smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001595634079	981881707	/nfs/dbraw/zinc/88/17/07/981881707.db2.gz	FVUTZYXADDYFIZ-BRADTZPFSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001589699247	987784950	/nfs/dbraw/zinc/78/49/50/987784950.db2.gz	CMMXJUDNLLEKOX-ICDLMJIXSA-N	-2	3	316.357	2.305	20	50		DEGDHL
CC[C@@H](NC([O-])=NNC(=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000826612734	603466371	/nfs/dbraw/zinc/46/63/71/603466371.db2.gz	BCKJLIZIHYICAR-SCSAIBSYSA-N	-2	3	312.273	2.095	20	50		DEGDHL
CCCN(C(=O)/C(C#N)=C/c1ccc([O-])cc1)[C@H](C)C(=O)[O-]	ZINC001595815063	982663381	/nfs/dbraw/zinc/66/33/81/982663381.db2.gz	XMKMELDUMVYGRV-VSXLWIIGSA-N	-2	3	302.330	2.011	20	50		DEGDHL
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(C)cc1[O-]	ZINC000824760958	605463954	/nfs/dbraw/zinc/46/39/54/605463954.db2.gz	ZOQQLVIONQNJOE-LBPRGKRZSA-N	-2	3	319.361	2.339	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001601045302	970921776	/nfs/dbraw/zinc/92/17/76/970921776.db2.gz	KIDLTXOHPZIIRE-SSUFTNFISA-N	-2	3	314.341	2.155	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)NC1(C(=O)[O-])CCCCC1	ZINC001594602223	956144401	/nfs/dbraw/zinc/14/44/01/956144401.db2.gz	TZKJPUPPDBIQMA-RAXLEYEMSA-N	-2	3	314.341	2.203	20	50		DEGDHL
CCCN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)[C@H](C)C(=O)[O-]	ZINC001595815061	982663784	/nfs/dbraw/zinc/66/37/84/982663784.db2.gz	XMKMELDUMVYGRV-NASPGAHYSA-N	-2	3	302.330	2.011	20	50		DEGDHL
CC(=NNC(=O)c1ccc(C)cc1[O-])[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532148	604087893	/nfs/dbraw/zinc/08/78/93/604087893.db2.gz	HDEPKDYAXHXEGS-ZDUSSCGKSA-N	-2	3	319.361	2.339	20	50		DEGDHL
Cc1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)ccc1C(=O)[O-]	ZINC000821034172	955487282	/nfs/dbraw/zinc/48/72/82/955487282.db2.gz	SWCFETBSVJUVOR-UHFFFAOYSA-N	-2	3	321.724	2.285	20	50		DEGDHL
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001589699242	987785016	/nfs/dbraw/zinc/78/50/16/987785016.db2.gz	CMMXJUDNLLEKOX-BCNIOPEESA-N	-2	3	316.357	2.305	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1occc1C(=O)[O-]	ZINC000833064191	601141750	/nfs/dbraw/zinc/14/17/50/601141750.db2.gz	PKEQHOCNUZUDAF-YRNVUSSQSA-N	-2	3	313.265	2.334	20	50		DEGDHL
O=C([O-])NN=C([O-])N[C@H](CC(F)(F)F)c1ccc(F)cc1	ZINC000834250479	605542245	/nfs/dbraw/zinc/54/22/45/605542245.db2.gz	JJQMPFXAHMITHB-MRVPVSSYSA-N	-2	3	309.219	2.301	20	50		DEGDHL
CC(=O)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)cc1[O-]	ZINC001589277089	985991045	/nfs/dbraw/zinc/99/10/45/985991045.db2.gz	BQKPVVQYGQZKMW-UHFFFAOYSA-N	-2	3	314.297	2.050	20	50		DEGDHL
