraw/zinc/79/70/36/605797036.db2.gz	ISJJEBHYVXDCHV-UHFFFAOYSA-N	-1	0	323.736	2.584	20	50		DFGDRM
O=C([O-])NCCCC(=O)NN=C1CCC(c2ccccc2)CC1	ZINC000834229310	605797767	/nfs/dbraw/zinc/79/77/67/605797767.db2.gz	DGEFCKKZQXWPKI-UHFFFAOYSA-N	-1	0	317.389	2.864	20	50		DFGDRM
O=C([O-])N[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	ZINC000834169867	605859225	/nfs/dbraw/zinc/85/92/25/605859225.db2.gz	PAOJPPNSFINENR-AWEZNQCLSA-N	-1	0	311.341	2.746	20	50		DFGDRM
O=C([O-])Nc1ncccc1C=NNC(=O)c1cccc(Cl)c1	ZINC000834283405	605956401	/nfs/dbraw/zinc/95/64/01/605956401.db2.gz	OJGMOGZMLUCGGG-UHFFFAOYSA-N	-1	0	318.720	2.589	20	50		DFGDRM
CCOC(=O)N[N-]C(=O)c1csc(-c2ccccc2C)n1	ZINC000066590789	398386649	/nfs/dbraw/zinc/38/66/49/398386649.db2.gz	GPZYGXUABIMBIG-UHFFFAOYSA-N	-1	0	305.359	2.509	20	50		DFGDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C(/C#N)C(=O)NC1CCCC1	ZINC000490691445	270002491	/nfs/dbraw/zinc/00/24/91/270002491.db2.gz	FSYDEPJDNVKXAJ-ZSOIEALJSA-N	-1	0	312.369	2.967	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]O[C@H]2CCCCO2)cc1	ZINC000195459365	266319168	/nfs/dbraw/zinc/31/91/68/266319168.db2.gz	NVHLJCBGSGWIGJ-UKYUDJEDSA-N	-1	0	316.357	2.567	20	50		DFGDRM
CCCN([N-]C(=O)c1ccc(C#N)s1)C(=O)OC(C)(C)C	ZINC000495631169	267017479	/nfs/dbraw/zinc/01/74/79/267017479.db2.gz	LQUNERGKWBBBIC-UHFFFAOYSA-N	-1	0	309.391	2.912	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OC/C=C\Cl)cc1	ZINC000491109083	267161972	/nfs/dbraw/zinc/16/19/72/267161972.db2.gz	ZIIHZBJTZZWYEP-NFKBQMSDSA-N	-1	0	306.749	2.793	20	50		DFGDRM
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000490726320	268146233	/nfs/dbraw/zinc/14/62/33/268146233.db2.gz	PFVRWIAKTAUIEP-IZZDOVSWSA-N	-1	0	323.333	2.864	20	50		DFGDRM
O=C([O-])[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	ZINC000769512192	597503852	/nfs/dbraw/zinc/50/38/52/597503852.db2.gz	WBUKUXWVONOHBD-QWRGUYRKSA-N	-1	0	303.449	2.634	20	50		DFGDRM
O=C([O-])Cc1ccccc1NC(=O)NNc1ccc(F)cc1	ZINC000821539529	598147476	/nfs/dbraw/zinc/14/74/76/598147476.db2.gz	YLGDAXSMMIFIGZ-UHFFFAOYSA-N	-1	0	303.293	2.601	20	50		DFGDRM
CC[C@@H](C(=O)NN=Cc1ccc(C(=O)[O-])o1)c1ccccc1	ZINC000736846374	600180956	/nfs/dbraw/zinc/18/09/56/600180956.db2.gz	HGJMNGCBTAIDMR-CYBMUJFWSA-N	-1	0	300.314	2.622	20	50		DFGDRM
CC(F)(F)CCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736628640	600457166	/nfs/dbraw/zinc/45/71/66/600457166.db2.gz	JCOTXDNNOCOBTR-UHFFFAOYSA-N	-1	0	303.217	2.634	20	50		DFGDRM
Cc1cc(F)cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000832887658	600974081	/nfs/dbraw/zinc/97/40/81/600974081.db2.gz	UZLWLGGQIDTJCU-UHFFFAOYSA-N	-1	0	319.244	2.960	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)[C@@H]2CC23CCCC3)ccc1[N+](=O)[O-]	ZINC000833300909	601270122	/nfs/dbraw/zinc/27/01/22/601270122.db2.gz	PSGXUUPFOSBVSG-NSHDSACASA-N	-1	0	305.286	2.779	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)OC/C=C(/C)C(=O)[O-])cc1	ZINC000830064731	601411191	/nfs/dbraw/zinc/41/11/91/601411191.db2.gz	VLVUYXZWZDQUOG-GZJNHUFVSA-N	-1	0	315.325	2.566	20	50		DFGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OC/C=C(\C)C(=O)[O-])cc1	ZINC000830064739	601411260	/nfs/dbraw/zinc/41/12/60/601411260.db2.gz	VLVUYXZWZDQUOG-XNKFTRODSA-N	-1	0	315.325	2.566	20	50		DFGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)C(=O)Nc1ccccc1Cl	ZINC000833064204	601789548	/nfs/dbraw/zinc/78/95/48/601789548.db2.gz	PQAQEMGRGFAYSZ-YHYXMXQVSA-N	-1	0	315.716	2.912	20	50		DFGDRM
C=CCC(CC=C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000825664608	602295392	/nfs/dbraw/zinc/29/53/92/602295392.db2.gz	GBMPKCWZOUWTLF-UHFFFAOYSA-N	-1	0	305.286	2.967	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)CCC(C)(C)NC(=O)[O-])c(C)c1	ZINC000829996511	603998673	/nfs/dbraw/zinc/99/86/73/603998673.db2.gz	AOFRJGIUYQANAV-UHFFFAOYSA-N	-1	0	307.394	2.881	20	50		DFGDRM
CCC[C@](C)(NC(=O)[O-])C(=O)NNc1ccc(Cl)c(F)c1	ZINC000826722040	604004189	/nfs/dbraw/zinc/00/41/89/604004189.db2.gz	WREQTKPGLLYWPC-ZDUSSCGKSA-N	-1	0	317.748	2.749	20	50		DFGDRM
CN(C(=O)[O-])C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	ZINC000827830239	604214604	/nfs/dbraw/zinc/21/46/04/604214604.db2.gz	SARAVVZJCRFPLP-GIDUJCDVSA-N	-1	0	303.337	2.764	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2c(F)cccc2F)cc1F	ZINC000833148460	604279556	/nfs/dbraw/zinc/27/95/56/604279556.db2.gz	KAYPFECAKVRPOA-UHFFFAOYSA-N	-1	0	310.231	2.559	20	50		DFGDRM
CC(=NNC(=O)c1scnc1C)[C@H](C)CCCCC(=O)[O-]	ZINC000814838784	604638630	/nfs/dbraw/zinc/63/86/30/604638630.db2.gz	BKFXIIBUDAEIOR-SECBINFHSA-N	-1	0	311.407	2.838	20	50		DFGDRM
CC(C)(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)s1	ZINC000833450721	604802381	/nfs/dbraw/zinc/80/23/81/604802381.db2.gz	XJYAUIZLFBCXNL-UHFFFAOYSA-N	-1	0	319.386	2.896	20	50		DFGDRM
CCC[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833647963	604805376	/nfs/dbraw/zinc/80/53/76/604805376.db2.gz	MNZOJCUUDZBIKS-AWEZNQCLSA-N	-1	0	313.357	2.807	20	50		DFGDRM
CC(C)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)no1	ZINC000833509781	605044581	/nfs/dbraw/zinc/04/45/81/605044581.db2.gz	RXUCWSPZMBELPO-UHFFFAOYSA-N	-1	0	320.257	2.624	20	50		DFGDRM
O=C([O-])NNC(=O)COc1ccc(-c2ccccc2)cc1Cl	ZINC000832748813	605188221	/nfs/dbraw/zinc/18/82/21/605188221.db2.gz	VEHSPFXESLJYKC-UHFFFAOYSA-N	-1	0	320.732	2.685	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NN=c1ccc2ccccc2[nH]1	ZINC000833455845	605235751	/nfs/dbraw/zinc/23/57/51/605235751.db2.gz	ZPSDRBHUBFOURE-UHFFFAOYSA-N	-1	0	301.346	2.569	20	50		DFGDRM
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833535923	605260538	/nfs/dbraw/zinc/26/05/38/605260538.db2.gz	MTYKHNIQKXYCLN-GFCCVEGCSA-N	-1	0	320.389	2.956	20	50		DFGDRM
Cc1nc(C)c(NC(=O)NNc2cccc(C(=O)[O-])c2)s1	ZINC000833754648	605714473	/nfs/dbraw/zinc/71/44/73/605714473.db2.gz	AAPYETXZOMUYHT-UHFFFAOYSA-N	-1	0	306.347	2.607	20	50		DFGDRM
C[C@@H]1CC(NC(=O)NNc2cccc(C(=O)[O-])c2)C[C@@H](C)C1	ZINC000833594268	605743978	/nfs/dbraw/zinc/74/39/78/605743978.db2.gz	MWNJXEZDWPABGB-QWRGUYRKSA-N	-1	0	305.378	2.836	20	50		DFGDRM
C[C@@H]1CC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@@H](C)C1	ZINC000833603438	605744783	/nfs/dbraw/zinc/74/47/83/605744783.db2.gz	LELJXEVSVSBZKO-SUNKGSAMSA-N	-1	0	305.378	2.836	20	50		DFGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1cccc(C#N)c1	ZINC000833520695	605745691	/nfs/dbraw/zinc/74/56/91/605745691.db2.gz	GYCIZYBOSNQRSV-LLVKDONJSA-N	-1	0	324.340	2.644	20	50		DFGDRM
CCC[C@@](C)(NC(=O)[C@@H](Br)C(C)(C)C)C(=O)[O-]	ZINC000833647299	605776695	/nfs/dbraw/zinc/77/66/95/605776695.db2.gz	AXVDKMBDMLITOI-PRHODGIISA-N	-1	0	308.216	2.556	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)C[C@H](C)c2ccc(F)cc2)o1	ZINC000084284362	398397274	/nfs/dbraw/zinc/39/72/74/398397274.db2.gz	ZHUPCMJDWPVHIJ-JTQLQIEISA-N	-1	0	304.321	2.682	20	50		DFGDRM
O=C([N-]NC(=O)C1CC1)c1occc1CSc1ccccc1	ZINC000073070003	398659426	/nfs/dbraw/zinc/65/94/26/398659426.db2.gz	GAGCWRJHYCFHQR-UHFFFAOYSA-N	-1	0	316.382	2.743	20	50		DFGDRM
CCOc1cc(/C=C(\C#N)S(=O)(=O)CC)cc(Cl)c1[O-]	ZINC000191764533	266306278	/nfs/dbraw/zinc/30/62/78/266306278.db2.gz	SQWHESBYJJIMPC-BJMVGYQFSA-N	-1	0	315.778	2.743	20	50		DFGDRM
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000490944444	267247206	/nfs/dbraw/zinc/24/72/06/267247206.db2.gz	WKVJKSZNRQZEBQ-UKTHLTGXSA-N	-1	0	321.336	2.888	20	50		DFGDRM
N#C/C(=C\c1ccc(C#N)s1)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000176402818	267881789	/nfs/dbraw/zinc/88/17/89/267881789.db2.gz	ZZVHOZOGMYDZLY-JXMROGBWSA-N	-1	0	323.333	2.864	20	50		DFGDRM
N#C/C(=C\c1ccc(O)c(C(=O)[O-])c1)C(=O)Nc1ccccc1	ZINC000490908393	268150927	/nfs/dbraw/zinc/15/09/27/268150927.db2.gz	KEMANKGVCYJFQO-XYOKQWHBSA-N	-1	0	308.293	2.636	20	50		DFGDRM