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc([O-])cc1	ZINC000824759414	605456859	/nfs/dbraw/zinc/45/68/59/605456859.db2.gz	LNNWECBXHKMVGL-LBPRGKRZSA-N	-2	3	305.334	2.030	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001601045882	970921709	/nfs/dbraw/zinc/92/17/09/970921709.db2.gz	LMGUVLZLROGLGQ-WZUFQYTHSA-N	-2	3	309.281	2.031	20	50		DEGDHL
CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001594816006	981949040	/nfs/dbraw/zinc/94/90/40/981949040.db2.gz	YVVWAIQMTZTQSH-IYCSXQJISA-N	-2	3	302.330	2.059	20	50		DEGDHL
CCCN(C(=O)/C(C#N)=C\c1ccc([O-])cc1)[C@@H](C)C(=O)[O-]	ZINC001595815059	982663564	/nfs/dbraw/zinc/66/35/64/982663564.db2.gz	XMKMELDUMVYGRV-KWJWQAOWSA-N	-2	3	302.330	2.011	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])o1	ZINC000833065003	601141646	/nfs/dbraw/zinc/14/16/46/601141646.db2.gz	ZGZLIYCIZXQWHR-YRNVUSSQSA-N	-2	3	313.265	2.334	20	50		DEGDHL
O=C([O-])N[C@H]1CCCCCC1=NNC(=O)c1ccc([O-])cc1	ZINC000834182238	606079226	/nfs/dbraw/zinc/07/92/26/606079226.db2.gz	ISSFDQCQZZTWGU-LBPRGKRZSA-N	-2	3	305.334	2.078	20	50		DEGDHL
CCCN(C(=O)/C(C#N)=C/c1ccc([O-])cc1)[C@@H](C)C(=O)[O-]	ZINC001595815058	982663591	/nfs/dbraw/zinc/66/35/91/982663591.db2.gz	XMKMELDUMVYGRV-GJSJWPQCSA-N	-2	3	302.330	2.011	20	50		DEGDHL
C=C(CCC(=O)[O-])C(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001588630432	983743752	/nfs/dbraw/zinc/74/37/52/983743752.db2.gz	KREOJQRQJVDSGE-UHFFFAOYSA-N	-2	3	318.358	2.156	20	50		DEGDHL
CC(=NNC(=O)c1ccc([O-])cc1)[C@H]1CCCCN1C(=O)[O-]	ZINC000823533731	604085623	/nfs/dbraw/zinc/08/56/23/604085623.db2.gz	UNSWQOAFYVBSIQ-CYBMUJFWSA-N	-2	3	305.334	2.030	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCCCCC(=O)[O-]	ZINC000144288859	958986836	/nfs/dbraw/zinc/98/68/36/958986836.db2.gz	HRAOBLXUDKIRKU-JLHYYAGUSA-N	-2	3	302.330	2.060	20	50		DEGDHL
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001589699250	987785262	/nfs/dbraw/zinc/78/52/62/987785262.db2.gz	CMMXJUDNLLEKOX-UNJUUPHPSA-N	-2	3	316.357	2.305	20	50		DEGDHL
CC(C)N(CCC(=O)[O-])C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001591576078	992789007	/nfs/dbraw/zinc/78/90/07/992789007.db2.gz	YOSWEDQOQPFLSQ-LCYFTJDESA-N	-2	3	302.330	2.011	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001605576232	973844553	/nfs/dbraw/zinc/84/45/53/973844553.db2.gz	KEXHDQSQBUCRKK-KPKJPENVSA-N	-2	3	309.281	2.031	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cncc(C(=O)[O-])c1	ZINC001601045880	970921534	/nfs/dbraw/zinc/92/15/34/970921534.db2.gz	LMGUVLZLROGLGQ-VZUCSPMQSA-N	-2	3	309.281	2.031	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001601045299	970921646	/nfs/dbraw/zinc/92/16/46/970921646.db2.gz	KIDLTXOHPZIIRE-KADHNRKRSA-N	-2	3	314.341	2.155	20	50		DEGDHL