Cc1cc(NC(=O)NNc2cccc(C#N)c2)ccc1C(=O)[O-]	ZINC000821033940	598147547	/nfs/dbraw/zinc/14/75/47/598147547.db2.gz	FWYPPCIOKCRIBN-UHFFFAOYSA-N	-1	0	310.313	2.714	20	50		DFGDRM
O=C([O-])c1cccc(C(=O)NN=c2ccc3ccccc3[nH]2)c1	ZINC000821549675	598198151	/nfs/dbraw/zinc/19/81/51/598198151.db2.gz	ORJQETHNCTUOMO-UHFFFAOYSA-N	-1	0	307.309	2.690	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(Cl)c1SC(F)F	ZINC000740002429	599758085	/nfs/dbraw/zinc/75/80/85/599758085.db2.gz	IHSCLTLBDQIOGF-UHFFFAOYSA-N	-1	0	311.697	2.959	20	50		DFGDRM
O=C([O-])[C@@H]1C[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	ZINC000739550258	600057898	/nfs/dbraw/zinc/05/78/98/600057898.db2.gz	XSRBZUWHFJHARG-PHDIDXHHSA-N	-1	0	323.563	2.811	20	50		DFGDRM
CC(C)CCC(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000736428639	600181011	/nfs/dbraw/zinc/18/10/11/600181011.db2.gz	NBDPXLXOPNLENX-UHFFFAOYSA-N	-1	0	301.346	2.752	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	ZINC000739454365	600418862	/nfs/dbraw/zinc/41/88/62/600418862.db2.gz	RFKOFWREJMSCEW-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
CC(C)(C)Cc1nc2cc(NC(=O)NNC(=O)[O-])ccc2o1	ZINC000736262304	600464348	/nfs/dbraw/zinc/46/43/48/600464348.db2.gz	XQOOXMQKPBYDMV-UHFFFAOYSA-N	-1	0	306.322	2.721	20	50		DFGDRM
CN(C(=O)/C(C#N)=C\c1ccoc1C(=O)[O-])C1CCCCC1	ZINC000737312313	600472933	/nfs/dbraw/zinc/47/29/33/600472933.db2.gz	YGCPQCATXWKNMF-XFXZXTDPSA-N	-1	0	302.330	2.676	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccccc1F	ZINC000833149227	600733643	/nfs/dbraw/zinc/73/36/43/600733643.db2.gz	JFUUSVXEVLUBCJ-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)CCC1CCCCC1)c1ccccc1F	ZINC000833096313	600747211	/nfs/dbraw/zinc/74/72/11/600747211.db2.gz	GPSZQTBAJHGYMJ-INIZCTEOSA-N	-1	0	322.380	2.933	20	50		DFGDRM
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)c1C	ZINC000832970694	601330745	/nfs/dbraw/zinc/33/07/45/601330745.db2.gz	LEDPQZRRPDJMJZ-WQLSENKSSA-N	-1	0	309.325	2.875	20	50		DFGDRM
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c[nH]c(C(=O)[O-])c1	ZINC000832964431	601789648	/nfs/dbraw/zinc/78/96/48/601789648.db2.gz	DKQGEQJLMCUFGF-AWNIVKPZSA-N	-1	0	309.325	2.875	20	50		DFGDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NNc1c(Cl)cccc1Cl	ZINC000826705300	602052306	/nfs/dbraw/zinc/05/23/06/602052306.db2.gz	PIUOMPZAECSPAU-VIFPVBQESA-N	-1	0	320.176	2.729	20	50		DFGDRM
CC(C)(CNC(=O)[O-])C(=O)NNc1cc(Cl)ccc1Cl	ZINC000823964550	603801400	/nfs/dbraw/zinc/80/14/00/603801400.db2.gz	IPMKQIBJXNOCPC-UHFFFAOYSA-N	-1	0	320.176	2.730	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)CC2CCN(C(=O)[O-])CC2)c(C)c1	ZINC000829998325	603998725	/nfs/dbraw/zinc/99/87/25/603998725.db2.gz	SXTONCKMOWCYPH-UHFFFAOYSA-N	-1	0	319.405	2.835	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2ccc(Cl)nc2)ccc1F	ZINC000832820632	604032536	/nfs/dbraw/zinc/03/25/36/604032536.db2.gz	IYCGJYMSNWYRFT-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
COc1ccc(NNC(=O)c2ccc(NC(=O)[O-])cc2)cc1	ZINC000829484223	604222162	/nfs/dbraw/zinc/22/21/62/604222162.db2.gz	QDBHUUHGJQDURM-UHFFFAOYSA-N	-1	0	301.302	2.542	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccccn2)c(Cl)c1	ZINC000834257454	605325685	/nfs/dbraw/zinc/32/56/85/605325685.db2.gz	MRKUCPBTJJDEPO-UHFFFAOYSA-N	-1	0	306.709	2.582	20	50		DFGDRM
N#C/C=C(/c1ccccc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1	ZINC000833968948	605457221	/nfs/dbraw/zinc/45/72/21/605457221.db2.gz	PIAWQIVELDARPO-DBRNUMAUSA-N	-1	0	311.385	2.919	20	50		DFGDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cccc(Cl)c1	ZINC000824759116	605460266	/nfs/dbraw/zinc/46/02/66/605460266.db2.gz	IFTDLVUVWLTDCD-ZDUSSCGKSA-N	-1	0	323.780	2.978	20	50		DFGDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cccnc1	ZINC000824759518	605473999	/nfs/dbraw/zinc/47/39/99/605473999.db2.gz	NESZOXZYWXTSOO-CQSZACIVSA-N	-1	0	318.377	2.500	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cc(Cl)ccn1	ZINC000834271490	605478111	/nfs/dbraw/zinc/47/81/11/605478111.db2.gz	AUJOFZSLHVVPPN-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccccc1Cl	ZINC000833998308	605533749	/nfs/dbraw/zinc/53/37/49/605533749.db2.gz	OHOXLJOMPKSKSO-JTQLQIEISA-N	-1	0	311.769	2.706	20	50		DFGDRM
CC(C)(C)OC(=O)N[C@@H]1CC(=NNC(=O)[O-])c2ccccc21	ZINC000833441956	605577912	/nfs/dbraw/zinc/57/79/12/605577912.db2.gz	WXZWWBQZAHMNNG-LLVKDONJSA-N	-1	0	305.334	2.628	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1cccc(CSc2ccccn2)c1	ZINC000740003521	605675066	/nfs/dbraw/zinc/67/50/66/605675066.db2.gz	RHKORLONLKPXGV-UHFFFAOYSA-N	-1	0	318.358	2.678	20	50		DFGDRM
Cc1ccc(C#N)cc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833747296	605709456	/nfs/dbraw/zinc/70/94/56/605709456.db2.gz	IUISCSYBLVHSBI-UHFFFAOYSA-N	-1	0	310.313	2.714	20	50		DFGDRM
Cc1cc(Cl)ncc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833744389	605714568	/nfs/dbraw/zinc/71/45/68/605714568.db2.gz	DYPGTJBBAGLEGN-UHFFFAOYSA-N	-1	0	320.736	2.890	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1C(=O)NNc1ccc(Cl)cc1Cl	ZINC000834047243	605716258	/nfs/dbraw/zinc/71/62/58/605716258.db2.gz	INGOJDLZIKTNEZ-JTQLQIEISA-N	-1	0	318.160	2.579	20	50		DFGDRM
O=C([O-])NC1(C(=O)NNc2ccccc2Cl)CCCCC1	ZINC000834153428	605723160	/nfs/dbraw/zinc/72/31/60/605723160.db2.gz	FDPKTIALSXMYNQ-UHFFFAOYSA-N	-1	0	311.769	2.754	20	50		DFGDRM
C[C@@H]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833608050	605741622	/nfs/dbraw/zinc/74/16/22/605741622.db2.gz	LOLOQQRZQSOGCR-NEPJUHHUSA-N	-1	0	305.378	2.837	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2cccc(F)c2F)c1	ZINC000834267438	605834715	/nfs/dbraw/zinc/83/47/15/605834715.db2.gz	XRCYPYIXZBMXAI-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
O=C([O-])Nc1ncccc1C=NNC(=O)c1ccc(Cl)cc1	ZINC000834282815	605954851	/nfs/dbraw/zinc/95/48/51/605954851.db2.gz	GPBPYGIRXMYNKA-UHFFFAOYSA-N	-1	0	318.720	2.589	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)NCC[C@@H](C)c2ccccc2)o1	ZINC000084155914	398395026	/nfs/dbraw/zinc/39/50/26/398395026.db2.gz	OQVGGXZTMNVRLA-GFCCVEGCSA-N	-1	0	315.373	2.726	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)o1	ZINC000084380371	398398081	/nfs/dbraw/zinc/39/80/81/398398081.db2.gz	RBLVBZCKLQTHFI-ZJUUUORDSA-N	-1	0	318.295	2.718	20	50		DFGDRM
C[C@H]1Oc2ccccc2[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	ZINC000366499525	267249796	/nfs/dbraw/zinc/24/97/96/267249796.db2.gz	FYSLIBMTMYMXBA-HIKNWGFGSA-N	-1	0	320.348	2.938	20	50		DFGDRM
CN(Cc1ccccc1)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1	ZINC000490694633	267319647	/nfs/dbraw/zinc/31/96/47/267319647.db2.gz	LPAFZMKWRRXVEV-GZTJUZNOSA-N	-1	0	320.348	2.950	20	50		DFGDRM
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)[O-])cn1	ZINC000490637327	269637973	/nfs/dbraw/zinc/63/79/73/269637973.db2.gz	GXJMKGUQVILEJE-NTUHNPAUSA-N	-1	0	324.340	2.708	20	50		DFGDRM
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819091211	597086599	/nfs/dbraw/zinc/08/65/99/597086599.db2.gz	UBPUMXPYNSEAKZ-BYQGBLLGSA-N	-1	0	315.329	2.646	20	50		DFGDRM
O=C([O-])C1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	ZINC000814728752	598095787	/nfs/dbraw/zinc/09/57/87/598095787.db2.gz	KBMXJTDTHLWCNL-UHFFFAOYSA-N	-1	0	318.417	2.950	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)Cc2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC000739341313	600457708	/nfs/dbraw/zinc/45/77/08/600457708.db2.gz	JWRFLUUJAQHAPH-UHFFFAOYSA-N	-1	0	319.244	2.580	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@@H](CC(C)C)NC(=O)[O-])c(C)c1	ZINC000832875126	600789268	/nfs/dbraw/zinc/78/92/68/600789268.db2.gz	VGMLRGVGVXKLOJ-CYBMUJFWSA-N	-1	0	307.394	2.737	20	50		DFGDRM
Cc1cc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000832899453	601148229	/nfs/dbraw/zinc/14/82/29/601148229.db2.gz	OXBIUXQJRCDBFF-WDEREUQCSA-N	-1	0	307.302	2.700	20	50		DFGDRM
O=C([O-])[C@H]1CCC[C@H](C(=O)NN=c2[nH]ccc3sccc32)C1	ZINC000833185418	601210960	/nfs/dbraw/zinc/21/09/60/601210960.db2.gz	WRICPOOWRAVVKU-UWVGGRQHSA-N	-1	0	319.386	2.630	20	50		DFGDRM
O=C([O-])c1ccccc1C=NNC(=O)c1ccc(Cl)cc1F	ZINC000747644118	601337527	/nfs/dbraw/zinc/33/75/27/601337527.db2.gz	ZKSJHBYMLUXSRQ-UHFFFAOYSA-N	-1	0	320.707	2.941	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	ZINC000833149290	601349827	/nfs/dbraw/zinc/34/98/27/601349827.db2.gz	LTKMVSODGAEGSV-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c[nH]c(C(=O)[O-])c1	ZINC000832964432	601789505	/nfs/dbraw/zinc/78/95/05/601789505.db2.gz	DKQGEQJLMCUFGF-MLPAPPSSSA-N	-1	0	309.325	2.875	20	50		DFGDRM
O=C([O-])NNC(=O)NCC1(c2ccccc2)CCCCCC1	ZINC000740684118	602083630	/nfs/dbraw/zinc/08/36/30/602083630.db2.gz	UHYVLVZRPIQUIE-UHFFFAOYSA-N	-1	0	305.378	2.760	20	50		DFGDRM
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1F	ZINC000832966298	602144729	/nfs/dbraw/zinc/14/47/29/602144729.db2.gz	MJFJDADLJXXSSV-UHFFFAOYSA-N	-1	0	319.244	2.960	20	50		DFGDRM
O=C([O-])Nc1ccc(C(=O)NNc2ccc(F)cc2F)c(O)c1	ZINC000740700605	602861668	/nfs/dbraw/zinc/86/16/68/602861668.db2.gz	UMHBIFHSMYSCLT-UHFFFAOYSA-N	-1	0	323.255	2.517	20	50		DFGDRM
O=C([O-])Nc1ccc(C=NNC(=O)c2cc3ccccc3o2)cn1	ZINC000832840989	603488696	/nfs/dbraw/zinc/48/86/96/603488696.db2.gz	PHZBNTHLQWTTSF-UHFFFAOYSA-N	-1	0	324.296	2.682	20	50		DFGDRM
O=C([O-])NC[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	ZINC000832450844	603830205	/nfs/dbraw/zinc/83/02/05/603830205.db2.gz	GCUUQWCHQLMVIJ-NSHDSACASA-N	-1	0	315.329	2.586	20	50		DFGDRM
CC(C)(CC(=O)NNc1cc(Cl)ccc1Cl)NC(=O)[O-]	ZINC000823882377	603838445	/nfs/dbraw/zinc/83/84/45/603838445.db2.gz	TUEUZJRPCFXCBX-UHFFFAOYSA-N	-1	0	320.176	2.873	20	50		DFGDRM
CN(C[C@@H]1CCN(/C(=C/C#N)c2ccc(F)cc2)C1)C(=O)[O-]	ZINC000828234831	604214603	/nfs/dbraw/zinc/21/46/03/604214603.db2.gz	AGCBQZKOSPTCTK-FCGPPKDQSA-N	-1	0	303.337	2.622	20	50		DFGDRM
CCc1cc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1	ZINC000830218591	604390003	/nfs/dbraw/zinc/39/00/03/604390003.db2.gz	BSQUAGALRBHCFN-UHFFFAOYSA-N	-1	0	319.269	2.976	20	50		DFGDRM
CC(C)(NC(=O)[O-])C(=O)NNc1c(Cl)cc(F)cc1Cl	ZINC000833461814	604510177	/nfs/dbraw/zinc/51/01/77/604510177.db2.gz	VFVMMTZCLAGHKW-UHFFFAOYSA-N	-1	0	324.139	2.622	20	50		DFGDRM
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNc1cc(C)ccc1F	ZINC000833749198	604940032	/nfs/dbraw/zinc/94/00/32/604940032.db2.gz	DFKSTCNLHCICGK-UHFFFAOYSA-N	-1	0	305.309	2.534	20	50		DFGDRM
CC(C)Oc1ccccc1C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833507335	605282144	/nfs/dbraw/zinc/28/21/44/605282144.db2.gz	FWIYSUBCLDIDGS-UHFFFAOYSA-N	-1	0	314.341	2.929	20	50		DFGDRM
O=C([O-])N(CC(=O)NNc1c(F)cccc1F)c1ccccc1	ZINC000831451516	605350225	/nfs/dbraw/zinc/35/02/25/605350225.db2.gz	YQDHCDRAUBJDMK-UHFFFAOYSA-N	-1	0	321.283	2.593	20	50		DFGDRM
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1cc(C)oc1C	ZINC000824759037	605460569	/nfs/dbraw/zinc/46/05/69/605460569.db2.gz	GRKDFRYKJYCSID-LBPRGKRZSA-N	-1	0	307.350	2.535	20	50		DFGDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccncc1	ZINC000824758749	605474222	/nfs/dbraw/zinc/47/42/22/605474222.db2.gz	AWIKRHJRGSSNMH-AWEZNQCLSA-N	-1	0	318.377	2.500	20	50		DFGDRM
CC(C)(CC(=O)[O-])CC(=O)NNc1cccc2c1CCCC2	ZINC000833455737	605717663	/nfs/dbraw/zinc/71/76/63/605717663.db2.gz	RLDXFHHUWDZBLX-UHFFFAOYSA-N	-1	0	304.390	2.900	20	50		DFGDRM
O=C([O-])N[C@@H](C(=O)NNc1ccccc1Cl)c1ccccc1	ZINC000834251814	605725066	/nfs/dbraw/zinc/72/50/66/605725066.db2.gz	VLBVDBFLLFXGNQ-CYBMUJFWSA-N	-1	0	319.748	2.792	20	50		DFGDRM
O=C([O-])Nc1ccccc1C(=O)NNc1cccc(F)c1F	ZINC000834270035	605740287	/nfs/dbraw/zinc/74/02/87/605740287.db2.gz	UIGYNMIAFILVGO-UHFFFAOYSA-N	-1	0	307.256	2.812	20	50		DFGDRM
C[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C1CCCCC1	ZINC000833521674	605743507	/nfs/dbraw/zinc/74/35/07/605743507.db2.gz	QBNVLEVDJCQCGE-LLVKDONJSA-N	-1	0	305.378	2.980	20	50		DFGDRM
CC1(C)CCCC[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833560843	605746240	/nfs/dbraw/zinc/74/62/40/605746240.db2.gz	KLMPFWADXNUTKH-ZDUSSCGKSA-N	-1	0	305.378	2.980	20	50		DFGDRM
C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833613546	605747279	/nfs/dbraw/zinc/74/72/79/605747279.db2.gz	YEADQUVHNSTANL-YABSGUDNSA-N	-1	0	305.378	2.836	20	50		DFGDRM
O=C([O-])N1CCC(CC(=O)NNc2ccc(Cl)cc2)CC1	ZINC000833988058	605763360	/nfs/dbraw/zinc/76/33/60/605763360.db2.gz	OXHHLBKDHGXYNP-UHFFFAOYSA-N	-1	0	311.769	2.563	20	50		DFGDRM
CC(C)(C(=O)NNc1cccc(C(=O)[O-])c1)c1cccs1	ZINC000833411679	605773134	/nfs/dbraw/zinc/77/31/34/605773134.db2.gz	NKOAIRPAMRSRKF-UHFFFAOYSA-N	-1	0	304.371	2.867	20	50		DFGDRM
C[C@@H](COc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833520257	605774075	/nfs/dbraw/zinc/77/40/75/605774075.db2.gz	RWWFGDNNWPEQIJ-LBPRGKRZSA-N	-1	0	314.341	2.543	20	50		DFGDRM
CCOC(=O)N[N-]C(=O)c1csc(-c2ccc(C)cc2)n1	ZINC000021772150	398414293	/nfs/dbraw/zinc/41/42/93/398414293.db2.gz	WTQNOBGJWDXNRP-UHFFFAOYSA-N	-1	0	305.359	2.509	20	50		DFGDRM
CC(C)CC(=O)N[N-]C(=O)c1csc(-c2cccs2)n1	ZINC000024608471	398432164	/nfs/dbraw/zinc/43/21/64/398432164.db2.gz	MRMVMDDBFDAJIY-UHFFFAOYSA-N	-1	0	309.416	2.679	20	50		DFGDRM
CCOC(=O)N[N-]C(=O)c1ccc(-c2ccccc2Cl)o1	ZINC000039527209	398558885	/nfs/dbraw/zinc/55/88/85/398558885.db2.gz	UVPXSJNOIUZRSC-UHFFFAOYSA-N	-1	0	308.721	2.991	20	50		DFGDRM
N#Cc1cccc(NNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1	ZINC000821340529	598147901	/nfs/dbraw/zinc/14/79/01/598147901.db2.gz	KYKOHKPNVZQGGR-UHFFFAOYSA-N	-1	0	314.276	2.544	20	50		DFGDRM
Cc1cc2ccccc2[nH]c1=NNC(=O)c1cccc(C(=O)[O-])c1	ZINC000821052220	598198258	/nfs/dbraw/zinc/19/82/58/598198258.db2.gz	KNZYEQXZJMEEKG-UHFFFAOYSA-N	-1	0	321.336	2.998	20	50		DFGDRM
Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(C(=O)[O-])cc1	ZINC000821052598	598198348	/nfs/dbraw/zinc/19/83/48/598198348.db2.gz	PNLYEKWTCNXHPL-UHFFFAOYSA-N	-1	0	321.336	2.998	20	50		DFGDRM
CC[C@@H](C(=O)NN=Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1	ZINC000736845323	600181206	/nfs/dbraw/zinc/18/12/06/600181206.db2.gz	AKEDGWHAPSGCRY-CQSZACIVSA-N	-1	0	314.341	2.930	20	50		DFGDRM
O=C([O-])c1ccccc1C=NNC(=O)CCCc1cccs1	ZINC000732529768	600423374	/nfs/dbraw/zinc/42/33/74/600423374.db2.gz	WNIGBBOYGKPFIW-UHFFFAOYSA-N	-1	0	316.382	2.919	20	50		DFGDRM
O=C([O-])CCCCCCNC(=O)NNc1c(F)cccc1F	ZINC000739666786	600517199	/nfs/dbraw/zinc/51/71/99/600517199.db2.gz	VCHLCEGRJKVLAJ-UHFFFAOYSA-N	-1	0	315.320	2.626	20	50		DFGDRM
C[C@H]1CC[C@@H](CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1	ZINC000828226648	600973306	/nfs/dbraw/zinc/97/33/06/600973306.db2.gz	WFIFNVRLJKYGRG-UWVGGRQHSA-N	-1	0	323.301	2.546	20	50		DFGDRM
Cc1ccnc(Oc2cc(NC(=O)NNC(=O)[O-])ccc2C)c1	ZINC000832984270	601100066	/nfs/dbraw/zinc/10/00/66/601100066.db2.gz	NRACAUFDDXJORB-UHFFFAOYSA-N	-1	0	316.317	2.795	20	50		DFGDRM
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1	ZINC000819084673	601141292	/nfs/dbraw/zinc/14/12/92/601141292.db2.gz	YZDISDFTAYCKPO-DHDCSXOGSA-N	-1	0	323.304	2.741	20	50		DFGDRM
O=C([O-])NN=Cc1ccc(Br)c(Br)c1	ZINC000833280246	601848413	/nfs/dbraw/zinc/84/84/13/601848413.db2.gz	CWMNFCMPNVNSFJ-UHFFFAOYSA-N	-1	0	321.956	2.813	20	50		DFGDRM
COc1ccc(-c2ccc(C(=O)NNC(=O)[O-])c(F)c2)c(F)c1	ZINC000738082405	602491113	/nfs/dbraw/zinc/49/11/13/602491113.db2.gz	JKBDYIFFPWNFGC-UHFFFAOYSA-N	-1	0	322.267	2.553	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@H](Cc1ccccc1)c1ccccc1F	ZINC000740683972	602946115	/nfs/dbraw/zinc/94/61/15/602946115.db2.gz	PXTGHFBFASPQSU-CQSZACIVSA-N	-1	0	317.320	2.591	20	50		DFGDRM
O=C([O-])NC[C@@H]1CCCC1=NNC(=O)CCCc1ccccc1	ZINC000740621463	603321126	/nfs/dbraw/zinc/32/11/26/603321126.db2.gz	XVJLRYVRFQHJHV-AWEZNQCLSA-N	-1	0	317.389	2.549	20	50		DFGDRM
O=C([O-])NC[C@H]1CCCC1=NNC(=O)CCCc1ccccc1	ZINC000740621464	603321271	/nfs/dbraw/zinc/32/12/71/603321271.db2.gz	XVJLRYVRFQHJHV-CQSZACIVSA-N	-1	0	317.389	2.549	20	50		DFGDRM