Cc1cc(C)[n-]c(=NNC(=O)Nc2ccc(C(=O)[O-])cc2F)n1	ZINC000820972400	955485757	/nfs/dbraw/zinc/48/57/57/955485757.db2.gz	JKEMQJQKKFLRNT-UHFFFAOYSA-N	-2	3	319.296	2.079	20	50		DEGDHL
CC[C@H](NC([O-])=NNC(=O)[O-])c1nc(C(F)(F)F)cs1	ZINC000826612733	603466665	/nfs/dbraw/zinc/46/66/65/603466665.db2.gz	BCKJLIZIHYICAR-BYPYZUCNSA-N	-2	3	312.273	2.095	20	50		DEGDHL
CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001594816007	981948679	/nfs/dbraw/zinc/94/86/79/981948679.db2.gz	YVVWAIQMTZTQSH-LJEUOOAZSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(C)C[C@H](CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001591143696	991871831	/nfs/dbraw/zinc/87/18/31/991871831.db2.gz	BEACUWVGERNAEO-MAUPQMMJSA-N	-2	3	316.357	2.162	20	50		DEGDHL
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc(C)cc1[O-]	ZINC000824760957	605463582	/nfs/dbraw/zinc/46/35/82/605463582.db2.gz	ZOQQLVIONQNJOE-GFCCVEGCSA-N	-2	3	319.361	2.339	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)NCCCCCC(=O)[O-]	ZINC000212940005	959717159	/nfs/dbraw/zinc/71/71/59/959717159.db2.gz	HRAOBLXUDKIRKU-RAXLEYEMSA-N	-2	3	302.330	2.060	20	50		DEGDHL
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccccc1[O-]	ZINC000824760125	605457416	/nfs/dbraw/zinc/45/74/16/605457416.db2.gz	SEJPCVAISVZBRE-LLVKDONJSA-N	-2	3	305.334	2.030	20	50		DEGDHL
O=C([O-])CCCCC(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001595032768	951382402	/nfs/dbraw/zinc/38/24/02/951382402.db2.gz	UJVDFFAZLAYLIO-UHFFFAOYSA-N	-2	3	320.374	2.380	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccc(C(=O)[O-])o1	ZINC000833065001	601141627	/nfs/dbraw/zinc/14/16/27/601141627.db2.gz	ZGZLIYCIZXQWHR-XFFZJAGNSA-N	-2	3	313.265	2.334	20	50		DEGDHL
CC(=NNC(=O)c1ccccc1[O-])[C@@H]1CCCCN1C(=O)[O-]	ZINC000823532093	604085626	/nfs/dbraw/zinc/08/56/26/604085626.db2.gz	GLABAYHEMMKFRX-LBPRGKRZSA-N	-2	3	305.334	2.030	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001594601684	956137760	/nfs/dbraw/zinc/13/77/60/956137760.db2.gz	PROATPDEGGLOKM-UKTHLTGXSA-N	-2	3	314.341	2.059	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1ccoc1C(=O)[O-]	ZINC000833063585	601590507	/nfs/dbraw/zinc/59/05/07/601590507.db2.gz	KCRFDQGQTRZNBS-GHXNOFRVSA-N	-2	3	313.265	2.334	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-]	ZINC001601045305	970921188	/nfs/dbraw/zinc/92/11/88/970921188.db2.gz	KIDLTXOHPZIIRE-XXYUJHKVSA-N	-2	3	314.341	2.155	20	50		DEGDHL
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)[C@H]1C(=O)[O-]	ZINC001589320345	953857770	/nfs/dbraw/zinc/85/77/70/953857770.db2.gz	HHELUIIHUJUUJP-KXPSEFJGSA-N	-2	3	314.341	2.011	20	50		DEGDHL