C[C@H](CCNC(=O)NNC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000824793366	603903131	/nfs/dbraw/zinc/90/31/31/603903131.db2.gz	JKYFYGPMZHQXBC-MRVPVSSYSA-N	-1	0	319.283	2.681	20	50		DFGDRM
CCC[C@](C)(NC(=O)[O-])C(=O)NNc1c(C)cc(C)cc1C	ZINC000826720985	603998627	/nfs/dbraw/zinc/99/86/27/603998627.db2.gz	OLHWPKORTWPGIX-INIZCTEOSA-N	-1	0	307.394	2.881	20	50		DFGDRM
CC(=NNC(=O)c1cc(C)oc1C)[C@H]1CCCCN1C(=O)[O-]	ZINC000823533384	604085645	/nfs/dbraw/zinc/08/56/45/604085645.db2.gz	RRMDPIFMQOHBFJ-CYBMUJFWSA-N	-1	0	307.350	2.535	20	50		DFGDRM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000830137730	604224951	/nfs/dbraw/zinc/22/49/51/604224951.db2.gz	GLBRJQIYMKSRSG-GHMZBOCLSA-N	-1	0	322.317	2.553	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)CC2(NC(=O)[O-])CCC2)c(C)c1	ZINC000829998649	604226675	/nfs/dbraw/zinc/22/66/75/604226675.db2.gz	WOADUWURZAOYAG-UHFFFAOYSA-N	-1	0	305.378	2.635	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000830521079	604579049	/nfs/dbraw/zinc/57/90/49/604579049.db2.gz	BMNHBYNWBSPNHM-UONOGXRCSA-N	-1	0	319.405	2.854	20	50		DFGDRM
C=C[C@H](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833371588	604801838	/nfs/dbraw/zinc/80/18/38/604801838.db2.gz	RBIZTAJCRMWDPY-GFCCVEGCSA-N	-1	0	311.341	2.583	20	50		DFGDRM
CC(C)c1ccsc1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833511577	604806867	/nfs/dbraw/zinc/80/68/67/604806867.db2.gz	YYMIWZOMZFSXIA-UHFFFAOYSA-N	-1	0	305.359	2.722	20	50		DFGDRM
CC(C)c1cc(Br)ccc1NC(=O)NNC(=O)[O-]	ZINC000833508635	604918736	/nfs/dbraw/zinc/91/87/36/604918736.db2.gz	OASPAGSHWQEMQV-UHFFFAOYSA-N	-1	0	316.155	2.877	20	50		DFGDRM
Cc1[nH]c(C(=O)NNc2cccc3cnccc32)c(C)c1C(=O)[O-]	ZINC000833739311	604940287	/nfs/dbraw/zinc/94/02/87/604940287.db2.gz	AOECSPGYLNMAAJ-UHFFFAOYSA-N	-1	0	324.340	2.635	20	50		DFGDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1ccc(Cl)c(F)c1	ZINC000824210859	605159170	/nfs/dbraw/zinc/15/91/70/605159170.db2.gz	KXNYXOSDXDQCLF-NSHDSACASA-N	-1	0	317.748	2.605	20	50		DFGDRM
O=C([O-])NNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1	ZINC000832748819	605188965	/nfs/dbraw/zinc/18/89/65/605188965.db2.gz	VIPDOROYJPSWEC-UHFFFAOYSA-N	-1	0	323.308	2.921	20	50		DFGDRM
C[C@@H](Sc1ccccc1C(=O)N1CC=C(C#N)CC1)C(=O)[O-]	ZINC000833544867	605226240	/nfs/dbraw/zinc/22/62/40/605226240.db2.gz	AOPJLKXRVDBLDM-LLVKDONJSA-N	-1	0	316.382	2.548	20	50		DFGDRM
CC(C)(C)CC(=O)NN[C@@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833422392	605358445	/nfs/dbraw/zinc/35/84/45/605358445.db2.gz	FVKPDWOYWSSIRK-GFCCVEGCSA-N	-1	0	316.760	2.662	20	50		DFGDRM
CC(=Cc1ccc(C)cc1)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833382468	605466654	/nfs/dbraw/zinc/46/66/54/605466654.db2.gz	DTFPJILIWQCNQW-XFXZXTDPSA-N	-1	0	311.341	2.635	20	50		DFGDRM
N#Cc1cccc(NNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1	ZINC000833977025	605656777	/nfs/dbraw/zinc/65/67/77/605656777.db2.gz	UHTIOGGFABTHTM-UHFFFAOYSA-N	-1	0	311.301	2.797	20	50		DFGDRM
O=C([O-])NCc1cccc(NC(=O)NNc2ccc(F)cc2)c1	ZINC000834246730	605657345	/nfs/dbraw/zinc/65/73/45/605657345.db2.gz	INYPUMBSYHIURY-UHFFFAOYSA-N	-1	0	318.308	2.742	20	50		DFGDRM
CCOc1ccc(NC(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833662971	605705977	/nfs/dbraw/zinc/70/59/77/605705977.db2.gz	PHRHUYWWTMWNFO-UHFFFAOYSA-N	-1	0	315.329	2.932	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1C(=O)NNc1ccc(Cl)cc1Cl	ZINC000834047244	605716207	/nfs/dbraw/zinc/71/62/07/605716207.db2.gz	INGOJDLZIKTNEZ-SNVBAGLBSA-N	-1	0	318.160	2.579	20	50		DFGDRM
O=C([O-])N1CCC[C@@H]1[C@@H]1CCCC1=NNC(=O)C1CCCC1	ZINC000834044854	605722604	/nfs/dbraw/zinc/72/26/04/605722604.db2.gz	JRSKVXCTYZTYOM-TZMCWYRMSA-N	-1	0	307.394	2.591	20	50		DFGDRM
O=C([O-])N[C@H]1CC(=NNC(=O)c2ccccc2)c2ccccc21	ZINC000834157708	605739829	/nfs/dbraw/zinc/73/98/29/605739829.db2.gz	LVRLZMMTIHLTHN-AWEZNQCLSA-N	-1	0	309.325	2.533	20	50		DFGDRM
CC(CC(C)(C)c1ccccc1)=NNC(=O)CCNC(=O)[O-]	ZINC000833800995	605745960	/nfs/dbraw/zinc/74/59/60/605745960.db2.gz	GGYSWTRNSOJHML-UHFFFAOYSA-N	-1	0	305.378	2.504	20	50		DFGDRM
CCC[C@@](C)(NC(=O)[C@H](Br)C(C)(C)C)C(=O)[O-]	ZINC000833647300	605776897	/nfs/dbraw/zinc/77/68/97/605776897.db2.gz	AXVDKMBDMLITOI-QPUJVOFHSA-N	-1	0	308.216	2.556	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2ccc(Cl)nc2)c1	ZINC000834266507	605844954	/nfs/dbraw/zinc/84/49/54/605844954.db2.gz	BVWLDOPCJSIZON-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
O=C([O-])NNC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1	ZINC000834251424	605993345	/nfs/dbraw/zinc/99/33/45/605993345.db2.gz	VLQSHAGXXVIDCB-UHFFFAOYSA-N	-1	0	319.144	2.645	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@H](c2ccccc2)C(C)C)o1	ZINC000084141020	398394184	/nfs/dbraw/zinc/39/41/84/398394184.db2.gz	OSNVECFGFIXOCI-HNNXBMFYSA-N	-1	0	315.373	2.929	20	50		DFGDRM
Cc1ccc(-c2nc(C)c(C(=O)[N-]NC(=O)CC(C)C)s2)o1	ZINC000032969546	398539460	/nfs/dbraw/zinc/53/94/60/398539460.db2.gz	MOMQIIRBMACWAV-UHFFFAOYSA-N	-1	0	321.402	2.827	20	50		DFGDRM
CC(C)CCC(=O)N[N-]C(=O)c1cc(-c2ccccc2)on1	ZINC000053723616	398881304	/nfs/dbraw/zinc/88/13/04/398881304.db2.gz	DUFIWIZGCTWVNT-UHFFFAOYSA-N	-1	0	301.346	2.539	20	50		DFGDRM
CC(C)(C)C(=O)N[N-]C(=O)c1cc(-c2ccccc2Cl)on1	ZINC000079566288	399058463	/nfs/dbraw/zinc/05/84/63/399058463.db2.gz	LBPJGIGBEMMQLJ-UHFFFAOYSA-N	-1	0	321.764	2.802	20	50		DFGDRM
Cc1cc(C)c(C(=O)[O-])cc1/C=C(\C#N)C(=O)NCC(C)C	ZINC000490696076	270002490	/nfs/dbraw/zinc/00/24/90/270002490.db2.gz	NWLBNQDVMMHHIP-MKMNVTDBSA-N	-1	0	300.358	2.681	20	50		DFGDRM
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC(=O)[O-])C1	ZINC000819091170	597079072	/nfs/dbraw/zinc/07/90/72/597079072.db2.gz	QVVGJNOGSHPKMW-FKZYXTMDSA-N	-1	0	315.329	2.646	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C)c1	ZINC000832874940	601212579	/nfs/dbraw/zinc/21/25/79/601212579.db2.gz	QBKXKVSZWNPDOC-ZIAGYGMSSA-N	-1	0	304.390	2.946	20	50		DFGDRM
CCc1oc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1C	ZINC000830402933	602144843	/nfs/dbraw/zinc/14/48/43/602144843.db2.gz	DZSGLLJTIYWUPS-UHFFFAOYSA-N	-1	0	319.269	2.976	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F	ZINC000740683971	602946004	/nfs/dbraw/zinc/94/60/04/602946004.db2.gz	PXTGHFBFASPQSU-AWEZNQCLSA-N	-1	0	317.320	2.591	20	50		DFGDRM
O=C([O-])NNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21	ZINC000832749051	603523341	/nfs/dbraw/zinc/52/33/41/603523341.db2.gz	ZSEAWVRILQMRQT-UHFFFAOYSA-N	-1	0	305.721	2.678	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1	ZINC000829991115	603998532	/nfs/dbraw/zinc/99/85/32/603998532.db2.gz	NPKNIDZTJGOTRW-UONOGXRCSA-N	-1	0	319.405	2.881	20	50		DFGDRM
CN(C(=O)[O-])[C@@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000827815806	604214362	/nfs/dbraw/zinc/21/43/62/604214362.db2.gz	FXQZIAXJGFPFPY-QVTJDRNWSA-N	-1	0	303.337	2.764	20	50		DFGDRM
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CC[C@H]1NC(=O)[O-]	ZINC000825955305	604217238	/nfs/dbraw/zinc/21/72/38/604217238.db2.gz	HBCPVTACXRSPSA-MXIBDEQYSA-N	-1	0	303.337	2.668	20	50		DFGDRM
O=C([O-])NNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1	ZINC000832743924	604246429	/nfs/dbraw/zinc/24/64/29/604246429.db2.gz	FUFFDBNHLKRYDQ-UHFFFAOYSA-N	-1	0	303.145	2.714	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccc(F)cc1)[C@H]1CCCN(C(=O)[O-])C1	ZINC000824679649	604297967	/nfs/dbraw/zinc/29/79/67/604297967.db2.gz	MHDHBOKNUPSXQV-RYUDHWBXSA-N	-1	0	323.368	2.685	20	50		DFGDRM
CCC[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1ccccc1	ZINC000833647964	604805438	/nfs/dbraw/zinc/80/54/38/604805438.db2.gz	MNZOJCUUDZBIKS-CQSZACIVSA-N	-1	0	313.357	2.807	20	50		DFGDRM