C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc([O-])cc2)[C@@H]1C(=O)[O-]	ZINC001589320349	953857969	/nfs/dbraw/zinc/85/79/69/953857969.db2.gz	HHELUIIHUJUUJP-ZGVOAXKLSA-N	-2	3	314.341	2.011	20	50		DEGDHL
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001589699244	987785230	/nfs/dbraw/zinc/78/52/30/987785230.db2.gz	CMMXJUDNLLEKOX-CEFACKQISA-N	-2	3	316.357	2.305	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)NC1(C(=O)[O-])CCCCC1	ZINC001594602221	956144669	/nfs/dbraw/zinc/14/46/69/956144669.db2.gz	TZKJPUPPDBIQMA-JLHYYAGUSA-N	-2	3	314.341	2.203	20	50		DEGDHL
CC(C)c1ccc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)c([O-])c1	ZINC001591942271	976468133	/nfs/dbraw/zinc/46/81/33/976468133.db2.gz	GTPAYGGRSIPVLX-UHFFFAOYSA-N	-2	3	315.329	2.366	20	50		DEGDHL
C=CCCC[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001588787622	984187678	/nfs/dbraw/zinc/18/76/78/984187678.db2.gz	WYYWWLDVZJQIND-VSKPTYQZSA-N	-2	3	314.341	2.225	20	50		DEGDHL
O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)c1ccccc1[O-]	ZINC000834185438	606079063	/nfs/dbraw/zinc/07/90/63/606079063.db2.gz	PNUSPLCWIGYSDS-LLVKDONJSA-N	-2	3	305.334	2.078	20	50		DEGDHL
COc1cc(C(=O)[O-])ccc1NNC(=O)c1ccc(C)cc1[O-]	ZINC001599376463	998493855	/nfs/dbraw/zinc/49/38/55/998493855.db2.gz	MPWPTQSFJWQYJP-UHFFFAOYSA-N	-2	3	316.313	2.164	20	50		DEGDHL
Cc1cc(C(=O)[N-]NC(=O)[O-])nc(-c2ccc(Cl)cc2)n1	ZINC000833898553	605846194	/nfs/dbraw/zinc/84/61/94/605846194.db2.gz	OTDNOOHDPYFABL-UHFFFAOYSA-N	-2	3	306.709	2.018	20	50		DEGDHL
Cc1cc(C)[n-]c(=NNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1	ZINC000820972227	955485976	/nfs/dbraw/zinc/48/59/76/955485976.db2.gz	CTAXXVMTFHGLKH-UHFFFAOYSA-N	-2	3	315.333	2.249	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001594601253	956132760	/nfs/dbraw/zinc/13/27/60/956132760.db2.gz	LXPFBFMKJFNZRQ-DHDCSXOGSA-N	-2	3	322.320	2.314	20	50		DEGDHL
CC(C)(CCC(=O)[O-])NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001609673771	970441945	/nfs/dbraw/zinc/44/19/45/970441945.db2.gz	CGAHIAMWDSXZII-FMIVXFBMSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC[C@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001594816008	981948837	/nfs/dbraw/zinc/94/88/37/981948837.db2.gz	YVVWAIQMTZTQSH-OQRGYWNNSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(=NNC(=O)c1ccc(C)cc1[O-])c1cc(C(=O)[O-])co1	ZINC001589012506	984992505	/nfs/dbraw/zinc/99/25/05/984992505.db2.gz	PIWBLCGPRSWDFP-UHFFFAOYSA-N	-2	3	302.286	2.146	20	50		DEGDHL
CC(C)C[C@@H](CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001591143695	991872197	/nfs/dbraw/zinc/87/21/97/991872197.db2.gz	BEACUWVGERNAEO-CZAWJFPGSA-N	-2	3	316.357	2.162	20	50		DEGDHL