Cc1cc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1[N+](=O)[O-]	ZINC000832899897	604881210	/nfs/dbraw/zinc/88/12/10/604881210.db2.gz	UEQACRNBSWWNKG-UHFFFAOYSA-N	-1	0	319.244	2.960	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2cccc(Cl)c2)cc1F	ZINC000833148525	604925512	/nfs/dbraw/zinc/92/55/12/604925512.db2.gz	LINNWAAPFGXIMT-UHFFFAOYSA-N	-1	0	308.696	2.934	20	50		DFGDRM
CCCc1c(C(=O)NNc2ccccc2F)[nH]c(C)c1C(=O)[O-]	ZINC000833653172	604935516	/nfs/dbraw/zinc/93/55/16/604935516.db2.gz	OTYJWQQBTJZSFC-UHFFFAOYSA-N	-1	0	319.336	2.870	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC1=NNC(=O)[O-]	ZINC000833438871	605000447	/nfs/dbraw/zinc/00/04/47/605000447.db2.gz	GVKDSNVRRLEVPP-CMPLNLGQSA-N	-1	0	311.382	2.810	20	50		DFGDRM
CC(C)[C@H]1C[C@H](CC(=O)NNc2cccc(C(=O)[O-])c2)CCO1	ZINC000833471770	605130480	/nfs/dbraw/zinc/13/04/80/605130480.db2.gz	QCGYRHNUUXNYKL-IUODEOHRSA-N	-1	0	320.389	2.669	20	50		DFGDRM
C[C@@H](CC(=O)NN(C)c1ccccc1)C1CCN(C(=O)[O-])CC1	ZINC000824672217	605244715	/nfs/dbraw/zinc/24/47/15/605244715.db2.gz	TVIXGYPPSGEQMQ-ZDUSSCGKSA-N	-1	0	319.405	2.570	20	50		DFGDRM
CC(C)c1nc(C(=O)NNc2ccccc2C(=O)[O-])cs1	ZINC000833512144	605260421	/nfs/dbraw/zinc/26/04/21/605260421.db2.gz	JEIMPSOWNIZAFY-UHFFFAOYSA-N	-1	0	305.359	2.722	20	50		DFGDRM
O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NNc1ccccc1	ZINC000832356058	605528169	/nfs/dbraw/zinc/52/81/69/605528169.db2.gz	AQSQCCFTKTWEDJ-UONOGXRCSA-N	-1	0	305.378	2.736	20	50		DFGDRM
CC(C[C@@H](C)NC(=O)[O-])=NNC(=O)CCCc1ccccc1	ZINC000833800450	605624226	/nfs/dbraw/zinc/62/42/26/605624226.db2.gz	BYTRISHLPHQWKX-GFCCVEGCSA-N	-1	0	305.378	2.548	20	50		DFGDRM
O=C([O-])Nc1ccc(NC(=O)NNc2ncccc2Cl)cc1	ZINC000834261226	605658183	/nfs/dbraw/zinc/65/81/83/605658183.db2.gz	CYVJNFYGESYSQM-UHFFFAOYSA-N	-1	0	321.724	2.974	20	50		DFGDRM
O=C([O-])c1ccccc1NNC(=O)C(F)(F)c1ccc(F)cc1	ZINC000833783761	605722534	/nfs/dbraw/zinc/72/25/34/605722534.db2.gz	NACHLFULNJWSSH-UHFFFAOYSA-N	-1	0	324.258	2.759	20	50		DFGDRM
O=C([O-])N1CCC(CC(=O)NNc2ccccc2Cl)CC1	ZINC000833988648	605723525	/nfs/dbraw/zinc/72/35/25/605723525.db2.gz	WQURCQZHTWNILS-UHFFFAOYSA-N	-1	0	311.769	2.563	20	50		DFGDRM
C=CCOc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833378312	605729998	/nfs/dbraw/zinc/72/99/98/605729998.db2.gz	DFYUEFUEFDHWLT-UHFFFAOYSA-N	-1	0	312.325	2.707	20	50		DFGDRM
C#CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1)c1ccccc1	ZINC000833360962	605748227	/nfs/dbraw/zinc/74/82/27/605748227.db2.gz	UDUVKYGVOOPWHJ-MRXNPFEDSA-N	-1	0	323.352	2.776	20	50		DFGDRM
O=C([O-])N[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2)C1	ZINC000834171357	605763917	/nfs/dbraw/zinc/76/39/17/605763917.db2.gz	YANAPLADNBGJSR-JOYOIKCWSA-N	-1	0	311.769	2.610	20	50		DFGDRM
O=C([O-])N[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2)C1	ZINC000834171360	605764348	/nfs/dbraw/zinc/76/43/48/605764348.db2.gz	YANAPLADNBGJSR-SKDRFNHKSA-N	-1	0	311.769	2.610	20	50		DFGDRM
C[C@H](COc1ccccc1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833520256	605773855	/nfs/dbraw/zinc/77/38/55/605773855.db2.gz	RWWFGDNNWPEQIJ-GFCCVEGCSA-N	-1	0	314.341	2.543	20	50		DFGDRM
O=C([O-])N1CCC[C@@H](C=NNC(=O)c2cc3ccccc3o2)C1	ZINC000834044240	606053012	/nfs/dbraw/zinc/05/30/12/606053012.db2.gz	BNIBAQRWLRJDAO-NSHDSACASA-N	-1	0	315.329	2.538	20	50		DFGDRM
CC[C@H](C(=O)N[N-]C(=O)c1cc(C(C)C)no1)c1ccccc1	ZINC000070862145	398601734	/nfs/dbraw/zinc/60/17/34/398601734.db2.gz	PRYDFLMKYWDCPT-ZDUSSCGKSA-N	-1	0	315.373	2.753	20	50		DFGDRM
CCCn1c(C)cc(/C=C(\C#N)C(=O)[N-]OCCSC)c1C	ZINC000280058798	266087843	/nfs/dbraw/zinc/08/78/43/266087843.db2.gz	QODDPCBWMCZRLL-XNTDXEJSSA-N	-1	0	321.446	2.833	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCC(F)F)c1C	ZINC000490873291	267046513	/nfs/dbraw/zinc/04/65/13/267046513.db2.gz	CXNPESPGOGJQNM-QPEQYQDCSA-N	-1	0	311.332	2.735	20	50		DFGDRM
O=C([O-])c1cccc(C=NNC(=O)CCCc2cccs2)c1	ZINC000814847515	598201477	/nfs/dbraw/zinc/20/14/77/598201477.db2.gz	QWNVCBKFDZRILM-UHFFFAOYSA-N	-1	0	316.382	2.919	20	50		DFGDRM
CC(C)(C)CC(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12	ZINC000736252395	600181294	/nfs/dbraw/zinc/18/12/94/600181294.db2.gz	YYRNQMRYZOTGNT-UHFFFAOYSA-N	-1	0	301.346	2.752	20	50		DFGDRM
CC(C)c1ocnc1C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000736531238	600452140	/nfs/dbraw/zinc/45/21/40/600452140.db2.gz	WSFGCYGWPUGIKV-UHFFFAOYSA-N	-1	0	320.257	2.624	20	50		DFGDRM
O=C([O-])[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccccc1F	ZINC000833149629	600733531	/nfs/dbraw/zinc/73/35/31/600733531.db2.gz	XDRMSELSDGGZNU-ZDUSSCGKSA-N	-1	0	322.723	2.539	20	50		DFGDRM
N#C/C(=C/c1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-]	ZINC000743248561	600994667	/nfs/dbraw/zinc/99/46/67/600994667.db2.gz	XZHMYCHHMJXSEL-TUOYRWMMSA-N	-1	0	307.733	2.889	20	50		DFGDRM
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1cccc(C(=O)[O-])c1	ZINC000833064033	601141685	/nfs/dbraw/zinc/14/16/85/601141685.db2.gz	PBGWLXFSWFCDGJ-OVCLIPMQSA-N	-1	0	323.304	2.741	20	50		DFGDRM
O=C([O-])c1cc(OC(=O)[C@H]2CC23CCCC3)ccc1[N+](=O)[O-]	ZINC000833300906	601270201	/nfs/dbraw/zinc/27/02/01/601270201.db2.gz	PSGXUUPFOSBVSG-LLVKDONJSA-N	-1	0	305.286	2.779	20	50		DFGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)C(=O)Nc1ccc(Cl)cc1	ZINC000833062368	601330090	/nfs/dbraw/zinc/33/00/90/601330090.db2.gz	ASKROHMCOXELOP-CLFYSBASSA-N	-1	0	315.716	2.912	20	50		DFGDRM
Cc1ccc(NC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)c(Cl)c1	ZINC000749814780	601336876	/nfs/dbraw/zinc/33/68/76/601336876.db2.gz	RXEANGYYKHIZRO-UHFFFAOYSA-N	-1	0	320.736	2.830	20	50		DFGDRM
C[C@@H](Oc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1)C(=O)[O-]	ZINC000495749498	602072434	/nfs/dbraw/zinc/07/24/34/602072434.db2.gz	WEJYNRWFJRVWIT-LLVKDONJSA-N	-1	0	322.361	2.739	20	50		DFGDRM
CCC[C@H](NC(=O)[O-])C(=O)NNc1ccccc1C(F)(F)F	ZINC000739321047	602371758	/nfs/dbraw/zinc/37/17/58/602371758.db2.gz	UIJSRWCXHDBBQL-JTQLQIEISA-N	-1	0	319.283	2.585	20	50		DFGDRM
Cc1ccc2nc(-c3cccnc3)cc(C(=O)NNC(=O)[O-])c2c1	ZINC000738297314	602491045	/nfs/dbraw/zinc/49/10/45/602491045.db2.gz	JZFAFKNUKUWVDH-UHFFFAOYSA-N	-1	0	322.324	2.518	20	50		DFGDRM
CCc1ccccc1O[C@H](C(=O)NNC(=O)[O-])c1ccccc1	ZINC000739549367	602491485	/nfs/dbraw/zinc/49/14/85/602491485.db2.gz	KHCLEPFCPHQKKG-HNNXBMFYSA-N	-1	0	314.341	2.668	20	50		DFGDRM
CCc1ccccc1O[C@@H](C(=O)NNC(=O)[O-])c1ccccc1	ZINC000739549368	602491513	/nfs/dbraw/zinc/49/15/13/602491513.db2.gz	KHCLEPFCPHQKKG-OAHLLOKOSA-N	-1	0	314.341	2.668	20	50		DFGDRM
CN(N=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-]	ZINC000739721238	602748944	/nfs/dbraw/zinc/74/89/44/602748944.db2.gz	WDBRCWBSANNAQB-UHFFFAOYSA-N	-1	0	306.303	2.662	20	50		DFGDRM
Cc1cc(C)c(NNC(=O)C2CCC(NC(=O)[O-])CC2)c(C)c1	ZINC000829991131	603998760	/nfs/dbraw/zinc/99/87/60/603998760.db2.gz	OKVUBGILPWDBMU-UHFFFAOYSA-N	-1	0	319.405	2.881	20	50		DFGDRM
Cc1ccccc1NNC(=O)c1ccc(NC(=O)[O-])cc1O	ZINC000830585971	604000437	/nfs/dbraw/zinc/00/04/37/604000437.db2.gz	IGEAFNXHJLQLEW-UHFFFAOYSA-N	-1	0	301.302	2.547	20	50		DFGDRM
CC(C)N(CCC(=O)NNc1ccc(Cl)c(F)c1)C(=O)[O-]	ZINC000824341658	604004617	/nfs/dbraw/zinc/00/46/17/604004617.db2.gz	RXXMYTJTGHKDPT-UHFFFAOYSA-N	-1	0	317.748	2.701	20	50		DFGDRM
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000830137733	604224877	/nfs/dbraw/zinc/22/48/77/604224877.db2.gz	GLBRJQIYMKSRSG-WDEREUQCSA-N	-1	0	322.317	2.553	20	50		DFGDRM
O=C([O-])NC1(CC(=O)NNc2ccc(Cl)c(F)c2)CCC1	ZINC000832206145	604227447	/nfs/dbraw/zinc/22/74/47/604227447.db2.gz	DEFLQFXFTKLYBO-UHFFFAOYSA-N	-1	0	315.732	2.503	20	50		DFGDRM
CC(C)(C)[C@H](NC(=O)NNC(=O)[O-])c1ccc(F)cc1F	ZINC000823760158	604282068	/nfs/dbraw/zinc/28/20/68/604282068.db2.gz	PDPQNUJXDHXBRU-SNVBAGLBSA-N	-1	0	301.293	2.534	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2cccc(F)c2F)cc1F	ZINC000833148917	604293894	/nfs/dbraw/zinc/29/38/94/604293894.db2.gz	ULEZNMVIBKCJDG-UHFFFAOYSA-N	-1	0	310.231	2.559	20	50		DFGDRM
CN(N=Cc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-]	ZINC000828434931	604419707	/nfs/dbraw/zinc/41/97/07/604419707.db2.gz	REPIPVPTRWQQHV-UHFFFAOYSA-N	-1	0	300.240	2.536	20	50		DFGDRM
CC(=NNC(=O)Cc1ccsc1)c1ccc(C(=O)[O-])cc1	ZINC000734301851	604640016	/nfs/dbraw/zinc/64/00/16/604640016.db2.gz	RZYUGIPHEXWBPP-UHFFFAOYSA-N	-1	0	302.355	2.529	20	50		DFGDRM
CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)C(C)C	ZINC000833647345	605072445	/nfs/dbraw/zinc/07/24/45/605072445.db2.gz	CJSUDRHRUPSRDI-LBPRGKRZSA-N	-1	0	308.378	2.909	20	50		DFGDRM
CC(C)(C)CC(=O)NN[C@H](C(=O)[O-])c1c(F)cccc1Cl	ZINC000833422393	605358114	/nfs/dbraw/zinc/35/81/14/605358114.db2.gz	FVKPDWOYWSSIRK-LBPRGKRZSA-N	-1	0	316.760	2.662	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1CCC(=O)NNc1cccc(Cl)c1	ZINC000833997880	605399971	/nfs/dbraw/zinc/39/99/71/605399971.db2.gz	JGASEOGXGZQYQX-LBPRGKRZSA-N	-1	0	311.769	2.706	20	50		DFGDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1ccccn1	ZINC000824759226	605473901	/nfs/dbraw/zinc/47/39/01/605473901.db2.gz	JPTVKMQAQMMLCA-ZDUSSCGKSA-N	-1	0	318.377	2.500	20	50		DFGDRM
O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NNc1ccccc1	ZINC000832356059	605527718	/nfs/dbraw/zinc/52/77/18/605527718.db2.gz	AQSQCCFTKTWEDJ-ZIAGYGMSSA-N	-1	0	305.378	2.736	20	50		DFGDRM
CC(C[C@H](C)NC(=O)[O-])=NNC(=O)CCCc1ccccc1	ZINC000833800453	605624234	/nfs/dbraw/zinc/62/42/34/605624234.db2.gz	BYTRISHLPHQWKX-LBPRGKRZSA-N	-1	0	305.378	2.548	20	50		DFGDRM
C[C@H]1C[C@@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC(C)(C)C1	ZINC000833588559	605720393	/nfs/dbraw/zinc/72/03/93/605720393.db2.gz	GCLGKULXISNPKO-CMPLNLGQSA-N	-1	0	305.378	2.685	20	50		DFGDRM
C=CCOc1ccccc1C(=O)NNc1ccccc1C(=O)[O-]	ZINC000833378209	605720971	/nfs/dbraw/zinc/72/09/71/605720971.db2.gz	BBMWIJSJDKODFU-UHFFFAOYSA-N	-1	0	312.325	2.707	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1[C@@H]1CCCC1=NNC(=O)c1ccccc1	ZINC000834044623	605721278	/nfs/dbraw/zinc/72/12/78/605721278.db2.gz	GXGLXOBCMVHSNT-HIFRSBDPSA-N	-1	0	315.373	2.715	20	50		DFGDRM
C[C@H]1CCC[C@H](CNC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC000833608054	605741158	/nfs/dbraw/zinc/74/11/58/605741158.db2.gz	LOLOQQRZQSOGCR-RYUDHWBXSA-N	-1	0	305.378	2.837	20	50		DFGDRM
N#CC1=CCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1	ZINC000833963694	605786822	/nfs/dbraw/zinc/78/68/22/605786822.db2.gz	SFRPHLYEUKINIF-UHFFFAOYSA-N	-1	0	305.721	2.726	20	50		DFGDRM
O=C([O-])N[C@H]1CCCC1=NNC(=O)c1cccc2ccccc21	ZINC000834169002	605860779	/nfs/dbraw/zinc/86/07/79/605860779.db2.gz	KNNRGBVWHXDQLI-AWEZNQCLSA-N	-1	0	311.341	2.746	20	50		DFGDRM
COCc1c2ccccc2oc1C(=O)[N-]NC(=O)CCC(C)C	ZINC000066574374	398385101	/nfs/dbraw/zinc/38/51/01/398385101.db2.gz	WCHAUTWUJKKSLN-UHFFFAOYSA-N	-1	0	318.373	2.776	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)o1	ZINC000084161253	398395114	/nfs/dbraw/zinc/39/51/14/398395114.db2.gz	SCDSQLMYLJHTPQ-OLZOCXBDSA-N	-1	0	305.378	2.501	20	50		DFGDRM
CC(C)c1cc(C(=O)[N-]NC(=O)CCCc2ccccc2)on1	ZINC000070843037	398601113	/nfs/dbraw/zinc/60/11/13/398601113.db2.gz	HEBOOUVMKVJULX-UHFFFAOYSA-N	-1	0	315.373	2.582	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1Cl	ZINC000490811130	267008237	/nfs/dbraw/zinc/00/82/37/267008237.db2.gz	DFXYMWCYLHQDHX-GHXNOFRVSA-N	-1	0	306.749	2.861	20	50		DFGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1Cl)C(=O)N1CCCC1	ZINC000490689939	268143163	/nfs/dbraw/zinc/14/31/63/268143163.db2.gz	BYZKRGKNQNVWGI-FLIBITNWSA-N	-1	0	304.733	2.568	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)CCCc2ccccc2)cc1	ZINC000727685300	599743767	/nfs/dbraw/zinc/74/37/67/599743767.db2.gz	HXKVCXDJRRMQSZ-UHFFFAOYSA-N	-1	0	310.353	2.858	20	50		DFGDRM
C=CCc1cc([N+](=O)[O-])ccc1OC(=O)CCCN(C)C(=O)[O-]	ZINC000736114138	599839623	/nfs/dbraw/zinc/83/96/23/599839623.db2.gz	HWNSSDSIYJYKTO-UHFFFAOYSA-N	-1	0	322.317	2.619	20	50		DFGDRM
O=C([O-])[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000739453101	600418812	/nfs/dbraw/zinc/41/88/12/600418812.db2.gz	CWMVOZCJHXLWFI-CYBMUJFWSA-N	-1	0	322.723	2.539	20	50		DFGDRM
O=C([O-])CCCCCCNC(=O)NNc1cccc(F)c1F	ZINC000833224872	600725364	/nfs/dbraw/zinc/72/53/64/600725364.db2.gz	DAYFXWLRWYYEFA-UHFFFAOYSA-N	-1	0	315.320	2.626	20	50		DFGDRM
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccco1	ZINC000736223428	600842166	/nfs/dbraw/zinc/84/21/66/600842166.db2.gz	JVAOALKHJOYNOM-MRVPVSSYSA-N	-1	0	305.242	2.595	20	50		DFGDRM
C[C@@H]1CC[C@@H](CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1	ZINC000828226650	600973252	/nfs/dbraw/zinc/97/32/52/600973252.db2.gz	WFIFNVRLJKYGRG-ZJUUUORDSA-N	-1	0	323.301	2.546	20	50		DFGDRM
C[C@@H]1CC[C@H](CCC(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1	ZINC000828226647	600973288	/nfs/dbraw/zinc/97/32/88/600973288.db2.gz	WFIFNVRLJKYGRG-NXEZZACHSA-N	-1	0	323.301	2.546	20	50		DFGDRM
C[C@H]1CC/C(=C\C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1	ZINC000828206756	601505438	/nfs/dbraw/zinc/50/54/38/601505438.db2.gz	CFRMHPPYTZJUAJ-HZAKCSEPSA-N	-1	0	305.286	2.945	20	50		DFGDRM
COCCCC(=NNC(=O)[O-])c1ccc(Br)cc1	ZINC000737753160	601975520	/nfs/dbraw/zinc/97/55/20/601975520.db2.gz	CIIHPFFLYHIENN-UHFFFAOYSA-N	-1	0	315.167	2.847	20	50		DFGDRM
CCCCOC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)[O-])cc1	ZINC000285469307	602095549	/nfs/dbraw/zinc/09/55/49/602095549.db2.gz	RGNJIUUOQKYPCT-XTCQQWIJSA-N	-1	0	317.341	2.789	20	50		DFGDRM
CN(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1	ZINC000739720974	602546060	/nfs/dbraw/zinc/54/60/60/602546060.db2.gz	PGSRGVTYLVEVAM-UHFFFAOYSA-N	-1	0	303.293	2.697	20	50		DFGDRM
O=C([O-])NC[C@@H](NC(=O)NNc1ccccc1)C1CCCCC1	ZINC000740608918	603363453	/nfs/dbraw/zinc/36/34/53/603363453.db2.gz	TXDRABRPZLLPDM-CQSZACIVSA-N	-1	0	320.393	2.529	20	50		DFGDRM
O=C([O-])NCC1(C(=O)NNc2cccc(Cl)c2)CCCC1	ZINC000832443177	603623926	/nfs/dbraw/zinc/62/39/26/603623926.db2.gz	RUJFKRXYYWQCJV-UHFFFAOYSA-N	-1	0	311.769	2.611	20	50		DFGDRM
CC(C)(C)OC(=O)N1CCc2cccc(C=NNC(=O)[O-])c21	ZINC000823809657	603817853	/nfs/dbraw/zinc/81/78/53/603817853.db2.gz	OTOOFYIDMLYEAO-UHFFFAOYSA-N	-1	0	305.334	2.586	20	50		DFGDRM
C=CCC(CC=C)C(=O)NNc1ccc(C(=O)[O-])cc1OC	ZINC000833369825	604647038	/nfs/dbraw/zinc/64/70/38/604647038.db2.gz	FVWUEUALENGJFA-UHFFFAOYSA-N	-1	0	304.346	2.605	20	50		DFGDRM
CCc1ccc(C(=O)NNc2ccc(C(=O)[O-])cc2OC)cc1	ZINC000833669271	604647937	/nfs/dbraw/zinc/64/79/37/604647937.db2.gz	DFBYDQCBDJCPOY-UHFFFAOYSA-N	-1	0	314.341	2.713	20	50		DFGDRM
C[C@@H](CC(=O)NNc1ccc(F)cc1)C1CCN(C(=O)[O-])CC1	ZINC000824680364	604679891	/nfs/dbraw/zinc/67/98/91/604679891.db2.gz	UUVRSBQCWTVVIF-NSHDSACASA-N	-1	0	323.368	2.685	20	50		DFGDRM
O=C([O-])c1cccc(CC(=O)NNc2ccc(Cl)cc2)c1	ZINC000833765542	604885240	/nfs/dbraw/zinc/88/52/40/604885240.db2.gz	CTGUQNWERXDYPV-UHFFFAOYSA-N	-1	0	304.733	2.724	20	50		DFGDRM
CC(C)C[C@H](NC(=O)[O-])C(=O)NNc1cccc2c1CCCC2	ZINC000833481126	604939088	/nfs/dbraw/zinc/93/90/88/604939088.db2.gz	UHYJXUCZCIFYTR-HNNXBMFYSA-N	-1	0	319.405	2.691	20	50		DFGDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)c1ccc(Cl)cc1	ZINC000833405291	605037767	/nfs/dbraw/zinc/03/77/67/605037767.db2.gz	CTQOTFMKUKTKQU-SNVBAGLBSA-N	-1	0	319.748	2.551	20	50		DFGDRM
COc1ccc(NNC(=O)c2cccc(C(=O)[O-])c2)cc1Cl	ZINC000820845777	605243267	/nfs/dbraw/zinc/24/32/67/605243267.db2.gz	CCPFLUPWWHURAS-UHFFFAOYSA-N	-1	0	320.732	2.804	20	50		DFGDRM
CC(C)(C(=O)NNc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000833411838	605281733	/nfs/dbraw/zinc/28/17/33/605281733.db2.gz	RRFRZZAZGAFXBE-UHFFFAOYSA-N	-1	0	316.332	2.945	20	50		DFGDRM