Cc1c(NC(=O)NN=c2ccc(Cl)n[n-]2)cccc1C(=O)[O-]	ZINC000833741721	604723771	/nfs/dbraw/zinc/72/37/71/604723771.db2.gz	FXJKWCPXJGOOBF-UHFFFAOYSA-N	-2	3	321.724	2.285	20	50		DEGDHL
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)[C@H]1C(=O)[O-]	ZINC001589320347	953859094	/nfs/dbraw/zinc/85/90/94/953859094.db2.gz	HHELUIIHUJUUJP-PEZBLYKWSA-N	-2	3	314.341	2.011	20	50		DEGDHL
Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)c([O-])c1	ZINC000814810950	978887270	/nfs/dbraw/zinc/88/72/70/978887270.db2.gz	JSNCJHQMRTWXES-GHMZBOCLSA-N	-2	3	304.346	2.307	20	50		DEGDHL
O=C([O-])N[C@@H]1CCCCCC1=NNC(=O)c1ccc([O-])cc1	ZINC000834182235	606078787	/nfs/dbraw/zinc/07/87/87/606078787.db2.gz	ISSFDQCQZZTWGU-GFCCVEGCSA-N	-2	3	305.334	2.078	20	50		DEGDHL
CCc1cccc(C(=O)NNc2ccc(CC(=O)[O-])cc2)c1[O-]	ZINC001597577112	988372089	/nfs/dbraw/zinc/37/20/89/988372089.db2.gz	ZXPCKJBKXURFBG-UHFFFAOYSA-N	-2	3	314.341	2.339	20	50		DEGDHL
CC(C)CCC(=O)N[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001591213967	992068146	/nfs/dbraw/zinc/06/81/46/992068146.db2.gz	KSXDSQDVIOOURC-UHFFFAOYSA-N	-2	3	312.753	2.235	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-]	ZINC001601045300	970922041	/nfs/dbraw/zinc/92/20/41/970922041.db2.gz	KIDLTXOHPZIIRE-RNQWEJQRSA-N	-2	3	314.341	2.155	20	50		DEGDHL
CCCC[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001595634082	981881370	/nfs/dbraw/zinc/88/13/70/981881370.db2.gz	FVUTZYXADDYFIZ-UQTJOTSZSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(C)(C)CC(=O)N[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001589740874	988012581	/nfs/dbraw/zinc/01/25/81/988012581.db2.gz	NOQZEQNBUDWKEA-UHFFFAOYSA-N	-2	3	312.753	2.235	20	50		DEGDHL
O=C([O-])N[C@H]1CCCCCC1=NNC(=O)c1ccccc1[O-]	ZINC000834185440	606078970	/nfs/dbraw/zinc/07/89/70/606078970.db2.gz	PNUSPLCWIGYSDS-NSHDSACASA-N	-2	3	305.334	2.078	20	50		DEGDHL
CC(=NNC(=O)c1ccc([O-])cc1)c1cc(C(=O)[O-])cs1	ZINC000814691658	978873713	/nfs/dbraw/zinc/87/37/13/978873713.db2.gz	LLTVNHPGPUYOAB-UHFFFAOYSA-N	-2	3	304.327	2.306	20	50		DEGDHL
CCc1ccc([O-])c(C(=O)NNc2ccc(CC(=O)[O-])cc2)c1	ZINC001597555835	988283351	/nfs/dbraw/zinc/28/33/51/988283351.db2.gz	AVJOCDLTOWFIKM-UHFFFAOYSA-N	-2	3	314.341	2.339	20	50		DEGDHL
CC(C)N(CCC(=O)[O-])C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001591576080	992789143	/nfs/dbraw/zinc/78/91/43/992789143.db2.gz	YOSWEDQOQPFLSQ-UKTHLTGXSA-N	-2	3	302.330	2.011	20	50		DEGDHL
O=C([O-])Nc1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1	ZINC000834261124	605658328	/nfs/dbraw/zinc/65/83/28/605658328.db2.gz	BDWLXEVYLDPHME-UHFFFAOYSA-N	-2	3	322.712	2.369	20	50		DEGDHL
Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)c([O-])c1	ZINC000814810953	978887438	/nfs/dbraw/zinc/88/74/38/978887438.db2.gz	JSNCJHQMRTWXES-WDEREUQCSA-N	-2	3	304.346	2.307	20	50		DEGDHL
O=C([O-])NN=C([O-])N[C@@H](CC(F)(F)F)c1ccc(F)cc1	ZINC000834250481	605542083	/nfs/dbraw/zinc/54/20/83/605542083.db2.gz	JJQMPFXAHMITHB-QMMMGPOBSA-N	-2	3	309.219	2.301	20	50		DEGDHL
CC(C)[C@H](C(=O)[O-])C(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001602969987	971964866	/nfs/dbraw/zinc/96/48/66/971964866.db2.gz	IKQAFLOLOMAHFQ-JTQLQIEISA-N	-2	3	320.374	2.092	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1occc1C(=O)[O-]	ZINC000833064190	601141522	/nfs/dbraw/zinc/14/15/22/601141522.db2.gz	PKEQHOCNUZUDAF-XFFZJAGNSA-N	-2	3	313.265	2.334	20	50		DEGDHL
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001603379953	972944928	/nfs/dbraw/zinc/94/49/28/972944928.db2.gz	ATOKIUUDSSAWGD-NIAXFYKXSA-N	-2	3	314.341	2.011	20	50		DEGDHL
CC[C@@](C)(CC(=O)[O-])NC(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001594816009	981948770	/nfs/dbraw/zinc/94/87/70/981948770.db2.gz	YVVWAIQMTZTQSH-RCLKMUNOSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(C)C[C@@H](CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001591143698	991871742	/nfs/dbraw/zinc/87/17/42/991871742.db2.gz	BEACUWVGERNAEO-MQJVFOOVSA-N	-2	3	316.357	2.162	20	50		DEGDHL
CC(=NNC(=O)c1ccc(C)cc1[O-])[C@H]1CCCCN1C(=O)[O-]	ZINC000823532146	604088125	/nfs/dbraw/zinc/08/81/25/604088125.db2.gz	HDEPKDYAXHXEGS-CYBMUJFWSA-N	-2	3	319.361	2.339	20	50		DEGDHL
CC(C)[C@@H](C(=O)[O-])C(=O)NNc1nc2ccccc2[n-]c1=S	ZINC001602969992	971964781	/nfs/dbraw/zinc/96/47/81/971964781.db2.gz	IKQAFLOLOMAHFQ-SNVBAGLBSA-N	-2	3	320.374	2.092	20	50		DEGDHL
O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccc([O-])cc3)c2c1	ZINC000740191281	978672309	/nfs/dbraw/zinc/67/23/09/978672309.db2.gz	YDHYLAIXLGLGDI-UHFFFAOYSA-N	-2	3	323.308	2.336	20	50		DEGDHL
CCCC[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001595634080	981881610	/nfs/dbraw/zinc/88/16/10/981881610.db2.gz	FVUTZYXADDYFIZ-FWLQQBITSA-N	-2	3	302.330	2.059	20	50		DEGDHL
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001603379954	972944285	/nfs/dbraw/zinc/94/42/85/972944285.db2.gz	ATOKIUUDSSAWGD-OZMFCKRTSA-N	-2	3	314.341	2.011	20	50		DEGDHL
CC(C)(C)OC(=O)N[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC001590232637	989607577	/nfs/dbraw/zinc/60/75/77/989607577.db2.gz	JMIUEFKMEJVWCG-UHFFFAOYSA-N	-2	3	314.725	2.208	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1ccoc1C(=O)[O-]	ZINC000833063587	601590647	/nfs/dbraw/zinc/59/06/47/601590647.db2.gz	KCRFDQGQTRZNBS-KPKJPENVSA-N	-2	3	313.265	2.334	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)OCc1cc(C(=O)[O-])co1	ZINC000833063572	601590659	/nfs/dbraw/zinc/59/06/59/601590659.db2.gz	KABYBJAQUFGSMD-WZUFQYTHSA-N	-2	3	313.265	2.334	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001574475022	961642860	/nfs/dbraw/zinc/64/28/60/961642860.db2.gz	VSKHXXPRRXNTNR-ZROIWOOFSA-N	-2	3	322.320	2.314	20	50		DEGDHL