CC(C[C@H]1CCCCCN1C(=O)[O-])=NNC(=O)CC(F)(F)F	ZINC000824759159	605474590	/nfs/dbraw/zinc/47/45/90/605474590.db2.gz	ITSFARBOOVJJCZ-SNVBAGLBSA-N	-1	0	323.315	2.744	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1CCC(=O)NNc1ccc(Cl)cc1	ZINC000833998568	605570206	/nfs/dbraw/zinc/57/02/06/605570206.db2.gz	REVYEDXZGJVLFU-LBPRGKRZSA-N	-1	0	311.769	2.706	20	50		DFGDRM
C[C@H](C=NNC(=O)NCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1	ZINC000833515619	605585271	/nfs/dbraw/zinc/58/52/71/605585271.db2.gz	KFQQCXQEKHKIJE-LBPRGKRZSA-N	-1	0	319.405	2.532	20	50		DFGDRM
N#CC(C#N)=CN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1	ZINC000833961091	605621473	/nfs/dbraw/zinc/62/14/73/605621473.db2.gz	QEDXBNOLFTZZFR-INIZCTEOSA-N	-1	0	306.325	2.669	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1	ZINC000834250665	605681965	/nfs/dbraw/zinc/68/19/65/605681965.db2.gz	MAALNMONJIQKNL-SNVBAGLBSA-N	-1	0	317.267	2.638	20	50		DFGDRM
O=C([O-])N[C@@H](CC(=O)NNc1ccccc1F)c1ccccc1	ZINC000834125534	605717466	/nfs/dbraw/zinc/71/74/66/605717466.db2.gz	GNAKLKYXLQYHFC-AWEZNQCLSA-N	-1	0	317.320	2.668	20	50		DFGDRM
CCCN([N-]C(=O)c1ncc(C#N)cc1C)C(=O)OC(C)(C)C	ZINC000495819836	267017161	/nfs/dbraw/zinc/01/71/61/267017161.db2.gz	PKGXCEBPTMHZSP-UHFFFAOYSA-N	-1	0	318.377	2.554	20	50		DFGDRM
CCCN([N-]C(=O)c1cscc1C#N)C(=O)OC(C)(C)C	ZINC000495693362	267017282	/nfs/dbraw/zinc/01/72/82/267017282.db2.gz	ZQSYNYKXURALJZ-UHFFFAOYSA-N	-1	0	309.391	2.912	20	50		DFGDRM
CCCn1c(C)cc(/C=C(/C#N)C(=O)[N-]OCC2CC2)c1C	ZINC000491128705	267046806	/nfs/dbraw/zinc/04/68/06/267046806.db2.gz	DXOVCBHSOZAGSC-SXGWCWSVSA-N	-1	0	301.390	2.880	20	50		DFGDRM
CCOc1ccc(/C=C(\C#N)C(=O)[N-]OCC(F)(F)F)cc1	ZINC000490724882	267161292	/nfs/dbraw/zinc/16/12/92/267161292.db2.gz	CANVGGXTAVUVOO-YRNVUSSQSA-N	-1	0	314.263	2.602	20	50		DFGDRM
CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000490694632	267320496	/nfs/dbraw/zinc/32/04/96/267320496.db2.gz	LPAFZMKWRRXVEV-BOPFTXTBSA-N	-1	0	320.348	2.950	20	50		DFGDRM
Cn1cc(C(=O)NN=C2CCC(C(=O)[O-])CC2)c2ccccc21	ZINC000814776871	598096134	/nfs/dbraw/zinc/09/61/34/598096134.db2.gz	GZUVBYLQONQYSY-UHFFFAOYSA-N	-1	0	313.357	2.539	20	50		DFGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)c1nnc2n1CCCCC2	ZINC000158292874	598200680	/nfs/dbraw/zinc/20/06/80/598200680.db2.gz	YFAKSQWMLHZFRM-UVTDQMKNSA-N	-1	0	308.341	2.767	20	50		DFGDRM
O=C([O-])[C@H]1C[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	ZINC000739550259	600057840	/nfs/dbraw/zinc/05/78/40/600057840.db2.gz	XSRBZUWHFJHARG-RITPCOANSA-N	-1	0	323.563	2.811	20	50		DFGDRM
O=C([O-])c1ccc(CCC(=O)NNc2ccc(Cl)nc2)cc1	ZINC000833101661	600814172	/nfs/dbraw/zinc/81/41/72/600814172.db2.gz	AQBKTJKJZJUSFV-UHFFFAOYSA-N	-1	0	319.748	2.509	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccnc(Oc2ccccc2Cl)c1	ZINC000833280748	601076470	/nfs/dbraw/zinc/07/64/70/601076470.db2.gz	PVUSKLFQXBJTLU-UHFFFAOYSA-N	-1	0	322.708	2.831	20	50		DFGDRM
O=C([O-])[C@@H]1CCC[C@@H](C(=O)NN=c2[nH]ccc3sccc32)C1	ZINC000833185417	601210967	/nfs/dbraw/zinc/21/09/67/601210967.db2.gz	WRICPOOWRAVVKU-NXEZZACHSA-N	-1	0	319.386	2.630	20	50		DFGDRM
CCOC(=O)C(C#N)=CNc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000829818319	601294387	/nfs/dbraw/zinc/29/43/87/601294387.db2.gz	UZDSXOPJIFDEQJ-BQYQJAHWSA-N	-1	0	323.374	2.521	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1	ZINC000747646221	601337619	/nfs/dbraw/zinc/33/76/19/601337619.db2.gz	NJHNNHPUDINZOS-UHFFFAOYSA-N	-1	0	320.707	2.941	20	50		DFGDRM
O=C([O-])c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)o1	ZINC000833312870	601338347	/nfs/dbraw/zinc/33/83/47/601338347.db2.gz	YPMARWGYTAPSPR-UHFFFAOYSA-N	-1	0	310.668	2.534	20	50		DFGDRM
O=C([O-])c1occc1C=NNC(=O)c1ccc(Cl)cc1F	ZINC000833149573	601338386	/nfs/dbraw/zinc/33/83/86/601338386.db2.gz	UPIYMQPUTQVVMC-UHFFFAOYSA-N	-1	0	310.668	2.534	20	50		DFGDRM
CCOc1ccc(/C=C(/C#N)C(=O)OC/C=C(/C)C(=O)[O-])cc1	ZINC000830064736	601411172	/nfs/dbraw/zinc/41/11/72/601411172.db2.gz	VLVUYXZWZDQUOG-HBMMGNRNSA-N	-1	0	315.325	2.566	20	50		DFGDRM
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC(CC(=O)[O-])CC1	ZINC000833062717	601413925	/nfs/dbraw/zinc/41/39/25/601413925.db2.gz	PIEPOKYQRDLCLZ-WCSRMQSCSA-N	-1	0	315.329	2.646	20	50		DFGDRM
C[C@@H](Oc1ccc(C=NNC(=O)CC2CCCC2)cc1)C(=O)[O-]	ZINC000794905719	602074646	/nfs/dbraw/zinc/07/46/46/602074646.db2.gz	KMHSJVIAWQROSO-GFCCVEGCSA-N	-1	0	318.373	2.569	20	50		DFGDRM
C[C@@H](CC(=O)[O-])C(=O)NN=C(c1ccccc1)c1ccccc1	ZINC000827304696	602085639	/nfs/dbraw/zinc/08/56/39/602085639.db2.gz	ZFJZEGSVNNFUGX-ZDUSSCGKSA-N	-1	0	310.353	2.666	20	50		DFGDRM
O=C([O-])NNC(=O)NCc1ccccc1Sc1ccccc1	ZINC000740683953	602564377	/nfs/dbraw/zinc/56/43/77/602564377.db2.gz	PKDTUQWCLPMFPI-UHFFFAOYSA-N	-1	0	317.370	2.820	20	50		DFGDRM
C[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)NC(=O)[O-]	ZINC000824671015	603286023	/nfs/dbraw/zinc/28/60/23/603286023.db2.gz	DENZNRQTWUGNTI-CYBMUJFWSA-N	-1	0	313.357	2.902	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000826837102	603808361	/nfs/dbraw/zinc/80/83/61/603808361.db2.gz	VLZXIIJKZDPUIH-GXDHUFHOSA-N	-1	0	313.357	2.550	20	50		DFGDRM
CC(C)OC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000824387215	603808538	/nfs/dbraw/zinc/80/85/38/603808538.db2.gz	BZGKZACYKVWEPP-JYRVWZFOSA-N	-1	0	300.314	2.586	20	50		DFGDRM
CC(C)CCC(=O)NN=Cc1cccc2c1N(C(=O)[O-])CC2	ZINC000824230856	603822205	/nfs/dbraw/zinc/82/22/05/603822205.db2.gz	AIOMZVAWOMKMGY-UHFFFAOYSA-N	-1	0	303.362	2.613	20	50		DFGDRM
COc1cc(F)cc(NNC(=O)c2cccc(NC(=O)[O-])c2)c1	ZINC000829142328	604316245	/nfs/dbraw/zinc/31/62/45/604316245.db2.gz	PWUKGTPIWZDBHT-UHFFFAOYSA-N	-1	0	319.292	2.681	20	50		DFGDRM
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)oc1C	ZINC000832869662	604390281	/nfs/dbraw/zinc/39/02/81/604390281.db2.gz	ITCOXLCMCFICOS-UHFFFAOYSA-N	-1	0	305.242	2.722	20	50		DFGDRM
O=C([O-])N1CCC[C@H]1C(=O)NNc1c(Cl)cccc1Cl	ZINC000831742437	604434093	/nfs/dbraw/zinc/43/40/93/604434093.db2.gz	FWQOKOMKCFSRAQ-VIFPVBQESA-N	-1	0	318.160	2.579	20	50		DFGDRM
CC(=NNC(=O)c1ccccc1O)[C@H](C)CCCCC(=O)[O-]	ZINC000814694925	604632979	/nfs/dbraw/zinc/63/29/79/604632979.db2.gz	DZICVZROLZVPDE-LLVKDONJSA-N	-1	0	306.362	2.779	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2ccc(F)cc2F)cc1F	ZINC000833148069	604997988	/nfs/dbraw/zinc/99/79/88/604997988.db2.gz	AJWPKBJNLFSXNJ-UHFFFAOYSA-N	-1	0	310.231	2.559	20	50		DFGDRM
CCC[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1OC)C(C)C	ZINC000833647344	605072261	/nfs/dbraw/zinc/07/22/61/605072261.db2.gz	CJSUDRHRUPSRDI-GFCCVEGCSA-N	-1	0	308.378	2.909	20	50		DFGDRM
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ccccc2C(=O)[O-])CCO1	ZINC000833469766	605128992	/nfs/dbraw/zinc/12/89/92/605128992.db2.gz	CGHMVDGYZAHEGF-DOMZBBRYSA-N	-1	0	320.389	2.669	20	50		DFGDRM
N#C/C=C(\c1ccccc1)N1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1	ZINC000833968950	605457582	/nfs/dbraw/zinc/45/75/82/605457582.db2.gz	PIAWQIVELDARPO-GXAYHQGOSA-N	-1	0	311.385	2.919	20	50		DFGDRM
O=C([O-])N[C@@H](C(=O)NNc1ccccc1)c1cccc(Cl)c1	ZINC000834123502	605714723	/nfs/dbraw/zinc/71/47/23/605714723.db2.gz	YIDOXOKRABMOOF-CYBMUJFWSA-N	-1	0	319.748	2.792	20	50		DFGDRM
Cc1cc(F)c(C(=O)NNc2cccc(C(=O)[O-])c2)cc1F	ZINC000833744723	605733944	/nfs/dbraw/zinc/73/39/44/605733944.db2.gz	NGOXEPMKRXIZRU-UHFFFAOYSA-N	-1	0	306.268	2.728	20	50		DFGDRM
COc1ccc(/C=C\C(=O)NNc2cccc(C(=O)[O-])c2)cc1	ZINC000833732181	605774797	/nfs/dbraw/zinc/77/47/97/605774797.db2.gz	HWHBYISHVONZDP-YFHOEESVSA-N	-1	0	312.325	2.550	20	50		DFGDRM
CC(C)N(CCC(=O)[O-])C(=O)[C@H](Br)C(C)(C)C	ZINC000833496371	605778849	/nfs/dbraw/zinc/77/88/49/605778849.db2.gz	BFIKIYWCXDWBSQ-JTQLQIEISA-N	-1	0	308.216	2.508	20	50		DFGDRM
O=C([O-])N1CCC[C@@H](C=NNC(=O)CCCc2cccs2)C1	ZINC000833990764	606053240	/nfs/dbraw/zinc/05/32/40/606053240.db2.gz	BAXXLTZVAYUNMB-LBPRGKRZSA-N	-1	0	323.418	2.563	20	50		DFGDRM
O=C([O-])Nc1ccccc1CC(=O)NNc1cccnc1Cl	ZINC000834271929	606098205	/nfs/dbraw/zinc/09/82/05/606098205.db2.gz	FRAIOXIBKIVVOU-UHFFFAOYSA-N	-1	0	320.736	2.511	20	50		DFGDRM