CC(C)(CCC(=O)[O-])NC(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001609673772	970441821	/nfs/dbraw/zinc/44/18/21/970441821.db2.gz	CGAHIAMWDSXZII-XFXZXTDPSA-N	-2	3	302.330	2.059	20	50		DEGDHL
CC(=NNC(=O)c1ccccc1[O-])[C@H]1CCCCN1C(=O)[O-]	ZINC000823532091	604085554	/nfs/dbraw/zinc/08/55/54/604085554.db2.gz	GLABAYHEMMKFRX-GFCCVEGCSA-N	-2	3	305.334	2.030	20	50		DEGDHL
CC(C)C[C@H](CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001591143699	991872113	/nfs/dbraw/zinc/87/21/13/991872113.db2.gz	BEACUWVGERNAEO-YLHGKKIISA-N	-2	3	316.357	2.162	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccccc1C(=O)[O-]	ZINC001574475020	961642886	/nfs/dbraw/zinc/64/28/86/961642886.db2.gz	VSKHXXPRRXNTNR-NTEUORMPSA-N	-2	3	322.320	2.314	20	50		DEGDHL
C=CCCC[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001588787621	984187210	/nfs/dbraw/zinc/18/72/10/984187210.db2.gz	WYYWWLDVZJQIND-VOMSXAGXSA-N	-2	3	314.341	2.225	20	50		DEGDHL
CCc1oc(C=NNC(=O)c2ccc([O-])cc2)cc1C(=O)[O-]	ZINC001597792867	989335910	/nfs/dbraw/zinc/33/59/10/989335910.db2.gz	KJPGXERCZHDALF-UHFFFAOYSA-N	-2	3	302.286	2.010	20	50		DEGDHL
C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001603379952	972944699	/nfs/dbraw/zinc/94/46/99/972944699.db2.gz	ATOKIUUDSSAWGD-HRQBQTGPSA-N	-2	3	314.341	2.011	20	50		DEGDHL
O=C([O-])c1ccc2[nH]cc(C=NNC(=O)c3ccccc3[O-])c2c1	ZINC000740190732	978672264	/nfs/dbraw/zinc/67/22/64/978672264.db2.gz	PVUFLRWBIQSHSH-UHFFFAOYSA-N	-2	3	323.308	2.336	20	50		DEGDHL
CCCC[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001595634081	981881764	/nfs/dbraw/zinc/88/17/64/981881764.db2.gz	FVUTZYXADDYFIZ-TZIYXEQSSA-N	-2	3	302.330	2.059	20	50		DEGDHL
Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)c([O-])c1	ZINC000814810951	978887334	/nfs/dbraw/zinc/88/73/34/978887334.db2.gz	JSNCJHQMRTWXES-MNOVXSKESA-N	-2	3	304.346	2.307	20	50		DEGDHL
CC(C[C@@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccccc1[O-]	ZINC000824760127	605456968	/nfs/dbraw/zinc/45/69/68/605456968.db2.gz	SEJPCVAISVZBRE-NSHDSACASA-N	-2	3	305.334	2.030	20	50		DEGDHL
CC(C)(C)CN(CC(=O)[O-])C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001588651455	959771097	/nfs/dbraw/zinc/77/10/97/959771097.db2.gz	DJQSBDUDWBHVBW-MDWZMJQESA-N	-2	3	316.357	2.258	20	50		DEGDHL
CC(C)(C)CN(CC(=O)[O-])C(=O)/C(C#N)=C\c1ccc([O-])cc1	ZINC001588651454	959771797	/nfs/dbraw/zinc/77/17/97/959771797.db2.gz	DJQSBDUDWBHVBW-JYRVWZFOSA-N	-2	3	316.357	2.258	20	50		DEGDHL
Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)c([O-])c1	ZINC000814810952	978887259	/nfs/dbraw/zinc/88/72/59/978887259.db2.gz	JSNCJHQMRTWXES-QWRGUYRKSA-N	-2	3	304.346	2.307	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC001594601255	956132856	/nfs/dbraw/zinc/13/28/56/956132856.db2.gz	LXPFBFMKJFNZRQ-OQLLNIDSSA-N	-2	3	322.320	2.314	20	50		DEGDHL
C=CCCC[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-]	ZINC001588787620	984186974	/nfs/dbraw/zinc/18/69/74/984186974.db2.gz	WYYWWLDVZJQIND-NRMKIYEFSA-N	-2	3	314.341	2.225	20	50		DEGDHL
C=CCCC[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-]	ZINC001588787623	984187631	/nfs/dbraw/zinc/18/76/31/984187631.db2.gz	WYYWWLDVZJQIND-WVUXNXBLSA-N	-2	3	314.341	2.225	20	50		DEGDHL
O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1c(F)cccc1Cl	ZINC001595261732	949672266	/nfs/dbraw/zinc/67/22/66/949672266.db2.gz	HUYOGIQTROCOSX-UHFFFAOYSA-N	-2	3	309.684	2.329	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)NC1CCC(C(=O)[O-])CC1	ZINC001594601683	956137555	/nfs/dbraw/zinc/13/75/55/956137555.db2.gz	PROATPDEGGLOKM-LCYFTJDESA-N	-2	3	314.341	2.059	20	50		DEGDHL
N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1cc(C(=O)[O-])ccn1	ZINC001605576225	973845261	/nfs/dbraw/zinc/84/52/61/973845261.db2.gz	KEXHDQSQBUCRKK-GHXNOFRVSA-N	-2	3	309.281	2.031	20	50		DEGDHL
N#C/C(=C\c1ccc([O-])cc1)C(=O)OCc1cc(C(=O)[O-])co1	ZINC000833063431	601590638	/nfs/dbraw/zinc/59/06/38/601590638.db2.gz	KABYBJAQUFGSMD-VZUCSPMQSA-N	-2	3	313.265	2.334	20	50		DEGDHL
C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc([O-])cc2)[C@@H]1C(=O)[O-]	ZINC001589320342	953858200	/nfs/dbraw/zinc/85/82/00/953858200.db2.gz	HHELUIIHUJUUJP-AATVDUDFSA-N	-2	3	314.341	2.011	20	50		DEGDHL
CCc1ccc([O-])c(C(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC001597556877	988292281	/nfs/dbraw/zinc/29/22/81/988292281.db2.gz	XNHNXXAMDRSAJX-UHFFFAOYSA-N	-2	3	300.314	2.410	20	50		DEGDHL
C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C(C#N)=C/c1ccc([O-])cc1	ZINC001603379955	972944682	/nfs/dbraw/zinc/94/46/82/972944682.db2.gz	ATOKIUUDSSAWGD-SSFKREKASA-N	-2	3	314.341	2.011	20	50		DEGDHL
O=C([O-])CCCC(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl	ZINC000014013112	957095763	/nfs/dbraw/zinc/09/57/63/957095763.db2.gz	BJIGODMRCPSBRS-UHFFFAOYSA-N	-2	3	319.144	2.009	20	50		DEGDHL
CC(=NNC(=O)c1ccc([O-])cc1)[C@@H]1CCCCN1C(=O)[O-]	ZINC000823533733	604085517	/nfs/dbraw/zinc/08/55/17/604085517.db2.gz	UNSWQOAFYVBSIQ-ZDUSSCGKSA-N	-2	3	305.334	2.030	20	50		DEGDHL
CC(C[C@H]1CCCN1C(=O)[O-])=NNC(=O)c1ccc([O-])cc1	ZINC000824759413	605457188	/nfs/dbraw/zinc/45/71/88/605457188.db2.gz	LNNWECBXHKMVGL-GFCCVEGCSA-N	-2	3	305.334	2.030	20	50		DEGDHL