Cc1nc(C(C)(C)C)sc1C(=O)[N-]NC(=O)CCC(C)C	ZINC000066572514	398385409	/nfs/dbraw/zinc/38/54/09/398385409.db2.gz	WNAMPSXHFGHFFS-UHFFFAOYSA-N	-1	0	311.451	2.946	20	50		DFGDRM
Cc1ccc(C(=O)[N-]NC(=O)N[C@@H](c2ccccc2)C(C)C)o1	ZINC000084141017	398393715	/nfs/dbraw/zinc/39/37/15/398393715.db2.gz	OSNVECFGFIXOCI-OAHLLOKOSA-N	-1	0	315.373	2.929	20	50		DFGDRM
CCCCCNC(=O)/C(C#N)=C/c1cc([O-])ccc1[N+](=O)[O-]	ZINC000157259584	269997760	/nfs/dbraw/zinc/99/77/60/269997760.db2.gz	HXYRWZSYXVGPPA-XYOKQWHBSA-N	-1	0	303.318	2.514	20	50		DFGDRM
CCCCNC(=O)/C(C#N)=C/c1cc(C(=O)[O-])c(C)cc1C	ZINC000490694500	267007533	/nfs/dbraw/zinc/00/75/33/267007533.db2.gz	LEALODZXPQVZHT-RIYZIHGNSA-N	-1	0	300.358	2.825	20	50		DFGDRM
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](CO)CC(C)(C)C	ZINC000491012586	267268469	/nfs/dbraw/zinc/26/84/69/267268469.db2.gz	ROPIFDRCQQQZDU-MZLJFPOFSA-N	-1	0	316.401	2.555	20	50		DFGDRM
O=C([O-])c1ccc(CNC(=O)NNc2ccccc2Cl)cc1	ZINC000819195011	597299197	/nfs/dbraw/zinc/29/91/97/597299197.db2.gz	SOMMSUMZSNSZGO-UHFFFAOYSA-N	-1	0	319.748	2.865	20	50		DFGDRM
N#C/C(=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-]	ZINC000743248562	600994690	/nfs/dbraw/zinc/99/46/90/600994690.db2.gz	XZHMYCHHMJXSEL-VKUYVZBCSA-N	-1	0	307.733	2.889	20	50		DFGDRM
O=C([O-])c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	ZINC000821544147	601122691	/nfs/dbraw/zinc/12/26/91/601122691.db2.gz	GPGVKJDGYYXMDE-UHFFFAOYSA-N	-1	0	310.231	2.559	20	50		DFGDRM
Cc1cc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-]	ZINC000832899450	601148222	/nfs/dbraw/zinc/14/82/22/601148222.db2.gz	OXBIUXQJRCDBFF-QWRGUYRKSA-N	-1	0	307.302	2.700	20	50		DFGDRM
O=C([O-])c1ccccc1C=NNC(=O)c1cc2ccccc2o1	ZINC000749818165	601377922	/nfs/dbraw/zinc/37/79/22/601377922.db2.gz	RUAGRVSWECLXRR-UHFFFAOYSA-N	-1	0	308.293	2.895	20	50		DFGDRM
CCc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c(C(=O)[O-])c2)cc1	ZINC000830253559	601789177	/nfs/dbraw/zinc/78/91/77/601789177.db2.gz	FYSOQWIIOXKUCW-NTUHNPAUSA-N	-1	0	309.325	2.821	20	50		DFGDRM
O=C([O-])c1cc(C=NNC(=O)Cc2cccc3ccccc32)c[nH]1	ZINC000814791506	601796599	/nfs/dbraw/zinc/79/65/99/601796599.db2.gz	IJMIZQQFYSDYSY-UHFFFAOYSA-N	-1	0	321.336	2.559	20	50		DFGDRM
C[C@H](NC(=S)NNC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000736659991	602232981	/nfs/dbraw/zinc/23/29/81/602232981.db2.gz	BNEQOPUMVRBBRY-YFKPBYRVSA-N	-1	0	308.190	2.701	20	50		DFGDRM
O=C([O-])NNC(=O)N[C@H](Cc1ccccc1)c1cccs1	ZINC000740684155	602976761	/nfs/dbraw/zinc/97/67/61/602976761.db2.gz	VGGTZIMGMJHSGV-LLVKDONJSA-N	-1	0	305.359	2.514	20	50		DFGDRM
O=C([O-])Nc1ccc(C=NNC(=O)c2cccc(Cl)c2)cn1	ZINC000832840026	603485214	/nfs/dbraw/zinc/48/52/14/603485214.db2.gz	CYPWHDMHQNPAPE-UHFFFAOYSA-N	-1	0	318.720	2.589	20	50		DFGDRM
CN(N=Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-]	ZINC000828435109	603630355	/nfs/dbraw/zinc/63/03/55/603630355.db2.gz	XXQROZXLNYKJLR-GFCCVEGCSA-N	-1	0	312.753	2.842	20	50		DFGDRM
Cc1cccc(C(NC(=O)NNC(=O)[O-])c2cccc(C)c2)c1	ZINC000830472630	603871049	/nfs/dbraw/zinc/87/10/49/603871049.db2.gz	RFVTUUYHQGLXIZ-UHFFFAOYSA-N	-1	0	313.357	2.875	20	50		DFGDRM
CCC[C@@](C)(NC(=O)[O-])C(=O)NNc1c(C)cc(C)cc1C	ZINC000826720986	603998490	/nfs/dbraw/zinc/99/84/90/603998490.db2.gz	OLHWPKORTWPGIX-MRXNPFEDSA-N	-1	0	307.394	2.881	20	50		DFGDRM
CC(=NNC(=O)c1ccccc1C)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823534469	604088703	/nfs/dbraw/zinc/08/87/03/604088703.db2.gz	XYRAHPBNXNKTIE-AWEZNQCLSA-N	-1	0	303.362	2.633	20	50		DFGDRM
O=C([O-])Nc1cc(C(=O)NNc2cccnc2Cl)ccc1F	ZINC000832821116	604106416	/nfs/dbraw/zinc/10/64/16/604106416.db2.gz	TYMVKGKVDPKOPO-UHFFFAOYSA-N	-1	0	324.699	2.721	20	50		DFGDRM
Cc1cccc(NNC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1	ZINC000830521081	604578856	/nfs/dbraw/zinc/57/88/56/604578856.db2.gz	BMNHBYNWBSPNHM-ZIAGYGMSSA-N	-1	0	319.405	2.854	20	50		DFGDRM
C[C@H](C(=O)[O-])n1cccc1C=NNC(=O)CCC1CCCCC1	ZINC000833407220	605040066	/nfs/dbraw/zinc/04/00/66/605040066.db2.gz	LUZIJLVEYFQKCE-CYBMUJFWSA-N	-1	0	319.405	2.944	20	50		DFGDRM
CC(C)CC(=O)NN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl	ZINC000833473133	605062153	/nfs/dbraw/zinc/06/21/53/605062153.db2.gz	HHQKVTKFRPMGCN-LBPRGKRZSA-N	-1	0	319.188	2.786	20	50		DFGDRM
CC(=NNC(=O)CC1CCCC1)c1ccccc1OCC(=O)[O-]	ZINC000833386332	605326793	/nfs/dbraw/zinc/32/67/93/605326793.db2.gz	NINMZQZFUONVTR-UHFFFAOYSA-N	-1	0	318.373	2.571	20	50		DFGDRM
O=C([O-])NCC(=O)NN=Cc1c2ccccc2cc2ccccc21	ZINC000834199813	605383404	/nfs/dbraw/zinc/38/34/04/605383404.db2.gz	OHNINKOICOGKRT-UHFFFAOYSA-N	-1	0	321.336	2.711	20	50		DFGDRM
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(Cl)cc1	ZINC000824758879	605456896	/nfs/dbraw/zinc/45/68/96/605456896.db2.gz	DQVHAJYBEWOMSW-CYBMUJFWSA-N	-1	0	323.780	2.978	20	50		DFGDRM
CC(C[C@@H]1CCCCCN1C(=O)[O-])=NNC(=O)c1cccnc1	ZINC000824759517	605473980	/nfs/dbraw/zinc/47/39/80/605473980.db2.gz	NESZOXZYWXTSOO-AWEZNQCLSA-N	-1	0	318.377	2.500	20	50		DFGDRM
Cc1ccc(NC(=O)[O-])cc1NC(=O)NNc1ccccn1	ZINC000833905677	605619951	/nfs/dbraw/zinc/61/99/51/605619951.db2.gz	AIMZMTJYRWGXFE-UHFFFAOYSA-N	-1	0	301.306	2.629	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccccc1Oc1cccc(F)c1	ZINC000834250368	605677093	/nfs/dbraw/zinc/67/70/93/605677093.db2.gz	HZSNISQOPARFRG-UHFFFAOYSA-N	-1	0	305.265	2.922	20	50		DFGDRM
O=C([O-])NNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1	ZINC000834250194	605677411	/nfs/dbraw/zinc/67/74/11/605677411.db2.gz	FADFKOCLKDXXKA-UHFFFAOYSA-N	-1	0	312.757	2.634	20	50		DFGDRM
COc1ccc(C)cc1NC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833731297	605706047	/nfs/dbraw/zinc/70/60/47/605706047.db2.gz	VBDBDGPWPFHCQW-UHFFFAOYSA-N	-1	0	315.329	2.850	20	50		DFGDRM
O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)NNc1cccc(F)c1)C2	ZINC000833989139	605716915	/nfs/dbraw/zinc/71/69/15/605716915.db2.gz	ZDRAOPUYBRBZMS-FTNCPSPGSA-N	-1	0	321.352	2.580	20	50		DFGDRM
CC(=O)[C@@H](C)CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833387450	605721026	/nfs/dbraw/zinc/72/10/26/605721026.db2.gz	CSQDQUDEAVMMTA-NSHDSACASA-N	-1	0	306.362	2.613	20	50		DFGDRM
CC(=O)[C@H](C)CCCCC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833387449	605721090	/nfs/dbraw/zinc/72/10/90/605721090.db2.gz	CSQDQUDEAVMMTA-LLVKDONJSA-N	-1	0	306.362	2.613	20	50		DFGDRM
O=C([O-])N[C@H](C(=O)NNc1ccccc1Cl)c1ccccc1	ZINC000834256733	605723460	/nfs/dbraw/zinc/72/34/60/605723460.db2.gz	VLBVDBFLLFXGNQ-ZDUSSCGKSA-N	-1	0	319.748	2.792	20	50		DFGDRM
Cc1cccc(C2(C(=O)NNc3ccccc3C(=O)[O-])CC2)c1	ZINC000833752826	605724749	/nfs/dbraw/zinc/72/47/49/605724749.db2.gz	ZOTYCLBWSJJEQV-UHFFFAOYSA-N	-1	0	310.353	2.868	20	50		DFGDRM
CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccc(C(C)(C)C)cc1	ZINC000833469189	605739324	/nfs/dbraw/zinc/73/93/24/605739324.db2.gz	UPDCMWCNBCPCAR-ZDUSSCGKSA-N	-1	0	307.394	2.719	20	50		DFGDRM
C[C@@H]1CC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)[C@H](C)C1	ZINC000833603434	605744654	/nfs/dbraw/zinc/74/46/54/605744654.db2.gz	LELJXEVSVSBZKO-JTNHKYCSSA-N	-1	0	305.378	2.836	20	50		DFGDRM
O=C([O-])NC1CCC(C(=O)NNc2ccc(Cl)cc2)CC1	ZINC000834168097	605763911	/nfs/dbraw/zinc/76/39/11/605763911.db2.gz	FVGRCEWQFHVFQR-UHFFFAOYSA-N	-1	0	311.769	2.610	20	50		DFGDRM
O=C([O-])Nc1cccc(CC(=O)NNc2c(F)cccc2F)c1	ZINC000834266567	605834258	/nfs/dbraw/zinc/83/42/58/605834258.db2.gz	GOVJHQVPXAILSF-UHFFFAOYSA-N	-1	0	321.283	2.741	20	50		DFGDRM
O=C([O-])NCCCCC(=O)NNc1ccccc1C(F)(F)F	ZINC000834234803	605917275	/nfs/dbraw/zinc/91/72/75/605917275.db2.gz	XFQKVJPMGGRKAI-UHFFFAOYSA-N	-1	0	319.283	2.586	20	50		DFGDRM
O=C([O-])N1CCC[C@H](C=NNC(=O)c2cc3ccccc3o2)C1	ZINC000834044238	606053287	/nfs/dbraw/zinc/05/32/87/606053287.db2.gz	BNIBAQRWLRJDAO-LLVKDONJSA-N	-1	0	315.329	2.538	20	50		DFGDRM